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Sample records for singly charged metabolites

  1. Hydrophobicity and charge shape cellular metabolite concentrations.

    Directory of Open Access Journals (Sweden)

    Arren Bar-Even

    2011-10-01

    Full Text Available What governs the concentrations of metabolites within living cells? Beyond specific metabolic and enzymatic considerations, are there global trends that affect their values? We hypothesize that the physico-chemical properties of metabolites considerably affect their in-vivo concentrations. The recently achieved experimental capability to measure the concentrations of many metabolites simultaneously has made the testing of this hypothesis possible. Here, we analyze such recently available data sets of metabolite concentrations within E. coli, S. cerevisiae, B. subtilis and human. Overall, these data sets encompass more than twenty conditions, each containing dozens (28-108 of simultaneously measured metabolites. We test for correlations with various physico-chemical properties and find that the number of charged atoms, non-polar surface area, lipophilicity and solubility consistently correlate with concentration. In most data sets, a change in one of these properties elicits a ~100 fold increase in metabolite concentrations. We find that the non-polar surface area and number of charged atoms account for almost half of the variation in concentrations in the most reliable and comprehensive data set. Analyzing specific groups of metabolites, such as amino-acids or phosphorylated nucleotides, reveals even a higher dependence of concentration on hydrophobicity. We suggest that these findings can be explained by evolutionary constraints imposed on metabolite concentrations and discuss possible selective pressures that can account for them. These include the reduction of solute leakage through the lipid membrane, avoidance of deleterious aggregates and reduction of non-specific hydrophobic binding. By highlighting the global constraints imposed on metabolic pathways, future research could shed light onto aspects of biochemical evolution and the chemical constraints that bound metabolic engineering efforts.

  2. Nuclear structure and the single charge exchange

    International Nuclear Information System (INIS)

    Oset, E.; Strottman, D.

    1979-01-01

    The influence of nuclear structure on meson-induced single-charge-exchange reactions on light nuclei is discussed within the context of the Glauber approximation. Selection rules which are expected to be approximately obeyed in elastic and inelastic pion and kaon scattering are proposed. Theoretical predictions are presented for (π + ,π 0 ) and (K + ,K 0 ) reactions on 13 C. 14 figures

  3. Gas-Phase Stability of Negatively Charged Organophosphate Metabolites Produced by Electrospray Ionization and Matrix-Assisted Laser Desorption/Ionization

    Science.gov (United States)

    Asakawa, Daiki; Mizuno, Hajime; Toyo'oka, Toshimasa

    2017-12-01

    The formation mechanisms of singly and multiply charged organophosphate metabolites by electrospray ionization (ESI) and their gas phase stabilities were investigated. Metabolites containing multiple phosphate groups, such as adenosine 5'-diphosphate (ADP), adenosine 5'-triphosphate (ATP), and D- myo-inositol-1,4,5-triphosphate (IP3) were observed as doubly deprotonated ions by negative-ion ESI mass spectrometry. Organophosphates with multiple negative charges were found to be unstable and often underwent loss of PO3 -, although singly deprotonated analytes were stable. The presence of fragments due to the loss of PO3 - in the negative-ion ESI mass spectra could result in the misinterpretation of analytical results. In contrast to ESI, matrix-assisted laser desorption ionization (MALDI) produced singly charged organophosphate metabolites with no associated fragmentation, since the singly charged anions are stable. The stability of an organophosphate metabolite in the gas phase strongly depends on its charge state. The fragmentations of multiply charged organophosphates were also investigated in detail through density functional theory calculations. [Figure not available: see fulltext.

  4. Charge transport in single crystal organic semiconductors

    Science.gov (United States)

    Xie, Wei

    Organic electronics have engendered substantial interest in printable, flexible and large-area applications thanks to their low fabrication cost per unit area, chemical versatility and solution processability. Nevertheless, fundamental understanding of device physics and charge transport in organic semiconductors lag somewhat behind, partially due to ubiquitous defects and impurities in technologically useful organic thin films, formed either by vacuum deposition or solution process. In this context, single-crystalline organic semiconductors, or organic single crystals, have therefore provided the ideal system for transport studies. Organic single crystals are characterized by their high chemical purity and outstanding structural perfection, leading to significantly improved electrical properties compared with their thin-film counterparts. Importantly, the surfaces of the crystals are molecularly flat, an ideal condition for building field-effect transistors (FETs). Progress in organic single crystal FETs (SC-FETs) is tremendous during the past decade. Large mobilities ~ 1 - 10 cm2V-1s-1 have been achieved in several crystals, allowing a wide range of electrical, optical, mechanical, structural, and theoretical studies. Several challenges still remain, however, which are the motivation of this thesis. The first challenge is to delineate the crystal structure/electrical property relationship for development of high-performance organic semiconductors. This thesis demonstrates a full spectrum of studies spanning from chemical synthesis, single crystal structure determination, quantum-chemical calculation, SC-OFET fabrication, electrical measurement, photoelectron spectroscopy characterization and extensive device optimization in a series of new rubrene derivatives, motivated by the fact that rubrene is a benchmark semiconductor with record hole mobility ~ 20 cm2V-1s-1. With successful preservation of beneficial pi-stacking structures, these rubrene derivatives form

  5. Heat dissipation in relativistic single charged fluids

    Science.gov (United States)

    Garcia-Perciante, A. L.; Sandoval-Villalbazo, A.; Brun-Battistini, D.

    2015-11-01

    When the temperature of a fluid is increased its out of equilibrium behavior is significantly modified. In particular kinetic theory predicts that the heat flux is not solely driven by a temperature gradient but can also be coupled to other thermodynamic vector forces. We explore the nature of heat conduction in a single component charged fluid in special relativity, where the electromagnetic field is introduced as an external force. We obtain an electrothermal effect, similar to the mixture's cross-effect, which is not present in the non-relativistic simple fluid. The general lines of the corresponding calculation will be shown, emphasizing the importance of reference frame invariance and the origin of the extra heat sources, in particular the role of the modified inertia and the difference in fluid's and molecules' proper times. The constitutive equation for the heat flux obtained using Chapman-Enskog's expansion in Marle's approximation will be analyzed together with the corresponding transport coefficients.The impact of this effect in the overall dynamics of the system here considered will be briefly discussed. The authors acknowledge support from CONACyT through grant CB2011/167563.

  6. Charge exchange between singly ionized helium ions

    International Nuclear Information System (INIS)

    Choi, B.H.; Poe, R.T.; Tang, K.T.

    1978-01-01

    The plane-wave Born approximation was used to evaluate the charge transfer cross sections for the reaction He + + He + → He ++ + He. The charge transfer cross section is graphed as a function of incident energy and compared with experimental measurements

  7. Mass Spectrometric Method for Analyzing Metabolites in Yeast with Single Cell Sensitivity

    NARCIS (Netherlands)

    Amantonico, Andrea; Oh, Joo Yeon; Sobek, Jens; Heinemann, Matthias; Zenobi, Renato

    2008-01-01

    Getting a look-in: An optimized MALDI-MS procedure has been developed to detect endogenous primary metabolites directly in the cell extract. A detection limit corresponding to metabolites from less than a single cell has been attained, opening the door to single-cell metabolomics by mass

  8. Single Gold Nanorod Charge Modulation in an Ion Gel Device.

    Science.gov (United States)

    Collins, Sean S E; Wei, Xingzhan; McKenzie, Thomas G; Funston, Alison M; Mulvaney, Paul

    2016-11-09

    A reliable and reproducible method to rapidly charge single gold nanocrystals in a solid-state device is reported. Gold nanorods (Au NRs) were integrated into an ion gel capacitor, enabling them to be charged in a transparent and highly capacitive device, ideal for optical transmission. Changes in the electron concentration of a single Au NR were observed with dark-field imaging spectroscopy via localized surface plasmon resonance (LSPR) shifts in the scattering spectrum. A time-resolved, laser-illuminated, dark-field system was developed to enable direct measurement of single particle charging rates with time resolution below one millisecond. The added sensitivity of this new approach has enabled the optical detection of fewer than 110 electrons on a single Au NR. Single wavelength resonance shifts provide a much faster, more sensitive method for all surface plasmon-based sensing applications.

  9. Single- and double-charge exchange at low pion energies

    International Nuclear Information System (INIS)

    Baer, H.W.

    1991-01-01

    A review is given of pion single- and double-charge exchange reactions at incident energies of 25 to 65 MeV leading to isobaric analog states, and in the case of double-charge exchange leading to the ground state of the residual nucleus. The crucial role of the higher nuclear transparency at low pion energies for the analysis of the data in terms of single and double scattering is demonstrated. The large effects on double-charge exchange produced by the spatial correlations in nuclear wave functions are evident. The data on 1f 7/2 nuclei at 35 MeV are used to establish the general validity of a shell-model-based two-amplitude model for these transitions. Recent measurements of the energy dependence between 25 and 65 MeV of double-charge exchange cross sections at forward angles are presented and discussed. 33 refs., 19 figs

  10. Charge transient spectroscopy of C 60 single crystals

    Science.gov (United States)

    Baranc̆ok, D.; Halus̆ka, M.; Kuzmany, H.; Nádaz̆dy, V.

    1994-01-01

    Suitability of the charge transient spectroscopy — QTS for the investigation of fullerites is demonstrated. QTS can yield an information on the electrical properties of both the bulk and the interface of fullerites interfaced with metals (insulators, semiconductors) as well as on its bulk phase transition. Our measurements were carried out on C60 single crystals. We observed a single QTS peak which reflects most probably a thermally activated relaxation process (polarization or trap - limited charge emission) in the crystal. The expected phase transition was detected as a step of QTS signal at 255 K. The influence of a thermal treatment in air on the QTS peak was also observed.

  11. Multiplexed detection of metabolites of narcotic drugs from a single latent fingermark.

    Science.gov (United States)

    Hazarika, Pompi; Jickells, Sue M; Wolff, Kim; Russell, David A

    2010-11-15

    An immunoassay based technique is used for the detection of psychoactive substances in the sweat deposited within fingermarks of a narcotic drug user. Magnetic particles functionalized with antimorphine and antibenzoylecgonine antibodies were used for the detection of a metabolite of heroin (morphine) and a metabolite of cocaine (benzoylecgonine), respectively. The drug metabolites were detected individually as well as simultaneously from a single fingermark. The images of the fingermarks obtained using brightfield and fluorescence microscopy were of high evidential quality with resolution to enable identification of an individual in addition to providing information on drug usage.

  12. Single-charge tunneling in ambipolar silicon quantum dots

    NARCIS (Netherlands)

    Müller, Filipp

    2015-01-01

    Spin qubits in coupled quantum dots (QDs) are promising for future quantum information processing (QIP). A quantum bit (qubit) is the quantum mechanical analogon of a classical bit. In general, each quantum mechanical two-level system can represent a qubit. For the spin of a single charge carrier

  13. Single-sheet identification method of heavy charged particles using ...

    Indian Academy of Sciences (India)

    of the single-sheet particle identification technique in CR-39 and CN-85 polycarbonate by plotting track cone length ... in neutron dosimetry, gamma and cosmic rays detection, heavy ion and nuclear physics and corpuscular ..... [13] R P Henke and E V Benton, Charged particle tracks in polymers: No. 5-A com- puter code for ...

  14. Surface charge modulated aptasensor in a single glass conical nanopore.

    Science.gov (United States)

    Cai, Sheng-Lin; Cao, Shuo-Hui; Zheng, Yu-Bin; Zhao, Shuang; Yang, Jin-Lei; Li, Yao-Qun

    2015-09-15

    In this work, we have proposed a label-free nanopore-based biosensing strategy for protein detection by performing the DNA-protein interaction inside a single glass conical nanopore. A lysozyme binding aptamer (LBA) was used to functionalize the walls of glass nanopore via siloxane chemistry and negatively charged recognition sites were thus generated. The covalent modification procedures and their recognition towards lysozyme of the single conical nanopore were characterized via ionic current passing through the nanopore membrane, which was measured by recording the current-voltage (I-V) curves in 1mM KCl electrolyte at pH=7.4. With the occurring of recognition event, the negatively charged wall was partially neutralized by the positively charged lysozyme molecules, leading to a sensitive change of the surface charge-dependent current-voltage (I-V) characteristics. Our results not only demonstrate excellent selectivity and sensitivity towards the target protein, but also suggest a route to extend this nanopore-based sensing strategy to the biosensing platform designs of a wide range of proteins based on a charge modulation. Copyright © 2015 Elsevier B.V. All rights reserved.

  15. Synthesis and single crystal X-ray analysis of two griseofulvin metabolites

    DEFF Research Database (Denmark)

    Rønnest, Mads Holger; Harris, Pernille; Gotfredsen, Charlotte Held

    2010-01-01

    The two phenols, 6-O-desmethyl griseofulvin and 4-O-desmethyl griseofulvin are metabolites of the antifungal drug griseofulvin. Herein, we present an improved synthesis of the 6-phenol derivative, and an unequivocal proof of both structures by single-crystal X-ray analysis.......The two phenols, 6-O-desmethyl griseofulvin and 4-O-desmethyl griseofulvin are metabolites of the antifungal drug griseofulvin. Herein, we present an improved synthesis of the 6-phenol derivative, and an unequivocal proof of both structures by single-crystal X-ray analysis....

  16. Deposition of diazepam and its metabolites in hair following a single dose of diazepam

    DEFF Research Database (Denmark)

    Wang, Xin; Johansen, Sys Stybe; Zhang, Yurong

    2017-01-01

    not detected. Diazepam and nordazepam levels at 10 months post-exposure were extremely low (near the LOQ), indicating drug loss by personal hygiene and physical handling. To our knowledge, this is the first single-dose diazepam study using black hair and the first study to include measurements of oxazepam......Only sporadic data are available on hair concentrations of diazepam and some of its metabolites (nordazepam, oxazepam, and temazepam) following a single controlled dose. The aim of this study was to investigate the deposition of diazepam and its metabolites in human hair after eight healthy...... volunteers (four women and four men, ages 24-26, East Asian) consumed 10 mg of diazepam. Hair was collected from all volunteers 1 month after exposure, and also 2 months post-exposure from men and 10 months post-exposure from women. Diazepam and the complete metabolite profile, including oxazepam glucuronide...

  17. Spin and charge transport study in single crystal organic semiconductors

    Science.gov (United States)

    Raman, Karthik V.; Mulder, Carlijn L.; Baldo, Marc A.; Moodera, Jagadeesh S.

    2009-03-01

    Spin transport studies in amorphous rubrene films have shown exciting and promising results [1]. A large spin diffusion length in these amorphous films has increased the motivation to perform spin transport study in high purity single crystal rubrene. This will provide the fundamental understanding on the spin transport behavior in OS; not influenced by defects or traps. We will present work on small channel single crystal rubrene FET device with magnetic electrodes. For example, our preliminary studies have show mobility for FET with Co electrode to be 0.014cm^2/V-s. A study on the spin and charge transport properties in single crystals of OS with magnetic electrodes is being done and the results will be reported. The influence of gate voltage and applied magnetic field on the transport properties will be discussed. [1] J.H. Shim et al., PRL 100, 226603 (2008)

  18. A compact source for bunches of singly charged atomic ions

    Science.gov (United States)

    Murböck, T.; Schmidt, S.; Andelkovic, Z.; Birkl, G.; Nörtershäuser, W.; Vogel, M.

    2016-04-01

    We have built, operated, and characterized a compact ion source for low-energy bunches of singly charged atomic ions in a vacuum beam line. It is based on atomic evaporation from an electrically heated oven and ionization by electron impact from a heated filament inside a grid-based ionization volume. An adjacent electrode arrangement is used for ion extraction and focusing by applying positive high-voltage pulses to the grid. The method is particularly suited for experimental environments which require low electromagnetic noise. It has proven simple yet reliable and has been used to produce μs-bunches of up to 106 Mg+ ions at a repetition rate of 1 Hz. We present the concept, setup and characterizing measurements. The instrument has been operated in the framework of the SpecTrap experiment at the HITRAP facility at GSI/FAIR to provide Mg+ ions for sympathetic cooling of highly charged ions by laser-cooled 24Mg+.

  19. Inclusive photoproduction of single charged particles at high p T

    Science.gov (United States)

    Apsimon, R. J.; Atkinson, M.; Baake, M.; Bagdasarian, L. S.; Barberis, D.; Brodbeck, T. J.; Brook, N.; Charity, T.; Clegg, A. B.; Coyle, P.; Danaher, S.; Danagulian, S.; Davenport, M.; Dickinson, B.; Diekmann, B.; Donnachie, A.; Doyle, A. T.; Eades, J.; Ellison, R. J.; Flower, P. S.; Foster, J. M.; Galbraith, W.; Galumian, P. I.; Gapp, C.; Gebert, F.; Hallewell, G.; Heinloth, K.; Henderson, R. C. W.; Hickman, M. T.; Hoeger, C.; Holzkamp, S.; Hughes-Jones, R. E.; Ibbotson, M.; Jakob, H. P.; Joseph, D.; Keemer, N. R.; Kingler, J.; Koersgen, G.; Kolya, S. D.; Lafferty, G. D.; McCann, H.; McClatchey, R.; McManus, C.; Mercer, D.; Morris, J. A. G.; Morris, J. V.; Newton, D.; O'Connor, A.; Oedingen, R.; Oganesian, A. G.; Ottewell, P. J.; Paterson, C. N.; Paul, E.; Reid, D.; Rotscheidt, H.; Sharp, P. H.; Soeldner-Rembold, S.; Thacker, N. A.; Thompson, L.; Thompson, R. J.; Voigtlaender-Tetzner, A.; Waterhouse, J.; Weigend, A. S.; Wilson, G. W.

    1989-03-01

    Single charged-particle inclusive cross sections for photon, pion and kaon beams on hydrogen at the CERN-SPS are presented as functions of p T and x F . Data cover the range 0.01.6 GeV/c for the photon-induced data. Using the hadron-induced data to estimate the hadronic behaviour of the photon, the difference distributions and ratios of cross sections are a measure of the contribution of the point-like photon interactions. The data are compared with QCD calculations and show broadly similar features.

  20. Light-Induced Charge Transport within a Single Asymmetric Nanowire

    Energy Technology Data Exchange (ETDEWEB)

    LIU, CHONG; HWANG, YUN YEONG; JEONG, HOON EIU; YANG, PEIDONG

    2011-01-21

    Artificial photosynthetic systems using semiconductor materials have been explored for more than three decades in order to store solar energy in chemical fuels such as hydrogen. By mimicking biological photosynthesis with two light-absorbing centers that relay excited electrons in a nanoscopic space, a dual-band gap photoelectrochemical (PEC) system is expected to have higher theoretical energy conversion efficiency than a single band gap system. This work demonstrates the vectorial charge transport of photo-generated electrons and holes within a single asymmetric Si/TiO2 nanowire using Kelvin probe force microscopy (KPFM). Under UV illumination, higher surface potential was observed on the n-TiO₂ side, relative to the potential of the p-Si side, as a result of majority carriers’ recombination at the Si/TiO₂ interface. These results demonstrate a new approach to investigate charge separation and transport in a PEC system. This asymmetric nanowire heterostructure, with a dual band gap configuration and simultaneously exposed anode and cathode surfaces represents an ideal platform for the development of technologies for the generation of solar fuels, although better photoanode materials remain to be discovered.

  1. Deposition of diazepam and its metabolites in hair following a single dose of diazepam.

    Science.gov (United States)

    Wang, Xin; Johansen, Sys Stybe; Zhang, Yurong; Jia, Jingying; Rao, Yulan; Jiang, Fengli; Linnet, Kristian

    2017-01-01

    Only sporadic data are available on hair concentrations of diazepam and some of its metabolites (nordazepam, oxazepam, and temazepam) following a single controlled dose. The aim of this study was to investigate the deposition of diazepam and its metabolites in human hair after eight healthy volunteers (four women and four men, ages 24-26, East Asian) consumed 10 mg of diazepam. Hair was collected from all volunteers 1 month after exposure, and also 2 months post-exposure from men and 10 months post-exposure from women. Diazepam and the complete metabolite profile, including oxazepam glucuronide and temazepam glucuronide, were measured by ultra-high pressure liquid chromatography-tandem mass spectrometry (UHPLC-MS/MS) with limits of quantifications (LOQs) of 0.5-2.5 pg/mg for diazepam, nordazepam, oxazepam, and temazepam, and of 10 pg/mg for oxazepam glucuronide and temazepam glucuronide. There were no differences by gender in the amounts of diazepam or metabolites found. The concentration of the main metabolite nordazepam was consistently higher than that of diazepam at both 1 and 2 months after consumption. Oxazepam and temazepam traces were found in some volunteers' hair, but the glucuronides were not detected. Diazepam and nordazepam levels at 10 months post-exposure were extremely low (near the LOQ), indicating drug loss by personal hygiene and physical handling. To our knowledge, this is the first single-dose diazepam study using black hair and the first study to include measurements of oxazepam glucuronide and temazepam glucuronide in human hair.

  2. Measuring charge density of electron beam single nanosecond pulses

    International Nuclear Information System (INIS)

    Gonchar, A.I.; Nesterenko, V.S.; Fazkullin, V.A.

    1982-01-01

    A description is presented of a probe design and electrometric repeater circuit and technique for measuring the charge (current) density of electron beam single pulses by integrating current at a reference capacitor with a subsequent registering of voltage across the capacitor. The probe consists of a band-type signal electrodes and two oval cross-section sleeves: external and internal with larger and smaller rectangular openings, respectively. The external sleeve has antidynatron grid located over the hole. The design employs integer nickel sleever - the cores of electron tube cathodes. The signal electrode is made of nickel band 0.15 mm thick. The probe elements are insulated from each other along the whole length with a layer of teflon band (30 μm), with rectangular openings cut in compliance with the sleeve openings. The measurement range is from 0.4x10 - 9 to 1x10 - 7 C/cm 2 . The rated accuracy of measurements is no worse than +-5% for the beam energy of 0.2 to 3 KeV. The ultimate parameters the charge density - 6 C/cm 2 and direct current density 3 mA/cm 2 - are specified by the breakdown voltage (200 V) of the input capacitor and probe insulation

  3. Intrinsic Charge Carrier Mobility in Single-Layer Black Phosphorus.

    Science.gov (United States)

    Rudenko, A N; Brener, S; Katsnelson, M I

    2016-06-17

    We present a theory for single- and two-phonon charge carrier scattering in anisotropic two-dimensional semiconductors applied to single-layer black phosphorus (BP). We show that in contrast to graphene, where two-phonon processes due to the scattering by flexural phonons dominate at any practically relevant temperatures and are independent of the carrier concentration n, two-phonon scattering in BP is less important and can be considered negligible at n≳10^{13}  cm^{-2}. At smaller n, however, phonons enter in the essentially anharmonic regime. Compared to the hole mobility, which does not exhibit strong anisotropy between the principal directions of BP (μ_{xx}/μ_{yy}∼1.4 at n=10^{13} cm^{-2} and T=300  K), the electron mobility is found to be significantly more anisotropic (μ_{xx}/μ_{yy}∼6.2). Absolute values of μ_{xx} do not exceed 250 (700)  cm^{2} V^{-1} s^{-1} for holes (electrons), which can be considered as an upper limit for the mobility in BP at room temperature.

  4. Nuclear isovector giant resonances excited by pion single charge exchange

    International Nuclear Information System (INIS)

    King, B.H.

    1993-07-01

    This thesis is an experimental study of isovector giant resonances in light nuclei excited by pion single charge exchange reactions. Giant dipole resonances in light nuclei are known to be highly structured. For the mass 9 and 13 giant dipole resonances, isospin considerations were found to be very important to understanding this structure. by comparing the excitation functions from cross section measurements of the (π + , π 0 ) and (π, π 0 ) inclusive reactions, the authors determined the dominant isospin structure of the analog IVGR's. The comparison was made after decomposing the cross section into resonant and non-resonant components. This decomposition is made in the framework of strong absorption and quasi-free scattering. Measurements in the region of the isovector giant dipole resonances (IVGDR) were made to cover the inclusive angular distributions out to the second minimum. Study of the giant resonance decay process provides further understanding of the resonances. This study was carried out by observing the (π + , π 0 p) coincident reactions involving the resonances of 9 B and 13 N excited from 9 Be and 13 C nuclei. These measurements determined the spectra of the decay protons. This method also permitted a decomposition of the giant resonances into their isospin components. The multipolarities of the resonances were revealed by the decay proton angular correlations which, for dipoles, are of the form 1 + A 2 P 2 (cos θ)

  5. Single-Bunch Stability With Direct Space Charge

    CERN Multimedia

    Oeftiger, Adrian

    2017-01-01

    Previous studies have shown the suppressing effect of direct space charge on impedance-driven head-tail instabilities. The present work investigates transverse stability for the HL-LHC scenario based on our macro-particle simulation tool PyHEADTAIL using realistic bunch distributions. The impact of selfconsistent modelling is briefly discussed for non-linear space charge forces. We study how space charge pushes the instability threshold for the transverse mode coupling instability (TMCI) occurring between mode 0 and -1. Next we consider finite chromaticity: in absence of space charge, the impedance model predicts head-tail instabilities. For a selected case below TMCI threshold at Q0 = 5, we demonstrate the stabilising effect of space charge. Finally, we compare simulation results to past LHC measurements.

  6. KNO scaling analysis of singly charged projectile fragments at relativistic energies

    International Nuclear Information System (INIS)

    Marimuthu, N.; Singh, V.; Inbanathan, S.S.R.

    2016-01-01

    This research article deals with the KNO scaling behaviour of singly charged projectile fragments emitted during 84 Kr 36 interactions with nuclear emulsion detector at around one GeV per nucleon. We observed that singly charged projectile fragments are strongly obeying the KNO scaling behaviour. (author)

  7. The charge collection in single side silicon microstrip detectors

    CERN Document Server

    Eremin, V V; Roe, S; Ruggiero, G; Weilhammer, Peter

    2003-01-01

    The transient current technique has been used to investigate signal formation in unirradiated silicon microstrip detectors, which are similar in geometry to those developed for the ATLAS experiment at LHC. Nanosecond pulsed infrared and red lasers were used to induce the signals under study. Two peculiarities in the detector performance were observed: an unexpectedly slow rise to the signal induced in a given strip when signals are injected opposite to the strip, and a long duration of the induced signal in comparison with the calculated drift time of charge carriers through the detector thickness - with a significant fraction of the charge being induced after charge carrier arrival. These major effects and details of the detector response for different positions of charge injection are discussed in the context of Ramo's theorem and compared with predictions arising from the more commonly studied phenomenon of signal formation in planar pad detectors.

  8. Deterministic Electrical Charge-State Initialization of Single Nitrogen-Vacancy Center in Diamond

    Directory of Open Access Journals (Sweden)

    Y. Doi

    2014-03-01

    Full Text Available Apart from applications in classical information-processing devices, the electrical control of atomic defects in solids at room temperature will have a tremendous impact on quantum devices that are based on such defects. In this study, we demonstrate the electrical manipulation of individual prominent representatives of such atomic solid-state defects, namely, the negative charge state of single nitrogen-vacancy defect centers (NV^{−} in diamond. We experimentally demonstrate, deterministic, purely electrical charge-state initialization of individual NV centers. The NV centers are placed in the intrinsic region of a p-i-n diode structure that facilitates the delivery of charge carriers to the defect for charge-state switching. The charge-state dynamics of a single NV center were investigated by time-resolved measurements and a nondestructive single-shot readout of the charge state. Fast charge-state switching rates (from negative to neutrally charged defects, which are greater than 0.72 ± 0.10  μs^{−1}, were realized. Furthermore, in no-operation mode, the realized charge states were stable for presumably much more than 0.45 s. We believe that the results obtained are useful not only for ultrafast electrical control of qubits, long T_{2} quantum memory, and quantum sensors associated with single NV centers but also for classical memory devices based on single atomic storage bits working under ambient conditions.

  9. Single charging events on colloidal particles in a nonpolar liquid with surfactant

    Science.gov (United States)

    Schreuer, Caspar; Vandewiele, Stijn; Brans, Toon; Strubbe, Filip; Neyts, Kristiaan; Beunis, Filip

    2018-01-01

    Electrical charging of colloidal particles in nonpolar liquids due to surfactant additives is investigated intensively, motivated by its importance in a variety of applications. Most methods rely on average electrophoretic mobility measurements of many particles, which provide only indirect information on the charging mechanism. In the present work, we present a method that allows us to obtain direct information on the charging mechanism, by measuring the charge fluctuations on individual particles with a precision higher than the elementary charge using optical trapping electrophoresis. We demonstrate the capabilities of the method by studying the influence of added surfactant OLOA 11000 on the charging of single colloidal PMMA particles in dodecane. The particle charge and the frequency of charging events are investigated both below and above the critical micelle concentration (CMC) and with or without applying a DC offset voltage. It is found that at least two separate charging mechanisms are present below the critical micelle concentration. One mechanism is a process where the particle is stripped from negatively charged ionic molecules. An increase in the charging frequency with increased surfactant concentration suggests a second mechanism that involves single surfactant molecules. Above the CMC, neutral inverse micelles can also be involved in the charging process.

  10. Single-sheet identification method of heavy charged particles using ...

    Indian Academy of Sciences (India)

    The theoretical and experimental investigations of the penetration of charged particles in matter played a very important role in the development of modern physics. Solid state nuclear track detectors have become one of the most important tools for many branches of science and technology. An attempt has been made to ...

  11. Electrochemical charging of the single-layer graphene membrane

    Czech Academy of Sciences Publication Activity Database

    Komínková, Zuzana; Kalbáč, Martin

    2016-01-01

    Roč. 253, č. 12 (2016), s. 2331-2335 ISSN 0370-1972 R&D Projects: GA MŠk LL1301; GA ČR(CZ) GBP208/12/G016 Institutional support: RVO:61388955 Keywords : electrochemical charging * graphene membrane * in situ Raman spectroelectrochemistry Subject RIV: CG - Electrochemistry Impact factor: 1.674, year: 2016

  12. Control of single-electron charging of metallic nanoparticles onto amorphous silicon surface.

    Science.gov (United States)

    Weis, Martin; Gmucová, Katarína; Nádazdy, Vojtech; Capek, Ignác; Satka, Alexander; Kopáni, Martin; Cirák, Július; Majková, Eva

    2008-11-01

    Sequential single-electron charging of iron oxide nanoparticles encapsulated in oleic acid/oleyl amine envelope and deposited by the Langmuir-Blodgett technique onto Pt electrode covered with undoped hydrogenated amorphous silicon film is reported. Single-electron charging (so-called quantized double-layer charging) of nanoparticles is detected by cyclic voltammetry as current peaks and the charging effect can be switched on/off by the electric field in the surface region induced by the excess of negative/positive charged defect states in the amorphous silicon layer. The particular charge states in amorphous silicon are created by the simultaneous application of a suitable bias voltage and illumination before the measurement. The influence of charged states on the electric field in the surface region is evaluated by the finite element method. The single-electron charging is analyzed by the standard quantized double layer model as well as two weak-link junctions model. Both approaches are in accordance with experiment and confirm single-electron charging by tunnelling process at room temperature. This experiment illustrates the possibility of the creation of a voltage-controlled capacitor for nanotechnology.

  13. A Compartmental Analysis for Morphine and Its Metabolites in Young Children After a Single Oral Dose.

    Science.gov (United States)

    Velez de Mendizabal, Nieves; Jimenez-Mendez, Ricardo; Cooke, Erin; Montgomery, Carolyne J; Dawes, Joy; Rieder, Michael J; Aleksa, Katarina; Koren, Gideon; Jacobo-Cabral, Carlos O; Gonzalez-Ramirez, Rodrigo; Castañeda-Hernandez, Gilberto; Carleton, Bruce C

    2015-10-01

    Currently, the majority of the surgical procedures performed in paediatric hospitals are done on a day care basis, with post-operative pain being managed by caregivers at home. Pain after discharge of these post-operative children has historically been managed with oral codeine in combination with paracetamol (acetaminophen). Codeine is an opioid, which elicits its analgesic effects via metabolism to morphine and codeine-6-glucuronide. Oral morphine is a feasible alternative for outpatient analgesia; however, the pharmacokinetics of morphine after oral administration have been previously described only sparsely, and there is little information in healthy children. The clinical trial included 40 children from 2 to 6 years of age, with an American Society of Anaesthesiologists physical status classification of 1 or 2, who were undergoing surgical procedures requiring opioid analgesia. Morphine was orally administered prior to surgery in one of three doses: 0.1 mg/kg, 0.2 mg/kg and 0.3 mg/kg. Blood samples were collected for plasma morphine, morphine-3-glucuronide (M3G) and morphine-6-glucuronide (M6G) concentrations at 30, 60, 90, 120, 180 and 240 min after administration. All analyses were performed with the non-linear mixed-effect modelling software NONMEM version 7.2, using the first-order conditional estimation (FOCE) method. A pharmacokinetic model was developed to simultaneously describe the plasma profiles of morphine and its metabolites M3G and M6G after a single dose of oral morphine in young children (2-6 years of age). The disposition of morphine, M3G and M6G in plasma was best described by a one-compartment model. M3G and M6G metabolite formation was best described by a delay transit compartment, indicating a delay in the appearance of these two major metabolites. This model provides a foundation on which to further evaluate the use of oral morphine and its safety in young children. Longer follow-up time for morphine oral doses and incorporation of

  14. Charge collection measurements in single-type column 3D sensors

    International Nuclear Information System (INIS)

    Scaringella, M.; Polyakov, A.; Sadrozinski, H.F.-W.; Bruzzi, M.; Tosi, C.; Boscardin, M.; Piemonte, C.; Pozza, A.; Ronchin, S.; Zorzi, N.; Dalla Betta, G.-F.

    2007-01-01

    We report on charge collection studies on 3D silicon detectors of single-type column n-diffusions in p-substrate, configured either as strip or as pad detectors. The charge is generated by penetrating beta particles from a 90 Sr source which, together with a scintillation counter, serves as an electron telescope. The charge collection as a function of bias voltage is compared with the depletion thickness derived from the measured C-V characteristics

  15. Charge collection measurements with p-type Magnetic Czochralski silicon single pad detectors

    International Nuclear Information System (INIS)

    Tosi, C.; Bruzzi, M.; Macchiolo, A.; Scaringella, M.; Petterson, M.K.; Sadrozinski, H.F.-W.; Betancourt, C.; Manna, N.; Creanza, D.; Boscardin, M.; Piemonte, C.; Zorzi, N.; Borrello, L.; Messineo, A.

    2007-01-01

    The charge collected from beta source particles in single pad detectors produced on p-type Magnetic Czochralski (MCz) silicon wafers has been measured before and after irradiation with 26 MeV protons. After a 1 MeV neutron equivalent fluence of 1x10 15 cm -2 the collected charge is reduced to 77% at bias voltages below 900 V. This result is compared with previous results from charge collection measurements

  16. Single molecule charge transport : From a quantum mechanical to a classical description

    NARCIS (Netherlands)

    Kocherzhenko, A.A.; Grozema, F.C.; Siebbeles, L.D.A.

    2010-01-01

    This paper explores charge transport at the single molecule level. The conductive properties of both small organic molecules and conjugated polymers (molecular wires) are considered. In particular, the reasons for the transition from fully coherent to incoherent charge transport and the approaches

  17. Solanum tuberosum and Lycopersicon esculentum Leaf Extracts and Single Metabolites Affect Development and Reproduction of Drosophila melanogaster.

    Science.gov (United States)

    Ventrella, Emanuela; Adamski, Zbigniew; Chudzińska, Ewa; Miądowicz-Kobielska, Mariola; Marciniak, Paweł; Büyükgüzel, Ender; Büyükgüzel, Kemal; Erdem, Meltem; Falabella, Patrizia; Scrano, Laura; Bufo, Sabino Aurelio

    2016-01-01

    Glycoalkaloids are secondary metabolites commonly found in Solanaceae plants. They have anti-bacterial, anti-fungal and insecticidal activities. In the present study we examine the effects of potato and tomato leaf extracts and their main components, the glycoalkaloids α-solanine, α-chaconine and α-tomatine, on development and reproduction of Drosophila melanogaster wild-type flies at different stages. Parental generation was exposed to five different concentrations of tested substances. The effects were examined also on the next, non-exposed generation. In the first (exposed) generation, addition of each extract reduced the number of organisms reaching the pupal and imaginal stages. Parent insects exposed to extracts and metabolites individually applied showed faster development. However, the effect was weaker in case of single metabolites than in case of exposure to extracts. An increase of developmental rate was also observed in the next, non-exposed generation. The imagoes of both generations exposed to extracts and pure metabolites showed some anomalies in body size and malformations, such as deformed wings and abdomens, smaller black abdominal zone. Our results further support the current idea that Solanaceae can be an impressive source of molecules, which could efficaciously be used in crop protection, as natural extract or in formulation of single pure metabolites in sustainable agriculture.

  18. Solanum tuberosum and Lycopersicon esculentum Leaf Extracts and Single Metabolites Affect Development and Reproduction of Drosophila melanogaster.

    Directory of Open Access Journals (Sweden)

    Emanuela Ventrella

    Full Text Available Glycoalkaloids are secondary metabolites commonly found in Solanaceae plants. They have anti-bacterial, anti-fungal and insecticidal activities. In the present study we examine the effects of potato and tomato leaf extracts and their main components, the glycoalkaloids α-solanine, α-chaconine and α-tomatine, on development and reproduction of Drosophila melanogaster wild-type flies at different stages. Parental generation was exposed to five different concentrations of tested substances. The effects were examined also on the next, non-exposed generation. In the first (exposed generation, addition of each extract reduced the number of organisms reaching the pupal and imaginal stages. Parent insects exposed to extracts and metabolites individually applied showed faster development. However, the effect was weaker in case of single metabolites than in case of exposure to extracts. An increase of developmental rate was also observed in the next, non-exposed generation. The imagoes of both generations exposed to extracts and pure metabolites showed some anomalies in body size and malformations, such as deformed wings and abdomens, smaller black abdominal zone. Our results further support the current idea that Solanaceae can be an impressive source of molecules, which could efficaciously be used in crop protection, as natural extract or in formulation of single pure metabolites in sustainable agriculture.

  19. Solanum tuberosum and Lycopersicon esculentum Leaf Extracts and Single Metabolites Affect Development and Reproduction of Drosophila melanogaster

    Science.gov (United States)

    Ventrella, Emanuela; Adamski, Zbigniew; Chudzińska, Ewa; Miądowicz-Kobielska, Mariola; Marciniak, Paweł; Büyükgüzel, Ender; Büyükgüzel, Kemal; Erdem, Meltem; Falabella, Patrizia; Scrano, Laura; Bufo, Sabino Aurelio

    2016-01-01

    Glycoalkaloids are secondary metabolites commonly found in Solanaceae plants. They have anti-bacterial, anti-fungal and insecticidal activities. In the present study we examine the effects of potato and tomato leaf extracts and their main components, the glycoalkaloids α-solanine, α-chaconine and α-tomatine, on development and reproduction of Drosophila melanogaster wild-type flies at different stages. Parental generation was exposed to five different concentrations of tested substances. The effects were examined also on the next, non-exposed generation. In the first (exposed) generation, addition of each extract reduced the number of organisms reaching the pupal and imaginal stages. Parent insects exposed to extracts and metabolites individually applied showed faster development. However, the effect was weaker in case of single metabolites than in case of exposure to extracts. An increase of developmental rate was also observed in the next, non-exposed generation. The imagoes of both generations exposed to extracts and pure metabolites showed some anomalies in body size and malformations, such as deformed wings and abdomens, smaller black abdominal zone. Our results further support the current idea that Solanaceae can be an impressive source of molecules, which could efficaciously be used in crop protection, as natural extract or in formulation of single pure metabolites in sustainable agriculture. PMID:27213896

  20. Pharmacokinetics of lansoprazole and its main metabolites after single intravenous doses in healthy Chinese subjects.

    Science.gov (United States)

    Zhang, Dan; Yang, Man; Liu, Man; Zhang, Yanan; Wang, Xiaolin; Xiao, Xue; Liu, Huichen

    2012-11-01

    The aim of the study was to evaluate the pharmacokinetics (PK) of lansoprazole (LPZ) and its main metabolites 5'-hydroxy lansoprazole (HLPZ) and lansoprazole sulphone (LPZS) after single intravenous (i.v.) doses of LPZ in healthy Chinese subjects, and the relationship between the cytochrome P450 (CYP) 2C19 phenotypes and the plasma concentrations of LPZS at the time-points in the elimination phase of LPZ. Twelve subjects were given lansoprazole by i.v. infusion. Blood samples were collected at designated time points up to 24 h. Plasma concentrations of LPZ, HLPZ and LPZS were quantified by a selective and sensitive liquid chromatography-tandem mass spectrometric (LC-MS/MS) method. After single i.v. doses of 15, 30 and 60 mg LPZ, C(max) and area under the plasma concentration-time curve (AUC(0-t)) of LPZ were 725 ± 151, 1480 ± 190, 3130 ± 480 µg · L(-1) and 1690 ± 1210, 3630 ± 2530, 8080 ± 4550 µg · h · L(-1), respectively. LPZ was generally well tolerated in healthy Chinese subjects, and displayed linear PK in the range of 15-60 mg. There were significant differences in the elimination of LPZ and the formation of LPZS between the single CYP2C19 poor metabolizer (PM) and the CYP2C19 extensive metabolizers (EM). The concentration of LPZS at the time-points in the elimination phase of LPZ could be monitored for CYP2C19 phenotyping. As a probe drug for CYP2C19 phenotyping, LPZ for injection might be more suitable than LPZ oral formulations.

  1. Glass coated single grid for charged particle acceleration

    Science.gov (United States)

    Banks, B. A.; Nakanishi, S.

    1968-01-01

    Glass coating is used on a single grid accelerator system for ion thrusters. The uniformly thin, smooth, dense, impervious glass coating has a high dielectric strength and is firmly bonded to the accelerator grid.

  2. A graphene quantum dot with a single electron transistor as an integrated charge sensor

    Science.gov (United States)

    Wang, Lin-Jun; Cao, Gang; Tu, Tao; Li, Hai-Ou; Zhou, Cheng; Hao, Xiao-Jie; Su, Zhan; Guo, Guang-Can; Jiang, Hong-Wen; Guo, Guo-Ping

    2010-12-01

    A quantum dot (QD) with an integrated charge sensor is becoming a common architecture for a spin or charge based solid state qubit. To implement such a structure in graphene, we have fabricated a twin-dot structure in which the larger dot serves as a single electron transistor (SET) to read out the charge state of the nearby gate controlled small QD. A high SET sensitivity of 10-3e/√Hz allowed us to probe Coulomb charging as well as excited state spectra of the QD, even in the regime where the current through the QD is too small to be measured by conventional transport means.

  3. The single-sink fixed-charge transportation problem: Applications and solution methods

    DEFF Research Database (Denmark)

    Goertz, Simon; Klose, Andreas

    2007-01-01

    The single-sink fixed-charge transportation problem (SSFCTP) consists in finding a minimum cost flow from a number of supplier nodes to a single demand node. Shipping costs comprise costs proportional to the amount shipped as well as a fixed-charge. Although the SSFCTP is an important special case...... of the well-known fixed-charge transportation problem, just a few methods for solving this problem have been proposed in the literature. After summarising some applications of this problem arising in manufacturing and transportation, we give an overview on approximation algorithms and worst-case results....... Finally, we briefly compare some exact solution algorithms for this problem....

  4. Detection of charged particles with a methylammonium lead tribromide perovskite single crystal

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Qiang [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, Columbus, Ohio 43210 (United States); Wei, Haotong; Wei, Wei [Department of Mechanical and Materials Engineering, University of Nebraska-Lincoln, Lincoln, Nebraska 68588 (United States); Chuirazzi, William; DeSantis, Dylan [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, Columbus, Ohio 43210 (United States); Huang, Jinsong, E-mail: jhuang2@unl.edu [Department of Mechanical and Materials Engineering, University of Nebraska-Lincoln, Lincoln, Nebraska 68588 (United States); Cao, Lei, E-mail: cao.152@osu.edu [Nuclear Engineering Program, Department of Mechanical and Aerospace Engineering, The Ohio State University, Columbus, Ohio 43210 (United States)

    2017-03-11

    Methylammonium lead tribromide (MAPbBr{sub 3}) perovskite crystals have attracted significant attention due to their attractive performance in various optoelectronic applications such as solar cells, light-emitting devices, photodetectors, and recently in X-ray detectors. In this study, we demonstrate a possible use of perovskite-based devices for detection of charged particles (which can be applied in basic scientific research, health physics, and environmental analysis) and investigate the mechanism of fundamental charge transport inside perovskite crystals. It was found that inexpensive MAPbBr{sub 3} single crystals could be used for measuring the energy spectrum of charged particles through direct collection of the produced charge. After fitting the plot of the centroid peak position versus voltage with the Hecht equation for single-polarity charge transport, the obtained hole mobility-lifetime product was in the range of (0.4–1.6)×10{sup −3} cm{sup 2}/V.

  5. A Study of Charged Current Single Charged Pion Productions on Carbon in a Few-GeV Neutrino Beam

    Energy Technology Data Exchange (ETDEWEB)

    Hiraide, Katsuki [Kyoto Univ. (Japan)

    2009-01-01

    Understanding single charged pion production via neutrino-nucleus charged current interaction in the neutrino energy region of a few GeV is essential for future neutrino oscillation experiments since this process is a dominant background for vμ → vx oscillation measurements. There are two contributions to this process: single pion production via baryonic resonance (vμN → μ-+) and coherent pion production interacting with the entire nucleus (vμA → μ-+), where N is nucleon in the nucleus and A is the nucleus. The purpose of the study presented in this thesis is a precise measurement of charged current single charged pion productions, resonant and coherent pion productions, with a good final state separation in the neutrino energy region of a few GeV. In this thesis, we focus on the study of charged current coherent pion production from muon neutrinos scattering on carbon, vμ 12C → μ-12+, in the SciBooNE experiment. This is motivated by the fact that without measuring this component first, the precise determination of resonant pion production cross section can not be achieved since the contribution of coherent pion production in the region of small muon scattering angle is not small. Furthermore, the coherent process is particularly interesting because it is deeply rooted in fundamental physics via Adler's partially conserved axial-vector current theorem. We took data from June 2007 until August 2008, in both the neutrino and antineutrino beam. In total, 2.52 x 1020 protons on target were collected. We have performed a search for charged current coherent pion production by using SciBooNE's full neutrino data set, corresponding to 0.99 x 1020 protons on target. No evidence for coherent pion production is observed. We set 90% confidence level upper limits on the cross section ratio

  6. Electrochemical Charging of Individual Single-Walled Carbon Nanotubes

    Czech Academy of Sciences Publication Activity Database

    Kalbáč, Martin; Farhat, H.; Kavan, Ladislav; Kong, J.; Sasaki, K.; Saito, R.; Dresselhaus, M. S.

    2009-01-01

    Roč. 3, č. 8 (2009), s. 2320-2328 ISSN 1936-0851 R&D Projects: GA ČR GC203/07/J067; GA AV ČR IAA400400804; GA AV ČR IAA400400911; GA AV ČR KAN200100801; GA MŠk ME09060 Institutional research plan: CEZ:AV0Z40400503 Keywords : single-walled carbon nanotubes * Raman spectroscopy * electrochemical gating * spectroelectrochemistry Subject RIV: CG - Electrochemistry Impact factor: 7.493, year: 2009

  7. Large Silver Halide Single Crystals as Charged Particle Track Detectors

    Science.gov (United States)

    Kusmiss, J. H.

    1972-01-01

    The trajectory of the particle is made visible under a microscope by the accumulation of metallic silver at regions of the lattice damaged by the particle. This decoration of the particle track is accomplished by exposure of the crystal to light. The decoration of normally present lattice imperfections such as dislocations can be suppressed by the addition to the crystal of less than ten parts per million of a suitable polyvalent metal impurity. An account of some preliminary attempts to grow thin single crystals of AgCl is given also, and suggestions for a more refined technique are offered.

  8. Unbiased, complete solar charging of a neutral flow battery by a single Si photocathode

    DEFF Research Database (Denmark)

    Wedege, Kristina; Bae, Dowon; Dražević, Emil

    2018-01-01

    Solar redox flow batteries have attracted attention as a possible integrated technology for simultaneous conversion and storage of solar energy. In this work, we review current efforts to design aqueous solar flow batteries in terms of battery electrolyte capacity, solar conversion efficiency...... and depth of solar charge. From a materials cost and design perspective, a simple, cost-efficient, aqueous solar redox flow battery will most likely incorporate only one semiconductor, and we demonstrate here a system where a single photocathode is accurately matched to the redox couples to allow...... for a complete solar charge. The single TiO2 protected Si photocathode with a catalytic Pt layer can fully solar charge a neutral TEMPO-sulfate/ferricyanide battery with a cell voltage of 0.35 V. An unbiased solar conversion efficiency of 1.6% is obtained and this system represents a new strategy in solar RFBs...

  9. Solving the Single-Sink, Fixed-Charge, Multiple-Choice Transportation Problem by Dynamic Programming

    DEFF Research Database (Denmark)

    Rauff Lind Christensen, Tue; Klose, Andreas; Andersen, Kim Allan

    The Single-Sink, Fixed-Charge, Multiple-Choice Transportation Problem (SSFCMCTP) is a problem with versatile applications. This problem is a generalization of the Single-Sink, Fixed-Charge Transportation Problem (SSFCTP), which has a fixed-charge, linear cost structure. However, in at least two...... are neglected in the SSFCTP. The SSFCMCTP overcome this problem by incorporating a staircase cost structure in the cost function instead of the usual one used in SSFCTP. We present a dynamic programming algorithm for the resulting problem. To enhance the performance of the generic algorithm a number...... of enhancements is employed. The problem instance is reduced by variable pegging using a Lagrangean relaxation from which also a flow augmentation scheme is derived. Additionally a reduction in the search space is employed along with a variable transformation which generalizes a transformation known from...

  10. Single-particle thermal diffusion of charged colloids: Double-layer theory in a temperature gradient

    NARCIS (Netherlands)

    Dhont, J.K.G.; Briels, Willem J.

    2008-01-01

    The double-layer contribution to the single-particle thermal diffusion coefficient of charged, spherical colloids with arbitrary double-layer thickness is calculated and compared to experiments. The calculation is based on an extension of the Debye-Hückel theory for the double-layer structure that

  11. Observation of Frenkel and charge transfer excitons in pentacene single crystals using spectroscopic generalized ellipsometry

    NARCIS (Netherlands)

    Qi, Dongchen; Su, Haibin; Bastjan, M.; Jurchescu, O. D.; Palstra, T. M.; Wee, Andrew T. S.; Ruebhausen, M.; Rusydi, A.; Rübhausen, M.

    2013-01-01

    We report on the emerging and admixture of Frenkel and charge transfer (CT) excitons near the absorption onset in pentacene single crystals. Using high energy-resolution spectroscopic generalized ellipsometry with in-plane polarization dependence, the excitonic nature of three lowest lying

  12. Observation and applications of single-electron charge signals in the XENON100 experiment

    NARCIS (Netherlands)

    Aprile, E.; et al., [Unknown; Alfonsi, M.; Colijn, A.P.; Decowski, M.P.

    2014-01-01

    The XENON100 dark matter experiment uses liquid xenon in a time projection chamber (TPC) to measure xenon nuclear recoils resulting from the scattering of dark matter weakly interacting massive particles (WIMPs). In this paper, we report the observation of single-electron charge signals which are

  13. Changes of the density of charge on mineral soil components by adsorption of some metabolites of hydrocarbons

    OpenAIRE

    Hollederer, Gorch; Calmano, Wolfgang

    1994-01-01

    The adsorption on clay minerals and sesquioxides of some polar degradation products of naphthalene and alkylated benzenes was investigated by 14C-tracer experiments. Surface charge density of the solids was measured by titration with sodium polyethene sulfonate and polydiallyl-dimethyl-ammonium chloride at pH-range 4-7. Adsorption of organic anions reduced the positive charge on oxidic surfaces and increased the density of negative charge on clay minerals, respectively. The increase of the de...

  14. Modulation and Control of Charge Transport Through Single-Molecule Junctions.

    Science.gov (United States)

    Wang, Kun; Xu, Bingqian

    2017-02-01

    The ability to modulate and control charge transport though single-molecule junction devices is crucial to achieving the ultimate goal of molecular electronics: constructing real-world-applicable electronic components from single molecules. This review aims to highlight the progress made in single-molecule electronics, emphasizing the development of molecular junction electronics in recent years. Among many techniques that attempt to wire a molecule to metallic electrodes, the single-molecule break junction (SMBJ) technique is one of the most reliable and tunable experimental platforms for achieving metal-molecule-metal configurations. It also provides great freedom to tune charge transport through the junction. Soon after the SMBJ technique was introduced, it was extensively used to measure the conductances of individual molecules; however, different conductances were obtained for the same molecule, and it proved difficult to interpret this wide distribution of experimental data. This phenomenon was later found to be mainly due to a lack of precise experimental control and advanced data analysis methods. In recent years, researchers have directed considerable effort into advancing the SMBJ technique by gaining a deeper physical understanding of charge transport through single molecules and thus enhancing its potential applicability in functional molecular-scale electronic devices, such as molecular diodes and molecular transistors. In parallel with that research, novel data analysis methods and approaches that enable the discovery of hidden yet important features in the data are being developed. This review discusses various aspects of molecular junction electronics, from the initial goal of molecular electronics, the development of experimental techniques for creating single-molecule junctions and determining single-molecule conductance, to the characterization of functional current-voltage features and the investigation of physical properties other than charge

  15. An instrument for charge measurement due to a single collision between two spherical particles.

    Science.gov (United States)

    Xie, L; Bao, N; Jiang, Y; Han, K; Zhou, J

    2016-01-01

    It universally exists in moving particular systems that particles can be electrified, in which the particles are chemically identical, just as toner particles, coal dust, and pharmaceutical powders. However, owing to the limit of experimental instruments, so far, there are yet no experiments to illustrate whether a particle can be electrified due to a single collision between two spherical particles, and there are also no experiments to measure the charge carried by a single particle due to a single collision between two particles. So we have developed an instrument for charge measurement due to a single collision between two spheres. The instrument consists of two-sphere collision device, collision charge measurement apparatus, and particles' trajectory tracking system. By using this instrument, we can investigate the collision contact electrification due to a single collision between two spheres and simultaneously record the moving trajectories of spheres after the collision to calculate the rebound angles to identify the contribution of the triboelectrification due to the rubbing between the contact surfaces and the collision contact electrification due to the normal pressure between the contact surfaces.

  16. Calculations of Q values in single- and double-charge-transfer collisions of highly charged ions with atoms

    International Nuclear Information System (INIS)

    Chen, Z.; Lin, C.D.; Toshima, N.

    1994-01-01

    Close-coupling calculations are carried out for the Q values for electron capture processes in collisions of multiply charged ions with atoms over a broad range of energies. For single-capture processes the results for N 7+ +He and O 8+ +He collisions are in good agreement with the experimental data of Wu et al. [preceding paper, Phys. Rev. A 50, 502 (1994)]. To compare with the experimental Q values for the transfer ionization (TI) and the true double-capture (TDC) processes, an independent-electron model was used to calculate double-electron-capture cross sections. By combining with the calculated average fluorescence yields, the theoretical Q values for TI and TDC processes are also found to be in fair agreement with the experimental data. We also compared the Q values calculated by the close-coupling method and by the classical-trajectory Monte Carlo method

  17. Algorithms for solving the single-sink fixed-charge transportation problem

    DEFF Research Database (Denmark)

    Klose, Andreas

    2006-01-01

    The single-sink fixed-charge transportation problem is an important subproblem of the fixed-charge transportation problem. Just a few methods have been proposed in the literature to solve this problem. In this paper, solution approaches based on dynamic programming and implicit enumeration...... are revisited. It is shown how the problem size as well as the search space of a recently published dynamic programming method can be reduced by exploiting reduced cost information. Additionally, a further implicit enumeration approach relying on solution concepts for the binary knapsack problem is introduced...

  18. Charge calculation studies done on a single walled carbon nanotube using MOPAC

    Science.gov (United States)

    Negi, S.; Bhartiya, Vivek Kumar; Chaturvedi, S.

    2018-04-01

    Dipole symmetry of induced charges on DWNTs are required for their application as a nanomotor. Earlier a molecular dynamics analysis was performed for a double-walled carbon-nanotube based motor driven by an externally applied sinusoidally varying electric field. One of the ways to get such a system is chemical or end functionalization, which promises to accomplish this specific and rare configuration of the induced charges on the surface of the carbon nanotube (CNT). CNTs are also a promising system for attaching biomolecules for bio-related applications. In an earlier work, ab initio calculations were done to study the electronic and structural properties of the groups -COOH, -OH, -NH2 and -CONH2 functionalized to an (8, 0) SWNT. The systems were shown to have a very stable interaction with the CNTs. The exterior surface of the SWNT is found to be reactive to NH2 (amidogen). In this work, charge calculations are done on a CNT using MOPAC, which is a semi empirical quantum chemistry software package. As a first step, we calculate the effect of NH2 functionalization to a (5,0) SWNT of infinite length. The symmetric charge distribution of the bare SWNT is observed to be disturbed on addition of a single NH2 in the close proximity of the SWNT. A net positive and opposite charge is observed to be induced on the opposite sides of the nanotube circumference, which is, in turn, imperative for the nanomotor applications. The minimum and maximum value of the charge on any atom is observed to increase from - 0.3 to 0.6 and from - 0.3 to - 1.8 electronic charge as compared to the bare SWNT. This fluctuation of the surface charge to larger values than bare CNT, can be attributed to the coulomb repulsion between NH2 and the rest of the charge on the surface which results into minimizing the total energy of the system. No such opposite polarity of charges are observed on adding NH2 to each ring of the SWNT implying addition of a single amidogen to be the most appropriate

  19. Charge-odd and single-spin effects in two pion production in ep bar collisions

    International Nuclear Information System (INIS)

    Galynskij, M.V.; Kuraev, E.A.; Shajkhatdenov, B.G.; Ratcliffe, P.G.

    2000-01-01

    We consider two-photon and Bremsstrahlung mechanisms for the production of two charged pions in high-energy electron (proton) scattering off a transversely polarised proton. Interference between the relevant amplitudes generates a charge-odd contribution to the cross section for the process. In a kinematics with a jet moving along electron spin-independent part may be used for determination of phase differences for pion-pion scattering in the states with orbital momentum 0 or 2 and 1 whereas in a kinematics with a jet moving along proton spin-dependent part may be used to explain the experimental data for single-spin correlations in the production of negatively charged pions. We also discuss the backgrounds and estimate the accuracy of the results at less than 10% level. In addition simplified formulae derived for specific kinematics, with small total transverse pion momentum, are given

  20. Investigation of charge multiplication in single crystalline CVD diamond particle detectors

    Energy Technology Data Exchange (ETDEWEB)

    Muškinja, M.; Cindro, V.; Gorišek, A. [Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); Kagan, H. [Department of Physics, Ohio State University (United States); Kramberger, G., E-mail: Gregor.Kramberger@ijs.si [Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); Mandić, I. [Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); Mikuž, M. [Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia); Faculty of Physics and Mathematics, University of Ljubljana (Slovenia); Phan, S.; Smith, D.S. [Department of Physics, Ohio State University (United States); Zavrtanik, M. [Jožef Stefan Institute, Jamova 39, SI-1000 Ljubljana (Slovenia)

    2017-01-01

    A special metallization pattern was created on a single crystalline diamond detector aimed at creating high enough electric field for impact ionization in the detector material. Electric field line focusing through electrode design and very high bias voltages were used to obtain high electric fields. Previous measurements and theoretical calculations indicated that drifting charge multiplication by impact ionization could take place. A large increase of induced charge was observed for the smallest dot electrode which points to charge multiplication while for the large dot and pad detector structure no such effect was observed. The evolution of induced currents was also monitored with the transient current technique. Induced current pulses with duration of order 1 μs were measured. The multiplication gain was found to depend on the particle rate.

  1. Pharmacokinetics of lansoprazole and its main metabolites after single and multiple intravenous doses in healthy Chinese subjects.

    Science.gov (United States)

    Zhang, Dan; Zhang, Yanan; Liu, Man; Wang, Xiaolin; Yang, Man; Han, Jing; Liu, Huichen

    2013-09-01

    The aim of the study was to evaluate and compare the pharmacokinetics of lansoprazole (LPZ) and its main metabolites, 5'-hydroxy lansoprazole (HLPZ) and lansoprazole sulfone (LPZS), after single and multiple intravenous (i.v.) doses of LPZ in healthy Chinese subjects. Twelve subjects (six males and six females) were given a single dose of LPZ by i.v. infusion on day 1, and multiple doses from day 2 to day 6. Blood samples were collected at designated time points for analysis of plasma concentrations of LPZ, HLPZ and LPZS by an LC-MS/MS method. LPZ was generally well tolerated in healthy Chinese subjects. After single and multiple i.v. doses of 30 mg LPZ, the C max values of LPZ, HLPZ and LPZS were 1490 ± 290 and 1450 ± 280, 175 ± 71 and 154 ± 56, and 51.3 ± 82.9 and 74.1 ± 158.7 ng/mL, with the AUC0-t values 3280 ± 2550 and 4260 ± 3880, 381 ± 128 and 389 ± 111, and 389 ± 1204 and 700 ± 2255 ng h/mL, respectively. The t 1/2 and CL values of LPZ after single and multiple i.v. doses were 1.48 ± 1.03 and 2.19 ± 1.03 h, and 11.67 ± 4.49 and 9.56 ± 4.08 L/h, respectively. Compared with the pharmacokinetics of LPZ after a single dose, t 1/2 increased markedly, CL decreased significantly and AUC increased by over 20 % after multiple doses. The results indicated that there was drug accumulation of LPZ after multiple i.v. doses, and there was no gender-related difference in pharmacokinetics of LPZ and its two metabolites.

  2. Spectroscopy of Charge Carriers and Traps in Field-Doped Single Crystal Organic Semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Xiaoyang

    2014-12-10

    The proposed research aims to achieve quantitative, molecular level understanding of charge carriers and traps in field-doped crystalline organic semiconductors via in situ linear and nonlinear optical spectroscopy, in conjunction with transport measurements and molecular/crystal engineering. Organic semiconductors are emerging as viable materials for low-cost electronics and optoelectronics, such as organic photovoltaics (OPV), organic field effect transistors (OFETs), and organic light emitting diodes (OLEDs). Despite extensive studies spanning many decades, a clear understanding of the nature of charge carriers in organic semiconductors is still lacking. It is generally appreciated that polaron formation and charge carrier trapping are two hallmarks associated with electrical transport in organic semiconductors; the former results from the low dielectric constants and weak intermolecular electronic overlap while the latter can be attributed to the prevalence of structural disorder. These properties have lead to the common observation of low charge carrier mobilities, e.g., in the range of 10-5 - 10-3 cm2/Vs, particularly at low carrier concentrations. However, there is also growing evidence that charge carrier mobility approaching those of inorganic semiconductors and metals can exist in some crystalline organic semiconductors, such as pentacene, tetracene and rubrene. A particularly striking example is single crystal rubrene (Figure 1), in which hole mobilities well above 10 cm2/Vs have been observed in OFETs operating at room temperature. Temperature dependent transport and spectroscopic measurements both revealed evidence of free carriers in rubrene. Outstanding questions are: what are the structural features and physical properties that make rubrene so unique? How do we establish fundamental design principles for the development of other organic semiconductors of high mobility? These questions are critically important but not comprehensive, as the nature of

  3. Surface structure modification of single crystal graphite after slow, highly charged ion irradiation

    Science.gov (United States)

    Alzaher, I.; Akcöltekin, S.; Ban-d'Etat, B.; Manil, B.; Dey, K. R.; Been, T.; Boduch, P.; Rothard, H.; Schleberger, M.; Lebius, H.

    2018-04-01

    Single crystal graphite was irradiated by slow, highly charged ions. The modification of the surface structure was studied by means of Low-Energy Electron Diffraction. The observed damage cross section increases with the potential energy, i.e. the charge state of the incident ion, at a constant kinetic energy. The potential energy is more efficient for the damage production than the kinetic energy by more than a factor of twenty. Comparison with earlier results hints to a strong link between early electron creation and later target atom rearrangement. With increasing ion fluence, the initially large-scale single crystal is first transformed into μ m-sized crystals, before complete amorphisation takes place.

  4. Transmission of Fast Highly Charged Ions through a Single Glass Macrocapillary and Polycarbonate Nanocapillary Foils

    Science.gov (United States)

    Ayyad, A. M.; Dassanayake, B. S.; Keerthisinghe, D.; DeSilva, G. G.; Elkafrawy, T.; Kayani, N.; Tanis, J. A.

    2012-11-01

    Transmission of 3 MeV protons and 16 MeV O5+ ions through a single glass macrocapillary and a polycarbonate nanocapillary foil has been investigated. Results show that 3 MeV protons transmit through the capillary and the foils with little or no energy loss, while 16 MeV O5+ ions show transmission through the capillary and the foil with energy losses that vary with the tilt angle, and there are also changes in the charge state.

  5. Single photon emission from charged excitons in CdTe/ZnTe quantum dots

    Science.gov (United States)

    Belyaev, K. G.; Rakhlin, M. V.; Sorokin, S. V.; Klimko, G. V.; Gronin, S. V.; Sedova, I. V.; Mukhin, I. S.; Ivanov, S. V.; Toropov, A. A.

    2017-11-01

    We report on micro-photoluminescence studies of individual self-organized CdTe/ZnTe quantum dots intended for single-photon-source applications in a visible spectral range. The quantum dots surface density below 1010 per cm2 was achieved by using a thermally activated regime of molecular beam epitaxy that allowed fabrication of etched mesa-structures containing only a few emitting quantum dots. The single photon emission with the autocorrelation function g(2)(0)<0.2 was detected and identified as recombination of charged excitons in the individual quantum dot.

  6. Optimized Charging Scheduling with Single Mobile Charger for Wireless Rechargeable Sensor Networks

    Directory of Open Access Journals (Sweden)

    Qihua Wang

    2017-11-01

    Full Text Available Due to the rapid development of wireless charging technology, the recharging issue in wireless rechargeable sensor network (WRSN has been a popular research problem in the past few years. The weakness of previous work is that charging route planning is not reasonable. In this work, a dynamic optimal scheduling scheme aiming to maximize the vacation time ratio of a single mobile changer for WRSN is proposed. In the proposed scheme, the wireless sensor network is divided into several sub-networks according to the initial topology of deployed sensor networks. After comprehensive analysis of energy states, working state and constraints for different sensor nodes in WRSN, we transform the optimized charging path problem of the whole network into the local optimization problem of the sub networks. The optimized charging path with respect to dynamic network topology in each sub-network is obtained by solving an optimization problem, and the lifetime of the deployed wireless sensor network can be prolonged. Simulation results show that the proposed scheme has good and reliable performance for a small wireless rechargeable sensor network.

  7. Single Molecule Spectroelectrochemistry of Interfacial Charge Transfer Dynamics In Hybrid Organic Solar Cell

    Energy Technology Data Exchange (ETDEWEB)

    Pan, Shanlin [Univ. of Alabama, Tuscaloosa, AL (United States)

    2014-11-16

    Our research under support of this DOE grant is focused on applied and fundamental aspects of model organic solar cell systems. Major accomplishments are: 1) we developed a spectroelectorchemistry technique of single molecule single nanoparticle method to study charge transfer between conjugated polymers and semiconductor at the single molecule level. The fluorescence of individual fluorescent polymers at semiconductor surfaces was shown to exhibit blinking behavior compared to molecules on glass substrates. Single molecule fluorescence excitation anisotropy measurements showed the conformation of the polymer molecules did not differ appreciably between glass and semiconductor substrates. The similarities in molecular conformation suggest that the observed differences in blinking activity are due to charge transfer between fluorescent polymer and semiconductor, which provides additional pathways between states of high and low fluorescence quantum efficiency. Similar spectroelectrochemistry work has been done for small organic dyes for understand their charge transfer dynamics on various substrates and electrochemical environments; 2) We developed a method of transferring semiconductor nanoparticles (NPs) and graphene oxide (GO) nanosheets into organic solvent for a potential electron acceptor in bulk heterojunction organic solar cells which employed polymer semiconductor as the electron donor. Electron transfer from the polymer semiconductor to semiconductor and GO in solutions and thin films was established through fluorescence spectroscopy and electroluminescence measurements. Solar cells containing these materials were constructed and evaluated using transient absorption spectroscopy and dynamic fluorescence techniques to understand the charge carrier generation and recombination events; 3) We invented a spectroelectorchemistry technique using light scattering and electroluminescence for rapid size determination and studying electrochemistry of single NPs in an

  8. A Simple Fractionated Extraction Method for the Comprehensive Analysis of Metabolites, Lipids, and Proteins from a Single Sample.

    Science.gov (United States)

    Salem, Mohamed; Bernach, Michal; Bajdzienko, Krzysztof; Giavalisco, Patrick

    2017-06-01

    Understanding of complex biological systems requires the measurement, analysis and integration of multiple compound classes of the living cell, usually determined by transcriptomic, proteomic, metabolomics and lipidomic measurements. In this protocol, we introduce a simple method for the reproducible extraction of metabolites, lipids and proteins from biological tissues using a single aliquot per sample. The extraction method is based on a methyl tert-butyl ether: methanol: water system for liquid: liquid partitioning of hydrophobic and polar metabolites into two immiscible phases along with the precipitation of proteins and other macromolecules as a solid pellet. This method, therefore, provides three different fractions of specific molecular composition, which are fully compatible with common high throughput 'omics' technologies such as liquid chromatography (LC) or gas chromatography (GC) coupled to mass spectrometers. Even though the method was initially developed for the analysis of different plant tissue samples, it has proved to be fully compatible for the extraction and analysis of biological samples from systems as diverse as algae, insects, and mammalian tissues and cell cultures.

  9. Single-charge craters excavated during subsurface high-explosive experiments at Big Black Test Site, Mississippi

    International Nuclear Information System (INIS)

    Woodruff, W.R.; Bryan, J.B.

    1978-01-01

    Single-charge and row-charge subsurface cratering experiments were performed to learn how close-spacing enhances single-crater dimensions. Our first experimental phase established cratering curves for 60-lb charges of the chemical explosive. For the second phase, to be described in a subsequent report, the Row-cratering experiments were designed and executed. This data report contains excavated dimensions and auxiliary data for the single-charge cratering experiments. The dimensions for the row-charge experiments will be in the other report. Significant changes in the soil's water content appeared to cause a variability in the excavated dimensions. This variability clouded the interpretation and application of the cratering curves obtained

  10. Inclusive photoproduction of single charged particles at high pT

    International Nuclear Information System (INIS)

    Apsimon, R.J.; Flower, P.S.; Hallewell, G.; Morris, J.A.G.; Morris, J.V.; Paterson, C.N.; Sharp, P.H.; Atkinson, M.; Brook, N.; Coyle, P.; Dickinson, B.; Donnachie, A.; Doyle, A.T.; Ellison, R.J.; Foster, J.M.; Hughes-Jones, R.E.; Ibbotson, M.; Kolya, S.D.; Lafferty, G.D.; McCann, H.; McManus, C.; Mercer, D.; Ottewell, P.J.; Reid, D.; Thompson, R.J.; Waterhouse, J.; Barberis, D.; Davenport, M.; Eades, J.; McClatchey, R.; Brodbeck, T.J.; Charity, T.; Clegg, A.B.; Henderson, R.C.W.; Hickman, M.T.; Keemer, N.R.; Newton, D.; O'Connor, A.; Wilson, G.W.; Danaher, S.; Galbraith, W.; Thacker, N.A.; Thompson, L.

    1989-01-01

    Single charged-particle inclusive cross sections for photon, pion and kaon beams on hydrogen at the CERN-SPS are presented as functions of p T and x F . Data cover the range 0.0 T F T < 1.6 GeV/c for the photon-induced data. Using the hadron-induced data to estimate the hadronic behaviour of the photon, the difference distributions and ratios of cross sections are a measure of the contribution of the point-like photon interactions. The data are compared with QCD calculations and show broadly similar features. (orig.)

  11. Charge transport across a single-Cooper-pair transistor coupled to a resonant transmission line

    Energy Technology Data Exchange (ETDEWEB)

    Leppaekangas, Juha [Institut fuer Theoretische Festkoerperphysik, Karlsruhe Institute of Technology, D-76128 Karlsruhe (Germany); Department of Physical Sciences, University of Oulu, FI-90014 Oulu (Finland); Pashkin, Yuri [NEC Nano Electronics Research Laboratories, RIKEN Advanced Science Institute, Tsukuba, Ibaraki 305-8501 (Japan); Thuneberg, Erkki [Department of Physical Sciences, University of Oulu, FI-90014 Oulu (Finland)

    2010-07-01

    We have investigated charge transport in ultrasmall superconducting single and double Josephson junctions coupled to a transmission-line resonator. The microstrip resonator is naturally formed by the on-chip leads and the sample holder. We observe equidistant peaks in the transport characteristics of both types of devices and attribute them to the process involving simultaneous tunneling of Cooper pairs and photon emission into the resonator. The experimental data is well reproduced with the orthodox model of Cooper pair tunneling that accounts for the microwave photon emission into the resonator.

  12. Charging a Capacitor from an External Fluctuating Potential using a Single Conical Nanopore

    Science.gov (United States)

    Gomez, Vicente; Ramirez, Patricio; Cervera, Javier; Nasir, Saima; Ali, Mubarak; Ensinger, Wolfgang; Mafe, Salvador

    2015-01-01

    We explore the electrical rectification of large amplitude fluctuating signals by an asymmetric nanostructure operating in aqueous solution. We show experimentally and theoretically that a load capacitor can be charged to voltages close to 1 V within a few minutes by converting zero time-average potentials of amplitudes in the range 0.5–3 V into average net currents using a single conical nanopore. This process suggests that significant energy conversion and storage from an electrically fluctuating environment is feasible with a nanoscale pore immersed in a liquid electrolyte solution, a system characteristic of bioelectronics interfaces, electrochemical cells, and nanoporous membranes. PMID:25830563

  13. Charging a capacitor from an external fluctuating potential using a single conical nanopore.

    Science.gov (United States)

    Gomez, Vicente; Ramirez, Patricio; Cervera, Javier; Nasir, Saima; Ali, Mubarak; Ensinger, Wolfgang; Mafe, Salvador

    2015-04-01

    We explore the electrical rectification of large amplitude fluctuating signals by an asymmetric nanostructure operating in aqueous solution. We show experimentally and theoretically that a load capacitor can be charged to voltages close to 1 V within a few minutes by converting zero time-average potentials of amplitudes in the range 0.5-3 V into average net currents using a single conical nanopore. This process suggests that significant energy conversion and storage from an electrically fluctuating environment is feasible with a nanoscale pore immersed in a liquid electrolyte solution, a system characteristic of bioelectronics interfaces, electrochemical cells, and nanoporous membranes.

  14. Deflection of high energy channeled charged particles by elastically bent silicon single crystals

    International Nuclear Information System (INIS)

    Gibson, W.M.; Kim, I.J.; Pisharodoy, M.; Salman, S.M.; Sun, C.R.; Wang, G.H.; Wijayawardana, R.; Forster, J.S.; Mitchell, I.V.; Baker, S.I.; Carrigan, R.A. Jr.; Toohig, T.E.; Avdeichikov, V.V.; Ellison, J.A.; Siffert, P.

    1984-01-01

    An experiment has been carried out to observe the deflection of charged particles by planar channeling in bent single crystals of silicon for protons with energy up to 180 GeV. Anomolous loss of particles from the center point of a three point bending apparatus was observed at high incident particle energy. This effect has been exploited to fashion a 'dechanneling spectrometer' to study dechanneling effects due to centripital displacement of channeled particle trajectories in a bent crystal. The bending losses generally conform to the predictions of calculations based on a classical model. (orig.)

  15. Electronic transport in single-helical protein molecules: Effects of multiple charge conduction pathways and helical symmetry

    Energy Technology Data Exchange (ETDEWEB)

    Kundu, Sourav, E-mail: sourav.kunduphy@gmail.com; Karmakar, S.N.

    2016-07-15

    We propose a tight-binding model to investigate electronic transport properties of single helical protein molecules incorporating both the helical symmetry and the possibility of multiple charge transfer pathways. Our study reveals that due to existence of both the multiple charge transfer pathways and helical symmetry, the transport properties are quite rigid under influence of environmental fluctuations which indicates that these biomolecules can serve as better alternatives in nanoelectronic devices than its other biological counterparts e.g., single-stranded DNA.

  16. Solving the Single-Sink, Fixed-Charge, Multiple-Choice Transportation Problem by Dynamic Programming

    DEFF Research Database (Denmark)

    Christensen, Tue; Andersen, Kim Allan; Klose, Andreas

    2013-01-01

    This paper considers a minimum-cost network flow problem in a bipartite graph with a single sink. The transportation costs exhibit a staircase cost structure because such types of transportation cost functions are often found in practice. We present a dynamic programming algorithm for solving...... this so-called single-sink, fixed-charge, multiple-choice transportation problem exactly. The method exploits heuristics and lower bounds to peg binary variables, improve bounds on flow variables, and reduce the state-space variable. In this way, the dynamic programming method is able to solve large...... instances with up to 10,000 nodes and 10 different transportation modes in a few seconds, much less time than required by a widely used mixed-integer programming solver and other methods proposed in the literature for this problem....

  17. The effects of two counterpropagating surface acoustic wave beams on single electron acoustic charge transport

    International Nuclear Information System (INIS)

    He Jianhong; Guo Huazhong; Song Li; Zhang Wei; Gao Jie; Lu Chuan

    2010-01-01

    We present a comprehensive study of the effects of two counterpropagating surface acoustic waves on the acoustoelectric current of single electron transport devices. A significant improvement in the accuracy of current quantization is achieved as a result of an additional surface acoustic wave beam. The experiments reveal the sinusoidally periodical modulation in the acoustoelectric current characteristic as a function of the relative phase of the two surface acoustic wave beams. Besides, by using standing surface acoustic waves, the acoustoelectric current is detected which we consider as the so-called anomalous acoustoelectric current produced by acoustic wave mechanical deformations. This kind current is contributed to one component of the acoustoelectric current in surface acoustic wave device, which could enable us to establish a more adequate description of acoustoelectric effects on single-electron acoustic charge transport.

  18. Persistent Charge-Density-Wave Order in Single-Layer TaSe2.

    Science.gov (United States)

    Ryu, Hyejin; Chen, Yi; Kim, Heejung; Tsai, Hsin-Zon; Tang, Shujie; Jiang, Juan; Liou, Franklin; Kahn, Salman; Jia, Caihong; Omrani, Arash A; Shim, Ji Hoon; Hussain, Zahid; Shen, Zhi-Xun; Kim, Kyoo; Min, Byung Il; Hwang, Choongyu; Crommie, Michael F; Mo, Sung-Kwan

    2018-02-14

    We present the electronic characterization of single-layer 1H-TaSe 2 grown by molecular beam epitaxy using a combined angle-resolved photoemission spectroscopy, scanning tunneling microscopy/spectroscopy, and density functional theory calculations. We demonstrate that 3 × 3 charge-density-wave (CDW) order persists despite distinct changes in the low energy electronic structure highlighted by the reduction in the number of bands crossing the Fermi energy and the corresponding modification of Fermi surface topology. Enhanced spin-orbit coupling and lattice distortion in the single-layer play a crucial role in the formation of CDW order. Our findings provide a deeper understanding of the nature of CDW order in the two-dimensional limit.

  19. SINGLE CHANNEL SEISMIC APPLICATION FOR GAS CHARGED SEDIMENT RECONNAISSANCE IN GEOHAZARD STUDY OF PORT CONSTRUCTION AT WETLAND AREA

    Directory of Open Access Journals (Sweden)

    Taufan Wiguna

    2016-10-01

    Full Text Available Gas charged sediment as a one of parameter for geohazard study in infrastructure especially in swamp area. Instability of sediment layer for exampel subsidence and landslide result in geohazard potention that caused by gas charged sediment. Seismic single channel can be used to identufy gas charged sediment location. Seabed morphology is collected from bathymetry and tidal survey. From seismic profile interpretation shows gas charged sediment indication in Line A and Line B. That indication emerged by presence of acoustic turbid zone and acoustic blanking. Line A and Line B location will be spotlight in next geotechnic port construction study.

  20. Spiro-OMeTAD single crystals: Remarkably enhanced charge-carrier transport via mesoscale ordering

    KAUST Repository

    Shi, Dong

    2016-04-15

    We report the crystal structure and hole-transport mechanism in spiro-OMeTAD [2,2′,7,7′-tetrakis(N,N-di-p-methoxyphenyl-amine)9,9′-spirobifluorene], the dominant hole-transporting material in perovskite and solid-state dye-sensitized solar cells. Despite spiro-OMeTAD’s paramount role in such devices, its crystal structure was unknown because of highly disordered solution-processed films; the hole-transport pathways remained ill-defined and the charge carrier mobilities were low, posing a major bottleneck for advancing cell efficiencies. We devised an antisolvent crystallization strategy to grow single crystals of spiro-OMeTAD, which allowed us to experimentally elucidate its molecular packing and transport properties. Electronic structure calculations enabled us to map spiro-OMeTAD’s intermolecular charge-hopping pathways. Promisingly, single-crystal mobilities were found to exceed their thin-film counterparts by three orders of magnitude. Our findings underscore mesoscale ordering as a key strategy to achieving breakthroughs in hole-transport material engineering of solar cells.

  1. Microfluidic high-throughput culturing of single cells for selection based on extracellular metabolite production or consumption.

    Science.gov (United States)

    Wang, Benjamin L; Ghaderi, Adel; Zhou, Hang; Agresti, Jeremy; Weitz, David A; Fink, Gerald R; Stephanopoulos, Gregory

    2014-05-01

    Phenotyping single cells based on the products they secrete or consume is a key bottleneck in many biotechnology applications, such as combinatorial metabolic engineering for the overproduction of secreted metabolites. Here we present a flexible high-throughput approach that uses microfluidics to compartmentalize individual cells for growth and analysis in monodisperse nanoliter aqueous droplets surrounded by an immiscible fluorinated oil phase. We use this system to identify xylose-overconsuming Saccharomyces cerevisiae cells from a population containing one such cell per 10(4) cells and to screen a genomic library to identify multiple copies of the xylose isomerase gene as a genomic change contributing to high xylose consumption, a trait important for lignocellulosic feedstock utilization. We also enriched L-lactate-producing Escherichia coli clones 5,800× from a population containing one L-lactate producer per 10(4) D-lactate producers. Our approach has broad applications for single-cell analyses, such as in strain selection for the overproduction of fuels, chemicals and pharmaceuticals.

  2. The Fate of a Normal Human Cell Traversed by a Single Charged Particle

    Science.gov (United States)

    Fournier, C.; Zahnreich, S.; Kraft, D.; Friedrich, T.; Voss, K.-O.; Durante, M.; Ritter, S.

    2012-01-01

    The long-term “fate” of normal human cells after single hits of charged particles is one of the oldest unsolved issues in radiation protection and cellular radiobiology. Using a high-precision heavy-ion microbeam we could target normal human fibroblasts with exactly one or five carbon ions and measured the early cytogenetic damage and the late behaviour using single-cell cloning. Around 70% of the first cycle cells presented visible aberrations in mFISH after a single ion traversal, and about 5% of the cells were still able to form colonies. In one third of selected high-proliferative colonies we observed clonal (radiation-induced) aberrations. Terminal differentiation and markers of senescence (PCNA, p16) in the descendants of cells traversed by one carbon ion occurred earlier than in controls, but no evidence of radiation-induced chromosomal instability was found. We conclude that cells surviving single-ion traversal, often carrying clonal chromosome aberrations, undergo accelerated senescence but maintain chromosomal stability. PMID:22966418

  3. The Fate of a Normal Human Cell Traversed by a Single Charged Particle

    Science.gov (United States)

    Fournier, C.; Zahnreich, S.; Kraft, D.; Friedrich, T.; Voss, K.-O.; Durante, M.; Ritter, S.

    2012-09-01

    The long-term ``fate'' of normal human cells after single hits of charged particles is one of the oldest unsolved issues in radiation protection and cellular radiobiology. Using a high-precision heavy-ion microbeam we could target normal human fibroblasts with exactly one or five carbon ions and measured the early cytogenetic damage and the late behaviour using single-cell cloning. Around 70% of the first cycle cells presented visible aberrations in mFISH after a single ion traversal, and about 5% of the cells were still able to form colonies. In one third of selected high-proliferative colonies we observed clonal (radiation-induced) aberrations. Terminal differentiation and markers of senescence (PCNA, p16) in the descendants of cells traversed by one carbon ion occurred earlier than in controls, but no evidence of radiation-induced chromosomal instability was found. We conclude that cells surviving single-ion traversal, often carrying clonal chromosome aberrations, undergo accelerated senescence but maintain chromosomal stability.

  4. Direct Imaging of Highly Anisotropic Photogenerated Charge Separations on Different Facets of a Single BiVO4 Photocatalyst.

    Science.gov (United States)

    Zhu, Jian; Fan, Fengtao; Chen, Ruotian; An, Hongyu; Feng, Zhaochi; Li, Can

    2015-07-27

    Spatially resolved surface photovoltage spectroscopy (SRSPS) was employed to obtain direct evidence for highly anisotropic photogenerated charge separation on different facets of a single BiVO4 photocatalyst. Through the controlled synthesis of a single crystal with preferentially exposed {010} facets, highly anisotropic photogenerated hole transfer to the {011} facet of single BiVO4 crystals was observed. The surface photovoltage signal intensity on the {011} facet was 70 times stronger than that on the {010} facets. The influence of the built-in electric field in the space charge region of different facets on the anisotropic photoinduced charge transfer in a single semiconductor crystal is revealed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Charge transfer dynamics from adsorbates to surfaces with single active electron and configuration interaction based approaches

    Energy Technology Data Exchange (ETDEWEB)

    Ramakrishnan, Raghunathan, E-mail: r.ramakrishnan@unibas.ch [Institute of Physical Chemistry, National Center for Computational Design and Discovery of Novel Materials (MARVEL), Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Nest, Mathias [Theoretische Chemie, Technische Universität München, Lichtenbergstr. 4, 85747 Garching (Germany)

    2015-01-13

    Highlights: • We model electron dynamics across cyano alkanethiolates attached to gold cluster. • We present electron transfer time scales from TD-DFT and TD-CI based simulations. • Both DFT and CI methods qualitatively predict the trend in time scales. • TD-CI predicts the experimental relative time scale very accurately. - Abstract: We employ wavepacket simulations based on many-body time-dependent configuration interaction (TD-CI), and single active electron theories, to predict the ultrafast molecule/metal electron transfer time scales, in cyano alkanethiolates bonded to model gold clusters. The initial states represent two excited states where a valence electron is promoted to one of the two virtual π{sup ∗} molecular orbitals localized on the cyanide fragment. The ratio of the two time scales indicate the efficiency of one charge transfer channel over the other. In both our one-and many-electron simulations, this ratio agree qualitatively with each other as well as with the previously reported experimental time scales (Blobner et al., 2012), measured for a macroscopic metal surface. We study the effect of cluster size and the description of electron correlation on the charge transfer process.

  6. Pharmacokinetics of toltrazuril and its metabolites, toltrazuril sulfoxide and toltrazuril sulfone, after a single oral administration to pigs.

    Science.gov (United States)

    Lim, Jong-Hwan; Kim, Myoung-Seok; Hwang, Youn-Hwan; Song, In-Bae; Park, Byung-Kwon; Yun, Hyo-In

    2010-08-01

    Toltrazuril (TZR) is a triazine-based antiprotozoal agent. Following a single oral administration of TZR at 10 and 20 mg/kg to male pigs, the mean TZR concentration in plasma peaked at 4.24 and 8.18 microg/ml at 15.0 and 12.0 hr post-dose, respectively. TZR absorbed was rapidly converted to the short-lived intermediary metabolite toltrazuril sulfoxide (TZR-SO), and then metabolized to the reactive toltrazuril sulfone (TZR-SO2). TZR-SO2 was actually more slowly eliminated, with average half-lives of 231 and 245 hr, compared with TZR (48.7 and 68.9 hr) or TZR-SO (51.9 and 53.2 hr) in the 10 and 20 mg/kg groups, respectively. This study demonstrates that TZR metabolizes to TZR-SO2 having a long-terminal half-life, enabling the persistent clinical efficacy in the treatment of I. suis infection. In contrast, special consideration should be given to the residual of TZR-SO2.

  7. Transverse target single-spin asymmetry in inclusive electroproduction of charged pions and kaons

    Energy Technology Data Exchange (ETDEWEB)

    Airapetian, A. [Giessen Univ. (Germany). 2. Physikalisches Inst.; Michigan Univ., Ann Arbor, MI (United States). Randall Laboratory of Physics; Akopov, N. [Yerevan Physics Institute (Argentina); Akopov, Z. [DESY Hamburg (Germany)] [and others; Collaboration: HERMES Collaboration

    2013-10-15

    Single-spin asymmetries were investigated in inclusive electroproduction of charged pions and kaons from transversely polarized protons at the HERMES experiment. The asymmetries were studied as a function of the azimuthal angle {psi} about the beam direction between the target-spin direction and the hadron production plane, the transverse hadron momentum P{sub T} relative to the direction of the incident beam, and the Feynman variable x{sub F}. The sin {psi} amplitudes are positive for {pi}{sup +} and K{sup +}, slightly negative for {pi}{sup -} consistent with zero for K{sup -}, with particular P{sub T} but weak x{sub F} dependences. Especially large asymmetries are observed for two small subsamples of events, where also the scattered electron was recorded by the spectrometer.

  8. Chemical properties of astatine positive single-charged ion in aqueous solutions

    International Nuclear Information System (INIS)

    Milanov, M.; Doberents, V.; Khalkin, V.A.; Marinov, A.

    1983-01-01

    The mobility of the oxidized astatine in solutions H(Na)ClO 4 (μ=0.4 M) - 1x10 -4 M K 2 Cr 2 O 7 has been measured at 25 deg C in the interval 0.63 -4 cm 2 V -1 s -1 , pH 0.63 Usub(c)=2.67x10 -4 cm 2 V -1 s -1 . The effect agrees with the opinion that a single-charged cation of astatine formed in acidic solutions is a strong aquacomplex ((Hsub(2)O)sub(x)At)sup(+) (x=1-2) (protonized hypoastatine acid). Deprotonization constant of this cation is Ksub(dp)=0.032+-0.005. Specific properties of the astatine cation are given. They can be explained, probability, through the peculiarities of its structure

  9. Effect of quenched disorder on charge-orbital-spin ordering in single-layer manganites

    International Nuclear Information System (INIS)

    Uchida, Masaya; Mathieu, Roland; He, Jinping; Kaneko, Yoshio; Tokura, Yoshinori; Asamitsu, Atsushi; Kumai, Reiji; Tomioka, Yasuhide; Matsui, Yoshio

    2006-01-01

    Structural and magnetic properties have been investigated for half-doped single-layer manganites RE 0.5 Sr 1.5 MnO 4 [RE=La, (La, Pr), Pr, Nd, Sm, and Eu]. Analyses of electron diffraction and ac susceptibility measurements have revealed that the long-range charge-orbital ordering (CO-OO) state as observed in La 0.5 Sr 1.5 MnO 4 is suppressed for the other materials: the CO-OO transition temperature, as well as the correlation length decreases with a decrease in the cation size of RE. Such a short-range CO-OO state shows a spin-glass behavior at low temperatures. A new electronic phase diagram is established with quenched disorder as the control parameter. (author)

  10. 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.

  11. Transverse target single-spin asymmetry in inclusive electroproduction of charged pions and kaons

    Energy Technology Data Exchange (ETDEWEB)

    Airapetian, A. [II. Physikalisches Institut, Justus-Liebig-Universität Gießen, 35392 Gießen (Germany); Randall Laboratory of Physics, University of Michigan, Ann Arbor, MI 48109-1040 (United States); Akopov, N. [Yerevan Physics Institute, 375036 Yerevan (Armenia); Akopov, Z. [DESY, 22603 Hamburg (Germany); Aschenauer, E.C. [DESY, 15738 Zeuthen (Germany); Augustyniak, W. [National Centre for Nuclear Research, 00-689 Warsaw (Poland); Avakian, R.; Avetissian, A. [Yerevan Physics Institute, 375036 Yerevan (Armenia); Avetisyan, E. [DESY, 22603 Hamburg (Germany); Belostotski, S. [K.P. Konstantinov Petersburg Nuclear Physics Institute, Gatchina, 188300 Leningrad Region (Russian Federation); Bianchi, N. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Frascati, 00044 Frascati (Italy); Blok, H.P. [National Institute for Subatomic Physics (Nikhef), 1009 DB Amsterdam (Netherlands); Department of Physics and Astronomy, VU University, 1081 HV Amsterdam (Netherlands); Borissov, A. [DESY, 22603 Hamburg (Germany); Bowles, J. [SUPA, School of Physics and Astronomy, University of Glasgow, Glasgow G12 8QQ (United Kingdom); Bryzgalov, V. [Institute for High Energy Physics, Protvino, 142281 Moscow Region (Russian Federation); Burns, J. [SUPA, School of Physics and Astronomy, University of Glasgow, Glasgow G12 8QQ (United Kingdom); Capiluppi, M. [Istituto Nazionale di Fisica Nucleare, Sezione di Ferrara and Dipartimento di Fisica e Scienze della Terra, Università di Ferrara, 44122 Ferrara (Italy); Capitani, G.P. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali di Frascati, 00044 Frascati (Italy); Cisbani, E. [Istituto Nazionale di Fisica Nucleare, Sezione di Roma, Gruppo Collegato Sanità and Istituto Superiore di Sanità, 00161 Roma (Italy); and others

    2014-01-20

    Single-spin asymmetries were investigated in inclusive electroproduction of charged pions and kaons from transversely polarized protons at the HERMES experiment. The asymmetries were studied as a function of the azimuthal angle ψ about the beam direction between the target-spin direction and the hadron production plane, the transverse hadron momentum P{sub T} relative to the direction of the incident beam, and the Feynman variable x{sub F}. The sin ψ amplitudes are positive for π{sup +} and K{sup +}, slightly negative for π{sup −} and consistent with zero for K{sup −}, with particular P{sub T} but weak x{sub F} dependences. Especially large asymmetries are observed for two small subsamples of events, where also the scattered electron was recorded by the spectrometer.

  12. Charging the quantum capacitance of graphene with a single biological ion channel.

    Science.gov (United States)

    Wang, Yung Yu; Pham, Ted D; Zand, Katayoun; Li, Jinfeng; Burke, Peter J

    2014-05-27

    The interaction of cell and organelle membranes (lipid bilayers) with nanoelectronics can enable new technologies to sense and measure electrophysiology in qualitatively new ways. To date, a variety of sensing devices have been demonstrated to measure membrane currents through macroscopic numbers of ion channels. However, nanoelectronic based sensing of single ion channel currents has been a challenge. Here, we report graphene-based field-effect transistors combined with supported lipid bilayers as a platform for measuring, for the first time, individual ion channel activity. We show that the supported lipid bilayers uniformly coat the single layer graphene surface, acting as a biomimetic barrier that insulates (both electrically and chemically) the graphene from the electrolyte environment. Upon introduction of pore-forming membrane proteins such as alamethicin and gramicidin A, current pulses are observed through the lipid bilayers from the graphene to the electrolyte, which charge the quantum capacitance of the graphene. This approach combines nanotechnology with electrophysiology to demonstrate qualitatively new ways of measuring ion channel currents.

  13. Cavity-Enhanced Real-Time Monitoring of Single-Charge Jumps at the Microsecond Time Scale

    Science.gov (United States)

    Arnold, C.; Loo, V.; Lemaître, A.; Sagnes, I.; Krebs, O.; Voisin, P.; Senellart, P.; Lanco, L.

    2014-04-01

    We use fast coherent reflectivity measurements, in a strongly coupled quantum dot micropillar device, to monitor in real time single-charge jumps at the microsecond time scale. Thanks to the strong enhancement of light-matter interaction inside the cavity, and to a close to shot-noise-limited detection setup, the measurement rate is 5 orders of magnitude faster than with previous optical experiments of direct single-charge sensing with quantum dots. The monitored transitions, identified at any given time with a less than 0.2% error probability, correspond to a carrier being captured and then released by a single material defect. This high-speed technique opens the way for the real-time monitoring of other rapid single quantum events, such as the quantum jumps of a single spin.

  14. Chiral separation of tedizolid using charge single isomer derivatives of cyclodextrins by capillary electrokinetic chromatography.

    Science.gov (United States)

    Michalska, Katarzyna; Gruba, Ewa; Cielecka-Piontek, Judyta; Bednarek, Elżbieta

    2016-02-20

    A method to enantioseparate tedizolid (TED), the second analogue after linezolid (LIN) in a truly new class of antibacterial agents, the oxazolidinones, was developed based on capillary electrokinetic chromatography using cyclodextrin as chiral pseudophase (CD-cEKC). The single isomer R-tedizolid possesses one chiral centre at C5 of the oxazolidinone ring, which is associated with the antibacterial activity of the drug. Tedizolid enantiomers are non-charged and therefore require the use of charged cyclodextrins (CCDs) as carrier hosts to achieve a velocity difference during migration. During method development, hydrophilic anionic single-isomer and moderately hydrophobic and hydrophobic cyclodextrins were tested, including heptakis-(2,3-dihydroxy-6-sulfo)-β-cyclodextrin (HS-β-CD), heptakis-(2,3-diacetyl-6-sulfo)-β-cyclodextrin (HDAS-β-CD), oktakis-(2,3-diacetyl-6-sulfo)-γ-cyclodextrin (ODAS-γ-CD) and heptakis-(2,3-dimethyl-6-sulfo)-β-cyclodextrin (HDMS-β-CD). Only CDs that have acetyl groups at the C2 and C3 positions with seven (HDAS-β-CD) or eight (ODAS-γ-CD) residues of glucopyranose units provided baseline separation of the tedizolid enantiomers with the addition of organic solvent. During the experiments, different organic solvents were tested, such as methanol, acetonitrile, tetrahydrofuran, which varied in their abilities to donate or accept protons. The best enantiomer separation results were obtained using the CD-cEKC method with 37.5mM HDAS-β-CD dissolved in 50mM formic buffer (pH 4.0) with the addition of acetonitrile (81.4:18.6, v/v) at 27ºC, normal polarity, and 12kV. Finally, the apparent binding constants for each enantiomer-HDAS-β-CD pair were calculated. Moreover, in order to evaluate the behaviour of TED and LIN enantiomers relative to chiral selector, enantioselective interactions towards the precursors of TED and LIN isomers were also investigated. Copyright © 2015 Elsevier B.V. All rights reserved.

  15. Effective potentials for charge-helium and charge-singly-ionized helium interactions in a dense plasma

    Energy Technology Data Exchange (ETDEWEB)

    Ramazanov, T.S.; Amirov, S.M.; Moldabekov, Zh.A. [Institute for Experimental and Theoretical Physics, Al-Farabi Kazakh National University, Almaty (Kazakhstan)

    2016-06-15

    The effective electron (proton)-He and electron (proton)-He{sup +} screened pair interaction potentials arising as a result of partial screening of the helium nucleus field by bound electrons, taking into account both screening by free charged particles and quantum diffraction effect in dense plasmas were derived. The impact of quantum effects on screening was analyzed. It was shown that plasma polarization around the atom leads to the additional repulsion (attraction) between the electron (proton) and the helium atom. The method of constructing the full electron (proton)-He and electron (proton)-He{sup +} screened pair interaction potentials as the sum of the derived potentials with the polarization potential and exchange potential is discussed. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  16. Controlling charges distribution at the surface of a single GaN nanowire by in-situ strain

    Directory of Open Access Journals (Sweden)

    Xiao Chen

    2017-08-01

    Full Text Available Effect of the strain on the charge distribution at the surface of a GaN semiconductor nanowire (NW has been investigated inside transmission electron microscope (TEM by in-situ off-axis electron holography. The outer and inner surfaces of the NW bent axially under compression of two Au electrodes were differently strained, resulting in difference of their Fermi levels. Consequently, the free electrons flow from the high Fermi level to the low level until the two Fermi levels aligned in a line. The potential distributions induced by charge redistribution in the two vacuum sides of the bent NW were examined respectively, and the opposite nature of the bounded charges on the outer and inner surfaces of the bent NW was identified. The results provide experimental evidence that the charge distribution at the surfaces of a single GaN NW can be controlled by different strains created along the NW.

  17. Charge enhancement of single-stranded DNA in negative electrospray ionization using the supercharging reagent meta-nitrobenzyl alcohol.

    Science.gov (United States)

    Brahim, Bessem; Alves, Sandra; Cole, Richard B; Tabet, Jean-Claude

    2013-12-01

    Charge enhancement of single-stranded oligonucleotide ions in negative ESI mode is investigated. The employed reagent, meta-nitrobenzyl alcohol (m-NBA), was found to improve total signal intensity (Itot), increase the highest observed charge states (zhigh), and raise the average charge states (zavg) of all tested oligonucleotides analyzed in negative ESI. To quantify these increases, signal enhancement ratios (SER1%) and charge enhancement coefficients (CEC1%) were introduced. The SER1%, (defined as the quotient of total oligonucleotide ion abundances with 1% m-NBA divided by total oligonucleotide abundance without m-NBA) was found to be greater than unity for every oligonucleotide tested. The CEC1% values (defined as the average charge state in the presence of 1% m-NBA minus the average charge state in the absence of m-NBA) were found to be uniformly positive. Upon close inspection, the degree of charge enhancement for longer oligonucleotides was found to be dependent upon thymine density (i.e., the number and the location of phospho-thymidine units). A correlation between the charge enhancement induced by the presence of m-NBA and the apparent gas-phase acidity (largely determined by the sequence of thymine units but also by the presence of protons on other nucleobases) of multiply deprotonated oligonucleotide species, was thus established. Ammonium cations appeared to be directly involved in the m-NBA supercharging mechanism, and their role seems to be consistent with previously postulated ESI mechanisms describing desorption/ionization of single-stranded DNA into the gas phase.

  18. Charge Enhancement of Single-Stranded DNA in Negative Electrospray Ionization Using the Supercharging Reagent Meta-nitrobenzyl Alcohol

    Science.gov (United States)

    Brahim, Bessem; Alves, Sandra; Cole, Richard B.; Tabet, Jean-Claude

    2013-12-01

    Charge enhancement of single-stranded oligonucleotide ions in negative ESI mode is investigated. The employed reagent, meta-nitrobenzyl alcohol (m-NBA), was found to improve total signal intensity (Itot), increase the highest observed charge states (zhigh), and raise the average charge states (zavg) of all tested oligonucleotides analyzed in negative ESI. To quantify these increases, signal enhancement ratios (SER1%) and charge enhancement coefficients (CEC1%) were introduced. The SER1%, (defined as the quotient of total oligonucleotide ion abundances with 1 % m-NBA divided by total oligonucleotide abundance without m-NBA) was found to be greater than unity for every oligonucleotide tested. The CEC1% values (defined as the average charge state in the presence of 1 % m-NBA minus the average charge state in the absence of m-NBA) were found to be uniformly positive. Upon close inspection, the degree of charge enhancement for longer oligonucleotides was found to be dependent upon thymine density (i.e., the number and the location of phospho-thymidine units). A correlation between the charge enhancement induced by the presence of m-NBA and the apparent gas-phase acidity (largely determined by the sequence of thymine units but also by the presence of protons on other nucleobases) of multiply deprotonated oligonucleotide species, was thus established. Ammonium cations appeared to be directly involved in the m-NBA supercharging mechanism, and their role seems to be consistent with previously postulated ESI mechanisms describing desorption/ionization of single-stranded DNA into the gas phase.

  19. A Single-Phase Transformerless Inverter With Charge Pump Circuit Concept for Grid-Tied PV Applications

    DEFF Research Database (Denmark)

    Ardashir, Jaber Fallah; Sabahi, Mehran; Hosseini, Seyed Hossein

    2017-01-01

    This paper proposes a new single-phase transformerless photovoltaic (PV) inverter for grid-tied PV systems. The topology is derived from the concept of a charge pump circuit in order to eliminate the leakage current. It is composed of four power switches, two diodes, two capacitors, and an LCL ou...

  20. Development of a Charged Particle Microbeam for Single-Particle Subcellular Irradiations at the MIT Laboratory for Accelerator Beam Application

    International Nuclear Information System (INIS)

    Yanch, Jacquelyn C.

    2004-01-01

    The development of a charged particle microbeam for single particle, subcellular irradiations at the Massachusetts Institute of Technology Laboratory for Accelerator Beam Applications (MIT LABA) was initiated under this NEER aeard. The Microbeam apparatus makes use of a pre-existing electrostatic accelerator with a horizontal beam tube

  1. Molecular simulation of flavin adenine dinucleotide immobilized on charged single-walled carbon nanotubes for biosensor applications.

    Science.gov (United States)

    Yang, Guang; Kang, Zhengzhong; Ye, Xuesong; Wu, Tao; Zhu, Qin

    2012-12-01

    The reconstitution of apo-glucose oxidase (apo-GOx) on single-walled carbon nanotubes (SWNTs) functionalized with the cofactor, flavin adenine dinucleotide (FAD), greatly improved electron transfer turnover rate of the redox reactions in glucose sensing with glucose sensors. The research reported here is aimed to better understand molecular details of affection of the charging SWNT to the conformational changes of FAD, in order to find a rational design and selection scheme of SWNT which is suitable for the FAD and apo-GOx to perform their reconstitution. In this report, molecular simulations of FAD functionalized differently charged SWNTs were carried outin an aqueous environment, with counterions to maintain total charge neutrality. The conformation and orientation changes were observed by both trajectory and quantitative analyses. The simulation results showed that in both uncharged and positively charged SWNT situations, FAD adsorbed onto SWNT at the end of the simulations, which increased the steric resistance of molecules and hindered the reconstitution of apo-GOx and FAD to some degree. By contrast, FAD functionalized negatively charged SWNT maintained its original conformation largely. In addition, negatively charged SWNT may be the best choice for electron transfer mediator for the reconstitution of apo-GOx on relay-cofactor units associated with electrodes. Copyright © 2012 Elsevier Ltd. All rights reserved.

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

    Science.gov (United States)

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

    2017-09-01

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

  3. Transparent Flash Memory using Single Ta2O5 Layer for both Charge Trapping and Tunneling Dielectrics

    KAUST Repository

    Hota, Mrinal Kanti

    2017-06-08

    We report reproducible multibit transparent flash memory in which a single solution-derived Ta2O5 layer is used simultaneously as charge trapping and tunneling layer. This is different from conventional flash cells, where two different dielectric layers are typically used. Under optimized programming/erasing operations, the memory device shows excellent programmable memory characteristics with a maximum memory window of ~10 V. Moreover, the flash memory device shows a stable 2-bit memory performance, good reliability, including data retention for more than 104 sec and endurance performance for more than 100 cycles. The use of a common charge trapping and tunneling layer can simplify advanced flash memory fabrication.

  4. Charge integration successive approximation analog-to-digital converter for focal plane applications using a single amplifier

    Science.gov (United States)

    Zhou, Zhimin (Inventor); Pain, Bedabrata (Inventor)

    1999-01-01

    An analog-to-digital converter for on-chip focal-plane image sensor applications. The analog-to-digital converter utilizes a single charge integrating amplifier in a charge balancing architecture to implement successive approximation analog-to-digital conversion. This design requires minimal chip area and has high speed and low power dissipation for operation in the 2-10 bit range. The invention is particularly well suited to CMOS on-chip applications requiring many analog-to-digital converters, such as column-parallel focal-plane architectures.

  5. Measurement of Muon Neutrino Charged Current Single $\\pi^0$ Production on Hydrocarbon using MINERvA

    Energy Technology Data Exchange (ETDEWEB)

    Altinok, Ozgur [Tufts Univ., Medford, MA (United States)

    2017-01-01

    A sample of charged-current single pion production events for the semi- exclusive channel νµ + CH → µ-π0 + nucleon(s) has been obtained using neutrino exposures of the MINERvA detector. Differential cross sections for muon momentum, muon production angle, pion momentum, pion production angle, and four-momentum transfer square Q2 are reported and are compared to a GENIE-based simulation. The cross section versus neutrino energy is also re- ported. The effects of pion final-state interactions on these cross sections are investigated. The effect of baryon resonance suppression at low Q2 is examined and an event re-weight used by two previous experiments is shown to improve the data versus simulation agreement. The differential cross sections for Q2 for Eν < 4.0 GeV and Eν ≥ 4.0 GeV are examined and the shapes of these distributions are compared to those from the experiment’s $\\bar{v}$µ-CC (π0) measurement. The polarization of the pπ0 system is measured and compared to the simulation predictions. The hadronic invariant mass W distribution is examined for evidence of resonance content, and a search is reported for evidence of a two-particle two-hole (2p2h) contribution. All of the differential cross-section measurements of this Thesis are compared with published MINERvA measurements for νµ-CC (π+) and \\bar{v}$µ-CC (π0) processes.

  6. Spectroscopy of Charge Carriers and Traps in Field-Doped Single Crystal Organic Semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Zhu, Xiaoyang [Columbia Univ., New York, NY (United States); Frisbie, Daniel [Univ. of Minnesota, Minneapolis, MN (United States)

    2017-03-31

    The proposed research aims to achieve quantitative, molecular level understanding of charge carriers and traps in field-doped crystalline organic semiconductors via in situ linear and nonlinear optical spectroscopy, in conjunction with transport measurements and molecular/crystal engineering.

  7. Ionization in matrix-assisted laser desorption/ionization: singly charged molecular ions are the lucky survivors.

    Science.gov (United States)

    Karas, M; Glückmann, M; Schäfer, J

    2000-01-01

    A new model for the ionization processes in UV matrix-assisted laser desorption/ionization (MALDI) which accounts for the major phenomena observed is presented and discussed. The model retains elements of earlier approaches, such as photoionization and photochemical reactions, but it redefines these in the light of new working questions, most importantly why only singly charged ions are detected. Based on experimental evidence, the formation of singly and multiply charged clusters by a deficiency/excess of ions and also by photoionization and subsequent photochemical processes is pointed out to be the major ionization processes, which typically occur in parallel. The generation of electrons and their partial loss into the surrounding vacuum and solid, on the one hand, results in a positively charged ion-neutral plume facilitating a high overall ionization yield. On the other hand, these electrons, and also the large excess of protonated matrix ions in the negative ion mode, induce effective ion reneutralization in the plume. These neutralization processes are most effective for the highly charged cluster ions initially formed. Their fragmentation behaviour is evidenced in fast metastable fragmentation characteristics and agrees well with an electron capture dissociation mechanism and the enthalpy transfer upon neutralization forms the rationale for the prominent fragmentation and intense chemical noise accompanying successful MALDI. Within the course of the paper, cross-correlations with other desorption/ionization techniques and with earlier discussions on their mechanisms are drawn. Copyright 2000 John Wiley & Sons, Ltd.

  8. Effect of body biasing on single-event induced charge collection in deep N-well technology

    International Nuclear Information System (INIS)

    Ding Yi; Hu Jian-Guo; Tan Hong-Zhou; Qin Jun-Rui

    2015-01-01

    As the device size decreases, the soft error induced by space ions is becoming a great concern for the reliability of integrated circuits (ICs). At present, the body biasing technique is widely used in highly scaled technologies. In the paper, using the three-dimensional technology computer-aided design (TCAD) simulation, we analyze the effect of the body biasing on the single-event charge collection in deep N-well technology. Our simulation results show that the body biasing mainly affects the behavior of the source, and the effect of body biasing on the charge collection for the nMOSFET and pMOSFET is quite different. For the nMOSFET, the RBB will increase the charge collection, while the FBB will reduce the charge collection. For the pMOSFET, the effect of RBB on the SET pulse width is small, while the FBB has an adverse effect. Moreover, the differenceof the effect of body biasing on the charge collection is compared in deep N-well and twin well. (paper)

  9. Single-Cell Mass Spectrometry Reveals Changes in Lipid and Metabolite Expression in RAW 264.7 Cells upon Lipopolysaccharide Stimulation

    Science.gov (United States)

    Yang, Bo; Patterson, Nathan Heath; Tsui, Tina; Caprioli, Richard M.; Norris, Jeremy L.

    2018-03-01

    It has been widely recognized that individual cells that exist within a large population of cells, even if they are genetically identical, can have divergent molecular makeups resulting from a variety of factors, including local environmental factors and stochastic processes within each cell. Presently, numerous approaches have been described that permit the resolution of these single-cell expression differences for RNA and protein; however, relatively few techniques exist for the study of lipids and metabolites in this manner. This study presents a methodology for the analysis of metabolite and lipid expression at the level of a single cell through the use of imaging mass spectrometry on a high-performance Fourier transform ion cyclotron resonance mass spectrometer. This report provides a detailed description of the overall experimental approach, including sample preparation as well as the data acquisition and analysis strategy for single cells. Applying this approach to the study of cultured RAW264.7 cells, we demonstrate that this method can be used to study the variation in molecular expression with cell populations and is sensitive to alterations in that expression that occurs upon lipopolysaccharide stimulation. [Figure not available: see fulltext.

  10. The associated charged particle multiplicity of high-p/sub T/ pi /sup 0/ and single-photon events

    CERN Document Server

    Diakonou, M; Albrow, M G; Almehed, S; Benary, O; Bøggild, H; Botner, O; Cnops, A M; Cockerill, D J A; Dagan, S; Dahl-Jensen, Erik; Dahl-Jensen, I; Damgaard, G; Fabjan, Christian Wolfgang; Filippas-Tassos, A; Fokitis, E; Fowler, E C; Hallgren, A; Hansen, K H; Henning, S; Hood, D M; Hooper, J; Jarlskog, G; Karpathopoulos, S; Killian, T; Kourkoumelis, C; Kreisler, M; Lissauer, D; Lörstad, B; Ludlam, T; Mannelli, I; McCubbin, N A; Melin, A; Mjörnmark, U; Møller, R; Molzon, W; Mouzourakis, P; Nielsen, B S; Nielsen, S O; Nilsson, A; Oren, Y; Palmer, R B; Rahm, David Charles; Rehak, P; Resvanis, L K; Rosselt, L; Schistad, B; Stumer, I; Svensson, L; von Dardel, Guy F; Willis, W J

    1980-01-01

    The associated charged particle multiplicities of high-p/sub T/ pi /sup 0/ and single-photon events were measured at the CERN intersecting storage rings using lead/liquid-argon calorimeters and a scintillation counter array placed around the intersection region. The average multiplicity on the trigger side for the single-photon events was found to be significantly lower than that for the pi /sup 0/ events. The away-side multiplicity for both pi /sup 0/ and single- photon events increases with the trigger particle p/sub T/, but, at a fixed p/sub T/, the direct photon sample was found to have a slightly lower average multiplicity. The differences in the event structure can be explained if a large fraction of the single photons are produced via qg to gamma q constituent scattering. (16 refs).

  11. Interaction of singly and multiply charged ions with a lithium-fluoride surface

    CERN Document Server

    Wirtz, L

    2001-01-01

    Charge transfer between slow ions and an ionic crystal surface still poses a considerable challenge to theory due to the intrinsic many-body character of the system. For the neutralization of multiply charged ions in front of metal surfaces, the Classical Over the Barrier (COB) model is a widely used tool. We present an extension of this model to ionic crystal surfaces where the localization of valence electrons at the anion sites and the lack of cylindrical symmetry of the ion-surface system impede a simple analytical estimate of electron transfer rates. We use a classical trajectory Monte Carlo approach to calculate electron transfer rates for different charge states of the projectile ion. With these rates we perform a Monte Carlo simulation of the neutralization of slow Ne10+ ions in vertical incidence on an LiF surface. Capture of one or several electrons may lead to a local positive charge up of the surface. The projectile dynamics depends on the balance between the repulsion due to this charge and the a...

  12. Detection of singly- and doubly-charged quaternary ammonium drugs in equine urine by liquid chromatography/tandem mass spectrometry.

    Science.gov (United States)

    Ho, Emmie N M; Kwok, W H; Wong, April S Y; Wan, Terence S M

    2012-01-13

    Quaternary ammonium drugs (QADs) are anticholinergic agents some of which are known to have been abused or misused in equine sports. A recent review of literature shows that the screening methods reported thus far for QADs mainly cover singly-charged QADs. Doubly-charged QADs are extremely polar substances which are difficult to be extracted and poorly retained on reversed-phase columns. It would be ideal if a comprehensive method can be developed which can detect both singly- and doubly-charged QADs. This paper describes an efficient liquid chromatography/tandem mass spectrometry (LC/MS/MS) method for the simultaneous detection and confirmation of 38 singly- and doubly-charged QADs at sub-parts-per-billion (ppb) to low-ppb levels in equine urine after solid-phase extraction. Quaternary ammonium drugs were extracted from equine urine by solid-phase extraction (SPE) using an ISOLUTE(®) CBA SPE column and analysed by LC/MS/MS in the positive electrospray ionisation mode. Separation of the 38 QADs was achieved on a polar group embedded C18 LC column with a mixture of aqueous ammonium formate (pH 3.0, 10 mM) and acetonitrile as the mobile phase. Detection and confirmation of the 38 QADs at sub-ppb to low-ppb levels in equine urine could be achieved within 16 min using selected reaction monitoring (SRM). Matrix interference of the target transitions at the expected retention times was not observed. Other method validation data, including precision and recovery, were acceptable. The method was successfully applied to the analyses of drug-administration samples. Copyright © 2011 Elsevier B.V. All rights reserved.

  13. Realization of a Cascaded Quantum System: Heralded Absorption of a Single Photon Qubit by a Single-Electron Charged Quantum Dot.

    Science.gov (United States)

    Delteil, Aymeric; Sun, Zhe; Fält, Stefan; Imamoğlu, Atac

    2017-04-28

    Photonic losses pose a major limitation for the implementation of a quantum state transfer between nodes of a quantum network. A measurement that heralds a successful transfer without revealing any information about the qubit may alleviate this limitation. Here, we demonstrate the heralded absorption of a single photonic qubit, generated by a single neutral quantum dot, by a single-electron charged quantum dot that is located 5 m away. The transfer of quantum information to the spin degree of freedom takes place upon the emission of a photon; for a properly chosen or prepared quantum dot, the detection of this photon yields no information about the qubit. We show that this process can be combined with local operations optically performed on the destination node by measuring classical correlations between the absorbed photon color and the final state of the electron spin. Our work suggests alternative avenues for the realization of quantum information protocols based on cascaded quantum systems.

  14. Nanometer-size surface modification produced by single, low energy, highly charged ions

    International Nuclear Information System (INIS)

    Stockli, M.P.

    1994-01-01

    Atomically flat surfaces of insulators have been bombarded with low energy, highly charged ions to search for nanometer-size surface modifications. It is expected that the high electron deficiency of highly charged ions will capture and/or remove many of the insulator's localized electrons when impacting on an insulating surface. The resulting local electron deficiency is expected to locally disintegrate the insulator through a open-quotes Coulomb explosionclose quotes forming nanometer-size craters. Xe ions with charge states between 10+ and 45+ and kinetic energies between 0 and 10 keV/q were obtained from the KSU-CRYEBIS, a CRYogenic Electron Beam Ion Source and directed onto various insulating materials. Mica was favored as target material as atomically flat surfaces can be obtained reliably through cleaving. However, the authors observations with an atomic force microscope have shown that mica tends to defoliate locally rather than disintegrate, most likely due to the small binding forces between adjacent layers. So far the authors measurements indicate that each ion produces one blister if the charge state is sufficiently high. The blistering does not seem to depend very much on the kinetic energy of the ions

  15. Profiling convoluted single-dimension proton NMR spectra: a Plackett-Burman approach for assessing quantification error of metabolites in complex mixtures with application to cell culture.

    Science.gov (United States)

    Sokolenko, Stanislav; Blondeel, Eric J M; Azlah, Nada; George, Ben; Schulze, Steffen; Chang, David; Aucoin, Marc G

    2014-04-01

    Single-dimension hydrogen, or proton, nuclear magnetic resonance spectroscopy (1D-(1)H NMR) has become an attractive option for characterizing the full range of components in complex mixtures of small molecular weight compounds due to its relative simplicity, speed, spectral reproducibility, and noninvasive sample preparation protocols compared to alternative methods. One challenge associated with this method is the overlap of NMR resonances leading to "convoluted" spectra. While this can be mitigated through "targeted profiling", there is still the possibility of increased quantification error. This work presents the application of a Plackett-Burman experimental design for the robust estimation of precision and accuracy of 1D-(1)H NMR compound quantification in synthetic mixtures, with application to mammalian cell culture supernatant. A single, 20 sample experiment was able to provide a sufficient estimate of bias and variability at different metabolite concentrations. Two major sources of bias were identified: incorrect interpretation of singlet resonances and the quantification of resonances from protons in close proximity to labile protons. Furthermore, decreases in measurement accuracy and precision could be observed with decreasing concentration for a small fraction of the components as a result of their particular convolution patterns. Finally, the importance of a priori concentration estimates is demonstrated through the example of interpreting acetate metabolite trends from a bioreactor cultivation of Chinese hamster ovary cells expressing a recombinant antibody.

  16. Long-Lived Charge Separation at Heterojunctions between Semiconducting Single-Walled Carbon Nanotubes and Perylene Diimide Electron Acceptors

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Hyun Suk [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Arias, Dylan H [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Blackburn, Jeffrey L [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Sisto, Thomas J. [Columbia University; Peurifoy, Samuel [Columbia University; Zhang, Boyuan [Columbia University; Nuckolls, Colin [Columbia University

    2018-04-13

    Nonfullerene electron acceptors have facilitated a recent surge in the efficiencies of organic solar cells, although fundamental studies of the nature of exciton dissociation at interfaces with nonfullerene electron acceptors are still relatively sparse. Semiconducting single-walled carbon nanotubes (s-SWCNTs), unique one-dimensional electron donors with molecule-like absorption and highly mobile charges, provide a model system for studying interfacial exciton dissociation. Here, we investigate excited-state photodynamics at the heterojunction between (6,5) s-SWCNTs and two perylene diimide (PDI)-based electron acceptors. Each of the PDI-based acceptors, hPDI2-pyr-hPDI2 and Trip-hPDI2, is deposited onto (6,5) s-SWCNT films to form a heterojunction bilayer. Transient absorption measurements demonstrate that photoinduced hole/electron transfer occurs at the photoexcited bilayer interfaces, producing long-lived separated charges with lifetimes exceeding 1.0 us. Both exciton dissociation and charge recombination occur more slowly for the hPDI2-pyr-hPDI2 bilayer than for the Trip-hPDI2 bilayer. To explain such differences, we discuss the potential roles of the thermodynamic charge transfer driving force available at each interface and the different molecular structure and intermolecular interactions of PDI-based acceptors. Detailed photophysical analysis of these model systems can develop the fundamental understanding of exciton dissociation between organic electron donors and nonfullerene acceptors, which has not been systematically studied.

  17. Large-Scale Single Particle and Cell Trapping based on Rotating Electric Field Induced-Charge Electroosmosis.

    Science.gov (United States)

    Wu, Yupan; Ren, Yukun; Tao, Ye; Hou, Likai; Jiang, Hongyuan

    2016-12-06

    We propose a simple, inexpensive microfluidic chip for large-scale trapping of single particles and cells based on induced-charge electroosmosis in a rotating electric field (ROT-ICEO). A central floating electrode array, was placed in the center of the gap between four driving electrodes with a quadrature configuration and used to immobilize single particles or cells. Cells were trapped on the electrode array by the interaction between ROT-ICEO flow and buoyancy flow. We experimentally optimized the efficiency of trapping single particles by investigating important parameters like particle or cell density and electric potential. Experimental and numerical results showed good agreement. The operation of the chip was verified by trapping single polystyrene (PS) microspheres with diameters of 5 and 20 μm and single yeast cells. The highest single particle occupancy of 73% was obtained using a floating electrode array with a diameter of 20 μm with an amplitude voltage of 5 V and frequency of 10 kHz for PS microbeads with a 5-μm diameter and density of 800 particles/μL. The ROT-ICEO flow could hold cells against fluid flows with a rate of less than 0.45 μL/min. This novel, simple, robust method to trap single cells has enormous potential in genetic and metabolic engineering.

  18. Transparent Flash Memory Using Single Ta2O5Layer for Both Charge-Trapping and Tunneling Dielectrics.

    Science.gov (United States)

    Hota, Mrinal K; Alshammari, Fwzah H; Salama, Khaled N; Alshareef, Husam N

    2017-07-05

    We report reproducible multibit transparent flash memory in which a single solution-derived Ta 2 O 5 layer is used simultaneously as a charge-trapping layer and a tunneling layer. This is different from conventional flash memory cells where two different dielectric layers are typically used. Under optimized programming/erasing operations, the memory device shows excellent programmable memory characteristics with a maximum memory window of ∼10.7 V. Moreover, the flash memory device shows a stable 2-bit memory performance and good reliability, including data retention for more than 10 4 s and endurance performance for more than 100 cycles. The use of a common charge-trapping and tunneling layer can simplify the fabrication of advanced flash memories.

  19. Visualization of single-wall carbon nanotube (SWNT) networks in conductive polystyrene nanocomposites by charge contrast imaging

    International Nuclear Information System (INIS)

    Loos, Joachim; Alexeev, Alexander; Grossiord, Nadia; Koning, Cor E.; Regev, Oren

    2005-01-01

    The morphology of conductive nanocomposites consisting of low concentration of single-wall carbon nanotubes (SWNT) and polystyrene (PS) has been studied using atomic force microscopy (AFM), transmission electron microscopy (TEM) and, in particular, scanning electron microscopy (SEM). Application of charge contrast imaging in SEM allows visualization of the overall SWNT dispersion within the polymer matrix as well as the identification of individual or bundled SWNTs at high resolution. The contrast mechanism involved will be discussed. In conductive nanocomposites the SWNTs are homogeneously dispersed within the polymer matrix and form a network. Beside fairly straight SWNTs, strongly bended SWNTs have been observed. However, for samples with SWNT concentrations below the percolation threshold, the common overall charging behavior of an insulating material is observed preventing the detailed morphological investigation of the sample

  20. Analysis of some greedy algorithms for the single-sink fixed-charge transportation problem

    DEFF Research Database (Denmark)

    Görtz, Simon; Klose, Andreas

    2009-01-01

    -charge transportation problem. Nevertheless, just a few methods for solving this problem have been proposed in the literature. In this paper, some greedy heuristic solutions methods for the SSFCTP are investigated. It is shown that two greedy approaches for the SSFCTP known from the literature can be arbitrarily bad......, whereas an approximation algorithm proposed in the literature for the binary min-knapsack problem has a guaranteed worst case bound if adapted accordingly to the case of the SSFCTP....

  1. Single-hole spectral function and spin-charge separation in the t-J model

    Science.gov (United States)

    Mishchenko, A. S.; Prokof'ev, N. V.; Svistunov, B. V.

    2001-07-01

    Worm algorithm Monte Carlo simulations of the hole Green function with subsequent spectral analysis were performed for 0.1hole spectral function in the thermodynamic limit. Spectral analysis reveals a δ-function-sharp quasiparticle peak at the lower edge of the spectrum that is incompatible with the power-law singularity and thus rules out the possibility of spin-charge separation in this parameter range. Spectral continuum features two peaks separated by a gap ~4÷5 t.

  2. Single ion induced surface nanostructures: a comparison between slow highly charged and swift heavy ions.

    Science.gov (United States)

    Aumayr, Friedrich; Facsko, Stefan; El-Said, Ayman S; Trautmann, Christina; Schleberger, Marika

    2011-10-05

    This topical review focuses on recent advances in the understanding of the formation of surface nanostructures, an intriguing phenomenon in ion-surface interaction due to the impact of individual ions. In many solid targets, swift heavy ions produce narrow cylindrical tracks accompanied by the formation of a surface nanostructure. More recently, a similar nanometric surface effect has been revealed for the impact of individual, very slow but highly charged ions. While swift ions transfer their large kinetic energy to the target via ionization and electronic excitation processes (electronic stopping), slow highly charged ions produce surface structures due to potential energy deposited at the top surface layers. Despite the differences in primary excitation, the similarity between the nanostructures is striking and strongly points to a common mechanism related to the energy transfer from the electronic to the lattice system of the target. A comparison of surface structures induced by swift heavy ions and slow highly charged ions provides a valuable insight to better understand the formation mechanisms. © 2011 IOP Publishing Ltd

  3. A comparison of three fecal steroid metabolites for pregnancy detection used with single sampling in bighorn sheep (Ovis canadensis)

    Science.gov (United States)

    Schoenecker, K.A.; Lyda, R.O.; Kirkpatrick, J.

    2004-01-01

    We compared three fecal steroid metabolite assays for their usefulness in detecting pregnancy among free-ranging Rocky Mountain bighorn sheep (Ovis canadensis canadensis) from Bighorn Canyon National Recreation Area, Wyoming and Montana (USA) and captive bighorn ewes at ZooMontana in Billings, Montana. Fecal samples were collected from 11 free-ranging, radio-collared bighorn ewes in late January–May 2001 and from 20 free-ranging, radio-collared ewes in late March to mid-May 2002. Free-ranging ewes were monitored the following spring to determine whether or not they lambed. In addition, two captive ewes were studied at Zoo-Montana. With three exceptions, free-ranging bighorn ewes that produced lambs had nonspecific progesterone metabolite (iPdG) levels of >1,800 ng/g feces and iPdG levels >7,000 ng/gm feces when samples were collected between early March and mid-May Samples collected earlier in the year were inconclusive. One false negative was suspected to be the result of sample collection error. Of the captive ewes, nonspecific pregnanediol-3α–glucuronide (PdG) and iPdG followed a predictable curve over the course of the 180-day pregnancies. We conclude that estrone conjugates are not useful in diagnosing pregnancy; however, fecal steroid analysis of PdG and iPdG can be used to accurately determine pregnancy and reproductive function in bighorn sheep. This holds great potential as a noninvasive technique for understanding the role of reproductive disease in wild bighorn sheep.

  4. Effect of Food on the Single-dose Pharmacokinetics and Tolerability of Subutinib and its Active Metabolite in Chinese Healthy Volunteers.

    Science.gov (United States)

    Ding, L-K; Jia, N; Yang, L; Li, J-K; Song, W; Wang, M-H; Wang, C; Gao, X-H; Wen, A-D

    2016-03-01

    The aim of this study is to investigate a food effect on the single-dose pharmacokinetics and tolerability of subutinib maleate capsules in healthy Chinese volunteers. The author evaluated the effect of being under a fasting or fed state at the time of drug intake on the single-dose of subutinib maleate capsules in a randomized, balanced, single-dose, 2-treatment (fasting and fed), 2-period design with a 3-week washout period. The end points were the maximum plasma drug concentration (Cmax) and areas under the plasma-concentration curve (AUC) for 336 h exposure (AUC0-336) and total exposure (AUC0-∞). All volunteers completed the whole study without side effects being observed. For subutinib, Cmax were 6.13 and 5.04 ng·mL(-1), and AUC0-336 were 278.4 and 304.5 h·ng·mL(-1) in the fasting and the fed state, respectively. For active metabolite, Cmax were 0.90 and 0.61 ng·mL(-1), and AUC0-336 were 65.5 and 56.4 h·ng·mL(-1) in the fasting and the fed state, respectively. The authors showed that food intake was associated with a slight increase in AUC values but decrease in Cmax of subutinib, and it was associated with a decrease both in AUC and Cmax of active metabolite. © Georg Thieme Verlag KG Stuttgart · New York.

  5. Investigation of electrically-active deep levels in single-crystalline diamond by particle-induced charge transient spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kada, W., E-mail: kada.wataru@gunma-u.ac.jp [Faculty of Science and Technology, Gunma University, Kiryu, Gunma 376-8515 (Japan); Kambayashi, Y.; Ando, Y. [Faculty of Science and Technology, Gunma University, Kiryu, Gunma 376-8515 (Japan); Japan Atomic Energy Agency, Takasaki, Gunma 370-1292 (Japan); Onoda, S. [Japan Atomic Energy Agency, Takasaki, Gunma 370-1292 (Japan); Umezawa, H.; Mokuno, Y. [National Institute of Advanced Industrial Science and Technology (AIST), 1-8-31 Midorigaoka, Ikeda, Osaka 563-8577 (Japan); Shikata, S. [Kwansei Gakuin Univ., 2-1, Gakuen, Mita, Hyogo 669-1337 (Japan); Makino, T.; Koka, M. [Japan Atomic Energy Agency, Takasaki, Gunma 370-1292 (Japan); Hanaizumi, O. [Faculty of Science and Technology, Gunma University, Kiryu, Gunma 376-8515 (Japan); Kamiya, T.; Ohshima, T. [Japan Atomic Energy Agency, Takasaki, Gunma 370-1292 (Japan)

    2016-04-01

    To investigate electrically-active deep levels in high-resistivity single-crystalline diamond, particle-induced charge transient spectroscopy (QTS) techniques were performed using 5.5 MeV alpha particles and 9 MeV carbon focused microprobes. For unintentionally-doped (UID) chemical vapor deposition (CVD) diamond, deep levels with activation energies of 0.35 eV and 0.43 eV were detected which correspond to the activation energy of boron acceptors in diamond. The results suggested that alpha particle and heavy ion induced QTS techniques are the promising candidate for in-situ investigation of deep levels in high-resistivity semiconductors.

  6. Charge Dependence and Electric Quadrupole Effects on Single-Nucleon Removal in Relativistic and Intermediate Energy Nuclear Collisions

    Science.gov (United States)

    Norbury, John W.

    1992-01-01

    Single nucleon removal in relativistic and intermediate energy nucleus-nucleus collisions is studied using a generalization of Weizsacker-Williams theory that treats each electromagnetic multipole separately. Calculations are presented for electric dipole and quadrupole excitations and incorporate a realistic minimum impact parameter, Coulomb recoil corrections, and the uncertainties in the input photonuclear data. Discrepancies are discussed. The maximum quadrupole effect to be observed in future experiments is estimated and also an analysis of the charge dependence of the electromagnetic cross sections down to energies as low as 100 MeV/nucleon is made.

  7. Evaluation of single and joint toxic effects of diuron and its main metabolites on natural phototrophic biofilms using a pollution-induced community tolerance (PICT) approach.

    Science.gov (United States)

    Pesce, Stéphane; Lissalde, Sophie; Lavieille, Delphine; Margoum, Christelle; Mazzella, Nicolas; Roubeix, Vincent; Montuelle, Bernard

    2010-09-15

    This study assessed the single and joint acute toxicity of diuron and two of its metabolites (DCPMU and 3,4-DCA) on natural phototrophic biofilms using a PICT approach with photosynthesis bioassays. River biofilm communities were collected at three sampling stations exhibiting increasing concentrations of diuron, DCPMU and 3,4-DCA from upstream to downstream. Applied individually, the parent compound was more toxic than its metabolites, with DCPMU being more toxic than 3,4-DCA which only inhibited photosynthesis at very high concentrations (EC25 at about 5 mg/l). Sensitivity of biofilm communities to diuron and DCPMU decreased from upstream to downstream, revealing tolerance induction in contaminated sections of the river, as expected from the PICT concept. Nevertheless, PICT was not applicable for 3,4-DCA, which similarly affected upstream, intermediate and downstream biofilm communities. Chemical mixtures of diuron and DCPMU demonstrated additive effects whereas combinations with 3,4-DCA enhanced the observed effects. Our results reveal that the individual and combined presence of diuron and DCPMU in lotic ecosystems can have both short-term effects (as shown with bioassays) and long-term effects (as shown through the PICT approach) on phototrophic biofilms, whereas environmental concentrations of 3,4-DCA may not affect biofilm photosynthetic activity. 2010 Elsevier B.V. All rights reserved.

  8. Minimizing the energy spread within a single bunch by shaping its charge distribution

    International Nuclear Information System (INIS)

    Loew, G.A.; Wang, J.W.

    1985-03-01

    It has been known for some time that partial compensation of the longitudinal wake field effects can be obtained for any bunch by placing it ahead of the accelerating crest (in space), thereby letting the positive rising sinusoidal field offset the negative beam loading field. The work presented in this paper shows that it is possible to obtain complete compensation, i.e., to reduce the energy spread essentially to zero by properly shaping the longitudinal charge distribution of the bunch and by placing it at the correct position on the wave. 3 refs., 5 figs., 3 tabs

  9. Search for the Single Production of Doubly-Charged Higgs Bosons and Constraints on their Couplings from Bhabha Scattering

    CERN Document Server

    Abbiendi, G; Akesson, P.F.; Alexander, G.; Allison, John; Amaral, P.; Anagnostou, G.; Anderson, K.J.; Arcelli, S.; Asai, S.; Axen, D.; Azuelos, G.; Bailey, I.; Barberio, E.; Barlow, R.J.; Batley, R.J.; Bechtle, P.; Behnke, T.; Bell, Kenneth Watson; Bell, P.J.; Bella, G.; Bellerive, A.; Benelli, G.; Bethke, S.; Biebel, O.; Boeriu, O.; Bock, P.; Boutemeur, M.; Braibant, S.; Brigliadori, L.; Brown, Robert M.; Buesser, K.; Burckhart, H.J.; Campana, S.; Carnegie, R.K.; Caron, B.; Carter, A.A.; Carter, J.R.; Chang, C.Y.; Charlton, David G.; Csilling, A.; Cuffiani, M.; Dado, S.; De Roeck, A.; De Wolf, E.A.; Desch, K.; Dienes, B.; Donkers, M.; Dubbert, J.; Duchovni, E.; Duckeck, G.; Duerdoth, I.P.; Etzion, E.; Fabbri, F.; Feld, L.; Ferrari, P.; Fiedler, F.; Fleck, I.; Ford, M.; Frey, A.; Furtjes, A.; Gagnon, P.; Gary, John William; Gaycken, G.; Geich-Gimbel, C.; Giacomelli, G.; Giacomelli, P.; Giunta, Marina; Goldberg, J.; Groll, M.; Gross, E.; Grunhaus, J.; Gruwe, M.; Gunther, P.O.; Gupta, A.; Hajdu, C.; Hamann, M.; Hanson, G.G.; Harder, K.; Harel, A.; Harin-Dirac, M.; Hauschild, M.; Hawkes, C.M.; Hawkings, R.; Hemingway, R.J.; Hensel, C.; Herten, G.; Heuer, R.D.; Hill, J.C.; Hoffman, Kara Dion; Horvath, D.; Igo-Kemenes, P.; Ishii, K.; Jeremie, H.; Jovanovic, P.; Junk, T.R.; Kanaya, N.; Kanzaki, J.; Karapetian, G.; Karlen, D.; Kawagoe, K.; Kawamoto, T.; Keeler, R.K.; Kellogg, R.G.; Kennedy, B.W.; Kim, D.H.; Klein, K.; Klier, A.; Kluth, S.; Kobayashi, T.; Kobel, M.; Komamiya, S.; Kormos, Laura L.; Kramer, T.; Krieger, P.; von Krogh, J.; Kruger, K.; Kuhl, T.; Kupper, M.; Lafferty, G.D.; Landsman, H.; Lanske, D.; Layter, J.G.; Leins, A.; Lellouch, D.; Lettso, J.; Levinson, L.; Lillich, J.; Lloyd, S.L.; Loebinger, F.K.; Lu, J.; Ludwig, J.; Macpherson, A.; Mader, W.; Marcellini, S.; Martin, A.J.; Masetti, G.; Mashimo, T.; Mattig, Peter; McDonald, W.J.; McKenna, J.; McMahon, T.J.; McPherson, R.A.; Meijers, F.; Menges, W.; Merritt, F.S.; Mes, H.; Michelini, A.; Mihara, S.; Mikenberg, G.; Miller, D.J.; Moed, S.; Mohr, W.; Mori, T.; Mutter, A.; Nagai, K.; Nakamura, I.; Nanjo, H.; Neal, H.A.; Nisius, R.; O'Neale, S.W.; Oh, A.; Okpara, A.; Oreglia, M.J.; Orito, S.; Pahl, C.; Pasztor, G.; Pater, J.R.; Patrick, G.N.; Pilcher, J.E.; Pinfold, J.; Plane, David E.; Poli, B.; Polok, J.; Pooth, O.; Przybycien, M.; Quadt, A.; Rabbertz, K.; Rembser, C.; Renkel, P.; Roney, J.M.; Rosati, S.; Rozen, Y.; Runge, K.; Sachs, K.; Saeki, T.; Sarkisyan, E.K.G.; Schaile, A.D.; Schaile, O.; Scharff-Hansen, P.; Schieck, J.; Schoerner-Sadenius, Thomas; Schroder, Matthias; Schumacher, M.; Schwick, C.; Scott, W.G.; Seuster, R.; Shears, T.G.; Shen, B.C.; Sherwood, P.; Siroli, G.; Skuja, A.; Smith, A.M.; Sobie, R.; Soldner-Rembold, S.; Spano, F.; Stahl, A.; Stephens, K.; Strom, David M.; Strohmer, R.; Tarem, S.; Tasevsky, M.; Taylor, R.J.; Teuscher, R.; Thomson, M.A.; Torrence, E.; Toya, D.; Tran, P.; Trigger, I.; Trocsanyi, Z.; Tsur, E.; Turner-Watson, M.F.; Ueda, I.; Ujvari, B.; Vollmer, C.F.; Vannerem, P.; Vertesi, R.; Verzocchi, M.; Voss, H.; Vossebeld, J.; Waller, D.; Ward, C.P.; Ward, D.R.; Watkins, P.M.; Watson, A.T.; Watson, N.K.; Wells, P.S.; Wengler, T.; Wermes, N.; Wetterling, G.W.; Wilson, D.; Wilson, J.A.; Wolf, G.; Wyatt, T.R.; Yamashita, S.; Zer-Zion, D.; Zivkovic, Lidija

    2003-01-01

    A search for single production of doubly-charged Higgs bosons has been performed using 600.7 pb^-1 of e+e- collision data with sqrt(s)=189--209GeV collected by the OPAL detector at LEP. No evidence for the existence of H++/-- is observed. Upper limits on the Yukawa coupling of the H++/-- to like-signed electron pairs are derived. Additionally, indirect constraints on the Yukawa coupling from Bhabha scattering, where the H++/-- would contribute via t-channel exchange, are derived for M(H++/--) < 2TeV. These are the first results for both a single production search and constraints from Bhabha scattering reported from LEP.

  10. Probing single-charge fluctuations at a GaAs/AlAs interface using laser spectroscopy on a nearby InGaAs quantum dot.

    Science.gov (United States)

    Houel, J; Kuhlmann, A V; Greuter, L; Xue, F; Poggio, M; Gerardot, B D; Dalgarno, P A; Badolato, A; Petroff, P M; Ludwig, A; Reuter, D; Wieck, A D; Warburton, R J

    2012-03-09

    We probe local charge fluctuations in a semiconductor via laser spectroscopy on a nearby self-assembled quantum dot. We demonstrate that the quantum dot is sensitive to changes in the local environment at the single-charge level. By controlling the charge state of localized defects, we are able to infer the distance of the defects from the quantum dot with ±5  nm resolution. The results identify and quantify the main source of charge noise in the commonly used optical field-effect devices.

  11. Estimation of the spatial distribution of traps using space-charge-limited current measurements in an organic single crystal

    KAUST Repository

    Dacuña, Javier

    2012-09-06

    We used a mobility edge transport model and solved the drift-diffusion equation to characterize the space-charge-limited current of a rubrene single-crystal hole-only diode. The current-voltage characteristics suggest that current is injection-limited at high voltage when holes are injected from the bottom contact (reverse bias). In contrast, the low-voltage regime shows that the current is higher when holes are injected from the bottom contact as compared to hole injection from the top contact (forward bias), which does not exhibit injection-limited current in the measured voltage range. This behavior is attributed to an asymmetric distribution of trap states in the semiconductor, specifically, a distribution of traps located near the top contact. Accounting for a localized trap distribution near the contact allows us to reproduce the temperature-dependent current-voltage characteristics in forward and reverse bias simultaneously, i.e., with a single set of model parameters. We estimated that the local trap distribution contains 1.19×1011 cm -2 states and decays as exp(-x/32.3nm) away from the semiconductor-contact interface. The local trap distribution near one contact mainly affects injection from the same contact, hence breaking the symmetry in the charge transport. The model also provides information of the band mobility, energy barrier at the contacts, and bulk trap distribution with their corresponding confidence intervals. © 2012 American Physical Society.

  12. Negative Ion MALDI Mass Spectrometry of Polyoxometalates (POMs): Mechanism of Singly Charged Anion Formation and Chemical Properties Evaluation

    Science.gov (United States)

    Boulicault, Jean E.; Alves, Sandra; Cole, Richard B.

    2016-08-01

    MALDI-MS has been developed for the negative ion mode analysis of polyoxometalates (POMs). Matrix optimization was performed using a variety of matrix compounds. A first group of matrixes offers MALDI mass spectra containing abundant intact singly charged anionic adduct ions, as well as abundant in-source fragmentations at elevated laser powers. A relative ranking of the ability to induce POM fragmentation is found to be: DAN > CHCA > CNA > DIT> HABA > DCTB > IAA. Matrixes of a second group provide poorer quality MALDI mass spectra without observable fragments. Sample preparation, including the testing of salt additives, was performed to optimize signals for a model POM, POMc12, the core structure of which bears four negative charges. The matrix 9-cyanoanthracene (CNA) provided the best signals corresponding to singly charged intact POMc12 anions. Decompositions of these intact anionic species were examined in detail, and it was concluded that hydrogen radical-induced mechanisms were not prevalent, but rather that the observed prompt fragments originate from transferred energy derived from initial electronic excitation of the CNA matrix. Moreover, in obtained MALDI mass spectra, clear evidence of electron transfer to analyte POM species was found: a manifestation of the POMs ability to readily capture electrons. The affinity of polyanionic POMc12 toward a variety of cations was evaluated and the following affinity ranking was established: Fe3+ > Al3+ > Li+ > Ga3+ > Co2+ > Cr3+ > Cu2+ > [Mn2+, Mg2+] > [Na+, K+]. Thus, from the available cationic species, specific adducts are preferentially formed, and evidence is given that these higher affinity POM complexes are formed in the gas phase during the early stages of plume expansion.

  13. Metabolite and light regulation of metabolism in plants: lessons from the study of a single biochemical pathway

    Directory of Open Access Journals (Sweden)

    I.C. Oliveira

    2001-05-01

    Full Text Available We are using molecular, biochemical, and genetic approaches to study the structural and regulatory genes controlling the assimilation of inorganic nitrogen into the amino acids glutamine, glutamate, aspartate and asparagine. These amino acids serve as the principal nitrogen-transport amino acids in most crop and higher plants including Arabidopsis thaliana. We have begun to investigate the regulatory mechanisms controlling nitrogen assimilation into these amino acids in plants using molecular and genetic approaches in Arabidopsis. The synthesis of the amide amino acids glutamine and asparagine is subject to tight regulation in response to environmental factors such as light and to metabolic factors such as sucrose and amino acids. For instance, light induces the expression of glutamine synthetase (GLN2 and represses expression of asparagine synthetase (ASN1 genes. This reciprocal regulation of GLN2 and ASN1 genes by light is reflected at the level of transcription and at the level of glutamine and asparagine biosynthesis. Moreover, we have shown that the regulation of these genes is also reciprocally controlled by both organic nitrogen and carbon metabolites. We have recently used a reverse genetic approach to study putative components of such metabolic sensing mechanisms in plants that may be conserved in evolution. These components include an Arabidopsis homolog for a glutamate receptor gene originally found in animal systems and a plant PII gene, which is a homolog of a component of the bacterial Ntr system. Based on our observations on the biology of both structural and regulatory genes of the nitrogen assimilatory pathway, we have developed a model for metabolic control of the genes involved in the nitrogen assimilatory pathway in plants.

  14. Single- and Multiple-Day Dosing Studies to Investigate High-Dose Pharmacokinetics of Epelsiban and Its Metabolite, GSK2395448, in Healthy Female Volunteers.

    Science.gov (United States)

    Mahar, Kelly M; Enslin, Mary Beth; Gress, Angie; Amrine-Madsen, Heather; Cooper, Melisa

    2018-01-01

    Open-label single- and double-blind repeat-dose studies in healthy female volunteers were conducted to investigate the pharmacokinetics (PK) and safety/tolerability of epelsiban total daily doses ranging from 600 to 900 mg. In 1 study (n = 12), epelsiban was dosed at 300 or 450 mg twice daily (every 12 hours) for a single day. In the repeat-dose double-blind study, epelsiban and placebo were administered to 31 subjects as 200 mg 3 times daily, 300 mg 3 times daily (TID), or 450 mg twice daily (BID) for 14 days. After both single and 14 daily repeat doses, the PK profiles for epelsiban and its metabolite, GSK2395448, remained linear at all administered doses. The exposures at a given total daily dose were also similar between BID and TID dosing regimens. Exposure (AUC 0-τ ), based on dosing intervals, for both epelsiban and GSK2395448 was similar. However, compared with morning dosing, C max was lower after evening dosing, possibly because of a food effect. The highest accumulation of epelsiban and GSK2395448 exposures (AUC 0-τ ) was approximately 34% for each after repeat dosing, consistent with the short half-life. At total daily doses of 600 and 900 mg, epelsiban was generally well tolerated, and there were no significant safety concerns identified. © 2017, The American College of Clinical Pharmacology.

  15. Giant plasmon excitation in single and double ionization of C60 by fast highly charged Si and O ions

    Science.gov (United States)

    Kelkar, A. H.; Kadhane, U.; Misra, D.; Tribedi, L. C.

    2007-09-01

    Se have investigated single and double ionization of C60 molecule in collisions with 2.33 MeV/u Siq+ (q=6-14) and 3.125 MeV/u Oq+ (q=5-8) projectiles. The projectile charge state dependence of the single and double ionization yields of C60 are then compared to those for an ion-atom collision system using Ne gas as a target. A large difference between the gas and the cluster target behaviour was partially explained in terms of a model based on collective excitation namely the giant dipole plasmon resonance (GDPR). The qualitative agreement between the data and GDPR model prediction for single and double ionization signifies the importance of single and double plasmon excitations in the ionization process. A large deviation of the GDPR model for triple and quadruple ionization from the experimental data imply the importance of the other low impact parameter processes such as evaporation, fragmentation and a possible solid-like dynamical screening.

  16. Giant plasmon excitation in single and double ionization of C60 by fast highly charged Si and O ions

    International Nuclear Information System (INIS)

    Kelkar, A H; Kadhane, U; Misra, D; Tribedi, L C

    2007-01-01

    Se have investigated single and double ionization of C 60 molecule in collisions with 2.33 MeV/u Si q+ (q=6-14) and 3.125 MeV/u O q+ (q=5-8) projectiles. The projectile charge state dependence of the single and double ionization yields of C 60 are then compared to those for an ion-atom collision system using Ne gas as a target. A large difference between the gas and the cluster target behaviour was partially explained in terms of a model based on collective excitation namely the giant dipole plasmon resonance (GDPR). The qualitative agreement between the data and GDPR model prediction for single and double ionization signifies the importance of single and double plasmon excitations in the ionization process. A large deviation of the GDPR model for triple and quadruple ionization from the experimental data imply the importance of the other low impact parameter processes such as evaporation, fragmentation and a possible solid-like dynamical screening

  17. Charge-collection efficiency of single-crystal CVD diamond detector for low-energy charged particles with energies ranging from 100 keV to 2 MeV

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Yuki, E-mail: sato.yuki@jaea.go.jp [Collaborative Laboratories for Advanced Decommissioning Science (CLADS), Japan Atomic Energy Agency, 2–4 Shirane Shirakata, Tokai-mura, Naka-gun, Ibaraki 319-1195 (Japan); Murakami, Hiroyuki [RIKEN Nishina Center for Accelerator-Based Science, RIKEN, 2–1Hirosawa, Wako, Saitama 351-0198 (Japan); Shimaoka, Takehiro; Tsubota, Masakatsu; Kaneko, Junichi H. [Graduate School of Engineering, Hokkaido University, N13, W8, Kita-ku, Sapporo 060-8628 (Japan)

    2016-10-21

    The performance of a diamond detector created from a single-crystal diamond grown by chemical vapor deposition was studied for application in detecting charged particles having energies ranging from 100 keV to 2 MeV. Energy peaks of different low-energy ions were clearly observed. However, we observed that the pulse height for individual incident ions decreases with increasing atomic number of the ions. We estimated the charge collection efficiency of the generated charge carriers by the incident charged particles. The charge collection efficiencies are 97.0 ± 0.7% for 2 MeV helium-ions (He{sup +}). On the other hand, compared with that of He{sup +}, silicon-ions (Si{sup +}) and gold-ions (Au{sup 3+}) show low charge collection efficiency: 70.6 ± 2.2% and 29.5 ± 4.2% for 2 MeV-Si{sup +} and 2 MeV-Au{sup 3+}, respectively. We also found that the charge collection efficiency decreases as the generated charge density inside the diamond crystal increases.

  18. Long-range charge transport in single G-quadruplex DNA molecules

    DEFF Research Database (Denmark)

    Livshits, Gideon I.; Stern, Avigail; Rotem, Dvir

    2014-01-01

    DNA and DNA-based polymers are of interest in molecular electronics because of their versatile and programmable structures. However, transport measurements have produced a range of seemingly contradictory results due to differences in the measured molecules and experimental set-ups, and transport......DNA and DNA-based polymers are of interest in molecular electronics because of their versatile and programmable structures. However, transport measurements have produced a range of seemingly contradictory results due to differences in the measured molecules and experimental set......-ups, and transporting significant current through individual DNA-based molecules remains a considerable challenge. Here, we report reproducible charge transport in guanine-quadruplex (G4) DNA molecules adsorbed on a mica substrate. Currents ranging from tens of picoamperes to more than 100 pA were measured in the G4......-DNA over distances ranging from tens of nanometres to more than 100 nm. Our experimental results, combined with theoretical modelling, suggest that transport occurs via a thermally activated long-range hopping between multi-tetrad segments of DNA. These results could re-ignite interest in DNA...

  19. A fast, low power and low noise charge sensitive amplifier ASIC for a UV imaging single photon detector

    Science.gov (United States)

    Seljak, A.; Cumming, H. S.; Varner, G.; Vallerga, J.; Raffanti, R.; Virta, V.

    2017-04-01

    NASA has funded, through their Strategic Astrophysics Technology (SAT) program, the development of a cross strip (XS) microchannel plate (MCP) detector with the intention to increase its technology readiness level (TRL), enabling prototyping for future NASA missions. One aspect of the development is to convert the large and high powered laboratory Parallel Cross Strip (PXS) readout electronics into application specific integrated circuits (ASICs) to decrease their mass, volume, and power consumption (all limited resources in space) and to make them more robust to the environments of rocket launch and space. The redesign also foresees to increase the overall readout event rate, and decrease the noise contribution of the readout system. This work presents the design and verification of the first stage for the new readout system, the 16 channel charge sensitive amplifier ASIC, called the CSAv3. The single channel amplifier is composed of a charge sensitive amplifier (pre-amplifier), a pole zero cancellation circuit and a shaping amplifier. An additional output stage buffer allows polarity selection of the output analog signal. The operation of the amplifier is programmable via serial bus. It provides an equivalent noise charge (ENC) of around 600 e^- and a baseline gain of 10 mV/fC. The full scale pulse shaped output signal is confined within 100 ns, without long recovery tails, enabling up to 10 MHz periodic event rates without signal pile up. This ASIC was designed and fabricated in 130 nm, TSMC CMOS 1.2 V technology. In addition, we briefly discuss the construction of the readout system and plans for the future work.

  20. Serum and Urine Concentrations of Flunitrazepam and Metabolites, after a Single Oral Dose, by Immunoassay and GC-MS

    OpenAIRE

    Snyder, H.; Schwenzer, K.S.; Pearlman, R.; McNally, A.J.; Tsilimidos, M.; Salamone, S.J.; Brenneisen, R.; ElSohly, M.A.; Feng, S.; Brenneisen, R.

    2017-01-01

    A clinical study was conducted to assess the ability of commercially available immunoassays to detect flunitrazepam (FNP) in plasma and urine samples and to compare the results with those obtained by gas chromatography-mass spectrometry (GC-MS). The clinical study consisted of four individuals (two male and two female) who had taken a single 2-mg dose of FNP. Serum was collected over a 48-h period and urine was collected over a 72-h period. The serum and urine samples were analyzed by the COB...

  1. Charge transferred doping of single layer graphene by mono-dispersed manganese-oxide nanoparticles adsorption

    Science.gov (United States)

    Phan, Thanh Luan; Kang, Myunggoo; Choi, Soo Ho; Kim, You Joong; Jung, Hyun; Yoon, Im Taek; Yang, Woochul

    2017-10-01

    We report an efficient and controllable method to introduce p-type doping in graphene by decoration with Mn3O4 nanoparticles (NPs) on mechanically exfoliated single layer graphene. A monolayer of Mn3O4 NPs, with a diameter in the range of 5-10 nm, was decorated on a graphene film using an ex-situ method, whereas by controlling the coverage of the NPs on the graphene surface, the carrier concentration could be continually adjusted. The p-type of the NP-decorated single layer graphene was confirmed by the Raman G-band. It was found that the carrier concentration could be gradually adjusted up to 26.09 × 1012 cm-2, with 90% coverage of Mn3O4 NPs. The Dirac point of the pristine graphene at the gate bias of 27 V shifted to 150 V for Mn3O4 NP decorated graphene. The p-type graphene doped with Mn3O4 NPs demonstrated significant high air-stability, even under an oxygen atmosphere for 60 days. This approach allows for the opportunity for simple, scalable, and highly stable doping of graphene for future high-performance electronic device applications.

  2. Non-Covalent Interactions and Impact of Charge Penetration Effects in Linear Oligoacene Dimers and Single Crystals

    KAUST Repository

    Ryno, Sean

    2016-05-18

    Non-covalent interactions determine in large part the thermodynamic aspects of molecular packing in organic crystals. Using a combination of symmetry-adapted perturbation theory (SAPT) and classical multipole electrostatics, we describe the interaction potential energy surfaces for dimers of the oligoacene family, from benzene to hexacene. An analysis of these surfaces and a thorough assessment of dimers extracted from the reported crystal structures underline that high-order interactions (i.e., three-body non-additive interactions) must be considered in order to rationalize the details of the crystal structures. A comparison of the SAPT electrostatic energy with the multipole interaction energy demonstrates the importance of the contribution of charge penetration, which is shown to account for up to 50% of the total interaction energy in dimers extracted from the experimental single crystals; in the case of the most stable co-facial model dimers, this contribution is even larger than the total interaction energy. Our results highlight the importance of taking account of charge penetration in studies of the larger oligoacenes.

  3. Longitudinal transport coefficients of a magnetized plasma consisting of hydrogen and a single impurity element in arbitrarily populated charge states

    International Nuclear Information System (INIS)

    Claassen, H.A.; Gerhauser, H.; El-Sharif, R.N.

    1991-01-01

    The coefficients determining the transport processes along the magnetic field in a magnetized plasma consisting of electrons, protons/deuterons and impurity ions in various charge states have been calculated on the basis of Grad's 21 moment approximation. Assuming a single impurity element, the determinants appearing in the transport coefficients are evaluated analytically for arbitrary ratios m z /m + between the impurity and hydrogen masses. The general formulae are then simplified for the important case m z /m + ≥ 1 and compared with existing data given by V.M. Zhdanov et al. and Yu.L. Igitkhanov et al. Whereas with minor modifications the proton/deuteron and electron coefficients agree well, there are remarkable differences in the impurity ion transport coefficients, which are discussed. (orig.)

  4. Probing single- to multi-cell level charge transport in Geobacter sulfurreducens DL-1.

    Science.gov (United States)

    Jiang, Xiaocheng; Hu, Jinsong; Petersen, Emily R; Fitzgerald, Lisa A; Jackan, Charles S; Lieber, Alexander M; Ringeisen, Bradley R; Lieber, Charles M; Biffinger, Justin C

    2013-01-01

    Microbial fuel cells, in which living microorganisms convert chemical energy into electricity, represent a potentially sustainable energy technology for the future. Here we report the single-bacterium level current measurements of Geobacter sulfurreducens DL-1 to elucidate the fundamental limits and factors determining maximum power output from a microbial fuel cell. Quantized stepwise current outputs of 92(±33) and 196(±20) fA are generated from microelectrode arrays confined in isolated wells. Simultaneous cell imaging/tracking and current recording reveals that the current steps are directly correlated with the contact of one or two cells with the electrodes. This work establishes the amount of current generated by an individual Geobacter cell in the absence of a biofilm and highlights the potential upper limit of microbial fuel cell performance for Geobacter in thin biofilms.

  5. The Charging Process in a High-speed, Single-cylinder, Four-stroke Engine

    Science.gov (United States)

    Reynolds, Blake; Schecter, Harry; Taylor, E S

    1939-01-01

    Experimental measurements and theoretical calculations were made on an aircraft-type, single cylinder engine, in order to determine the physical nature of the inlet process, especially at high piston speeds. The engine was run at speeds from 1,500 to 2,600 r.p.m. (mean piston speeds of 1,370 to 2,380 feet per minute). Measurements were made of the cylinder pressure during the inlet stroke and of the power output and volumetric efficiency. Measurements were also made, with the engine not running, to determine the resistance and mass of air in the inlet valve port at various crank angles. Results of analysis indicate that mass has an appreciable effect, but friction plays the major part in restricting flow. The observed fact that the volumetric efficiency is considerably less than 100 percent is attributed to thermal effects. An estimate was made of the magnitude of these effects in the present case, and their general nature is discussed.

  6. Study of CP-violating charge asymmetries of single muons and like-sign dimuons in p pbar collisions

    Czech Academy of Sciences Publication Activity Database

    Abazov, V. M.; Abbott, B.; Acharya, B.S.; Kupčo, Alexander; Lokajíček, Miloš

    2014-01-01

    Roč. 89, č. 1 (2014), "012002-1"-"012002-31" ISSN 1550-7998 R&D Projects: GA MŠk(CZ) LG12006 Institutional support: RVO:68378271 Keywords : D0 * Fermilab * charge asymmetry * CP violation * same sign * charge: asymmetry * dimuon * charge * muon * charge * meson * mixing * width difference Subject RIV: BF - Elementary Particles and High Energy Physics Impact factor: 4.643, year: 2014

  7. Exclusion of exotic top-like quarks with -4/3 electric charge using jet-charge tagging in single-lepton ttbar events at CDF

    CERN Document Server

    Aaltonen, T.; Amidei, D.; Anastassov, A.; Annovi, A.; Antos, J.; Apollinari, G.; Appel, J.A.; Arisawa, T.; Artikov, A.; Asaadi, J.; Ashmanskas, W.; Auerbach, B.; Aurisano, A.; Azfar, F.; Badgett, W.; Bae, T.; Barbaro-Galtieri, A.; Barnes, V.E.; Barnett, B.A.; Barria, P.; Bartos, P.; Bauce, M.; Bedeschi, F.; Behari, S.; Bellettini, G.; Bellinger, J.; Benjamin, D.; Beretvas, A.; Bhatti, A.; Bland, K.R.; Blumenfeld, B.; Bocci, A.; Bodek, A.; Boisvert, V.; Bortoletto, D.; Boudreau, J.; Boveia, A.; Brigliadori, L.; Bromberg, C.; Brucken, E.; Budagov, J.; Budd, H.S.; Burkett, K.; Busetto, G.; Bussey, P.; Butti, P.; Buzatu, A.; Calamba, A.; Camarda, S.; Campanelli, M.; Canelli, F.; Carls, B.; Carlsmith, D.; Carosi, R.; Carrillo, S.; Casal, B.; Casarsa, M.; Castro, A.; Catastini, P.; Cauz, D.; Cavaliere, V.; Cavalli-Sforza, M.; Cerri, A.; Cerrito, L.; Chen, Y.C.; Chertok, M.; Chiarelli, G.; Chlachidze, G.; Cho, K.; Chokheli, D.; Ciocci, M.A.; Clark, A.; Clarke, C.; Convery, M.E.; Conway, J.; Corbo, M.; Cordelli, M.; Cox, C.A.; Cox, D.J.; Cremonesi, M.; Cruz, D.; Cuevas, J.; Culbertson, R.; d'Ascenzo, N.; Datta, M.; de Barbaro, P.; Demortier, L.; Deninno, M.; d'Errico, M.; Devoto, F.; Di Canto, A.; Di Ruzza, B.; Dittmann, J.R.; D'Onofrio, M.; Donati, S.; Dorigo, M.; Driutti, A.; Ebina, K.; Edgar, R.; Elagin, A.; Erbacher, R.; Errede, S.; Esham, B.; Eusebi, R.; Farrington, S.; Fernandez Ramos, J.P.; Field, R.; Flanagan, G.; Forrest, R.; Franklin, M.; Freeman, J.C.; Frisch, H.; Funakoshi, Y.; Garfinkel, A.F.; Garosi, P.; Gerberich, H.; Gerchtein, E.; Giagu, S.; Giakoumopoulou, V.; Gibson, K.; Ginsburg, C.M.; Giokaris, N.; Giromini, P.; Giurgiu, G.; Glagolev, V.; Glenzinski, D.; Gold, M.; Goldin, D.; Golossanov, A.; Gomez, G.; Gomez-Ceballos, G.; Goncharov, M.; Gonzalez Lopez, O.; Gorelov, I.; Goshaw, A.T.; Goulianos, K.; Gramellini, E.; Grinstein, S.; Grosso-Pilcher, C.; Group, R.C.; Guimaraes da Costa, J.; Hahn, S.R.; Han, J.Y.; Happacher, F.; Hara, K.; Hare, M.; Harr, R.F.; Harrington-Taber, T.; Hatakeyama, K.; Hays, C.; Heinrich, J.; Herndon, M.; Hocker, A.; Hong, Z.; Hopkins, W.; Hou, S.; Hughes, R.E.; Husemann, U.; Hussein, M.; Huston, J.; Introzzi, G.; Iori, M.; Ivanov, A.; James, E.; Jang, D.; Jayatilaka, B.; Jeon, E.J.; Jindariani, S.; Jones, M.; Joo, K.K.; Jun, S.Y.; Junk, T.R.; Kambeitz, M.; Kamon, T.; Karchin, P.E.; Kasmi, A.; Kato, Y.; Ketchum, W.; Keung, J.; Kilminster, B.; Kim, D.H.; Kim, H.S.; Kim, J.E.; Kim, M.J.; Kim, S.B.; Kim, S.H.; Kim, Y.J.; Kim, Y.K.; Kimura, N.; Kirby, M.; Knoepfel, K.; Kondo, K.; Kong, D.J.; Konigsberg, J.; Kotwal, A.V.; Kreps, M.; Kroll, J.; Kruse, M.; Kuhr, T.; Kurata, M.; Laasanen, A.T.; Lammel, S.; Lancaster, M.; Lannon, K.; Latino, G.; Lee, H.S.; Lee, J.S.; Leo, S.; Leone, S.; Lewis, J.D.; Limosani, A.; Lipeles, E.; Lister, A.; Liu, H.; Liu, Q.; Liu, T.; Lockwitz, S.; Loginov, A.; Luca, A.; Lucchesi, D.; Lueck, J.; Lujan, P.; Lukens, P.; Lungu, G.; Lys, J.; Lysak, R.; Madrak, R.; Maestro, P.; Malik, S.; Manca, G.; Manousakis-Katsikakis, A.; Margaroli, F.; Marino, P.; Martinez, M.; Matera, K.; Mattson, M.E.; Mazzacane, A.; Mazzanti, P.; McFarland, K.S.; McNulty, R.; Mehta, A.; Mehtala, P.; Mesropian, C.; Miao, T.; Mietlicki, D.; Mitra, A.; Miyake, H.; Moed, S.; Moggi, N.; Moon, C.S.; Moore, R.; Morello, M.J.; Mukherjee, A.; Muller, Th.; Murat, P.; Mussini, M.; Nachtman, J.; Nagai, Y.; Naganoma, J.; Nakano, I.; Napier, A.; Nett, J.; Neu, C.; Nigmanov, T.; Nodulman, L.; Noh, S.Y.; Norniella, O.; Oakes, L.; Oh, S.H.; Oh, Y.D.; Oksuzian, I.; Okusawa, T.; Orava, R.; Ortolan, L.; Pagliarone, C.; Palencia, E.; Palni, P.; Papadimitriou, V.; Parker, W.; Pauletta, G.; Paulini, M.; Paus, C.; Phillips, T.J.; Piacentino, G.; Pianori, E.; Pilot, J.; Pitts, K.; Plager, C.; Pondrom, L.; Poprocki, S.; Potamianos, K.; Pranko, A.; Prokoshin, F.; Ptohos, F.; Punzi, G.; Ranjan, N.; Redondo Fernandez, I.; Renton, P.; Rescigno, M.; Rimondi, F.; Ristori, L.; Robson, A.; Rodriguez, T.; Rolli, S.; Ronzani, M.; Roser, R.; Rosner, J.L.; Ruffini, F.; Ruiz, A.; Russ, J.; Rusu, V.; Sakumoto, W.K.; Sakurai, Y.; Santi, L.; Sato, K.; Saveliev, V.; Savoy-Navarro, A.; Schlabach, P.; Schmidt, E.E.; Schwarz, T.; Scodellaro, L.; Scuri, F.; Seidel, S.; Seiya, Y.; Semenov, A.; Sforza, F.; Shalhout, S.Z.; Shears, T.; Shepard, P.F.; Shimojima, M.; Shochet, M.; Shreyber-Tecker, I.; Simonenko, A.; Sinervo, P.; Sliwa, K.; Smith, J.R.; Snider, F.D.; Song, H.; Sorin, V.; Stancari, M.; St. Denis, R.; Stelzer, B.; Stelzer-Chilton, O.; Stentz, D.; Strologas, J.; Sudo, Y.; Sukhanov, A.; Suslov, I.; Takemasa, K.; Takeuchi, Y.; Tang, J.; Tecchio, M.; Teng, P.K.; Thom, J.; Thomson, E.; Thukral, V.; Toback, D.; Tokar, S.; Tollefson, K.; Tomura, T.; Tonelli, D.; Torre, S.; Torretta, D.; Totaro, P.; Trovato, M.; Ukegawa, F.; Uozumi, S.; Vazquez, F.; Velev, G.; Vellidis, C.; Vernieri, C.; Vidal, M.; Vilar, R.; Vizan, J.; Vogel, M.; Volpi, G.; Wagner, P.; Wallny, R.; Wang, S.M.; Warburton, A.; Waters, D.; Wester, W.C., III; Whiteson, D.; Wicklund, A.B.; Wilbur, S.; Williams, H.H.; Wilson, J.S.; Wilson, P.; Winer, B.L.; Wittich, P.; Wolbers, S.; Wolfe, H.; Wright, T.; Wu, X.; Wu, Z.; Yamamoto, K.; Yamato, D.; Yang, T.; Yang, U.K.; Yang, Y.C.; Yao, W.M.; Yeh, G.P.; Yi, K.; Yoh, J.; Yorita, K.; Yoshida, T.; Yu, G.B.; Yu, I.; Zanetti, A.M.; Zeng, Y.; Zhou, C.; Zucchelli, S.

    2013-08-05

    We report on a measurement of the top-quark electric charge in ttbar events in which one W boson originating from the top-quark pair decays into leptons and the other into hadrons. The event sample was collected by the CDF II detector in sqrt(s)=1.96 TeV proton-antiproton collisions and corresponds to 5.6 fb^(-1). We find the data to be consistent with the standard model and exclude the existence of an exotic quark with -4/3 electric charge and mass of the conventional top quark at the 99% confidence level.

  8. Morphine metabolites

    DEFF Research Database (Denmark)

    Christrup, Lona Louring

    1997-01-01

    , morphine-3-glucuronide (M3G) and morphine-6-glucuronide (M6G) are the major metabolites of morphine. The metabolism of morphine occurs not only in the liver, but may also take place in the brain and the kidneys. The glucuronides are mainly eliminated via bile and urine. Glucuronides as a rule...... are considered as highly polar metabolites unable to cross the blood-brain barrier. Although morphine glucuronidation has been demonstrated in human brain tissue, the capacity is very low compared to that of the liver, indicating that the M3G and M6G concentrations observed in the cerebrospinal fluid (CSF) after...

  9. Study of the Bulk Charge Carrier Dynamics in Anatase and Rutile TiO2 Single Crystals by Femtosecond Time Resolved Spectroscopy

    KAUST Repository

    Maity, Partha

    2018-04-02

    Understanding of the fundamentals behind charge carriers of photo-catalytic materials are still illusive hindering progress in our quest for renewable energy. TiO2 anatase and rutile are the most understood phases in photo-catalysis and serve as the best model for fundamental studies. Their ultrafast charge carrier dynamics especially on TiO2 anatase single crystal (the most active phase) are unresolved. Here femtosecond time resolved spectroscopy (TRS) was carried out to explore the dynamics of photo-excited charge carriers’ recombination in anatase single crystal, for the first time using pump fluence effects, and compares it to that of the rutile single crystal. A significant difference in charge carrier recombination rates between both crystals is observed. We found that the time constants for carrier recombination are two orders of magnitude slower for anatase (101) when compared to those of rutile (110). Moreover, bulk defects introduced by reduction of the samples via annealing in ultra-high vacuum resulted in faster recombination rates for both polymorphs. Both states (fresh and reduced) probed by pump fluence dependence measurements revealed that the major recombination channel in fresh and reduced anatase and reduced rutile is the first-order Shockley–Reed mediated. However, for fresh rutile, third-body Auger recombination was observed, attributed to the presence of higher density of intrinsic charge carriers. At all excitation wavelengths and fluence investigated, anatase (101) single crystal show longer charge carrier lifetime when compared to rutile (110) single. This may explain the superiority of the anatase phase for the electron transfer H+ reduction to molecular hydrogen.

  10. Effect of multiple plasmon excitation on single, double and multiple ionizations of C60 in collisions with fast highly charged Si ions

    International Nuclear Information System (INIS)

    Kelkar, A H; Kadhane, U; Misra, D; Kumar, A; Tribedi, L C

    2007-01-01

    We have investigated the single and multiple ionizations of the C 60 molecule in collisions with fast Si q+ projectiles for various projectile charge states (q) between q = 6 and 14. The q-dependence of the ionization cross sections and their ratios is compared with the giant dipole plasmon resonance (GDPR) model. The excellent qualitative agreement with the model in case of single and double ionizations and also a reasonable agreement with the triple (and to some extent with quadruple) ionization (without evaporation) yields signify dominant contributions of the single-, double- and triple-plasmon excitations on the single- and multiple-ionization process

  11. Effect of multiple plasmon excitation on single, double and multiple ionizations of C60 in collisions with fast highly charged Si ions

    Science.gov (United States)

    Kelkar, A. H.; Kadhane, U.; Misra, D.; Kumar, A.; Tribedi, L. C.

    2007-06-01

    We have investigated the single and multiple ionizations of the C60 molecule in collisions with fast Siq+ projectiles for various projectile charge states (q) between q = 6 and 14. The q-dependence of the ionization cross sections and their ratios is compared with the giant dipole plasmon resonance (GDPR) model. The excellent qualitative agreement with the model in case of single and double ionizations and also a reasonable agreement with the triple (and to some extent with quadruple) ionization (without evaporation) yields signify dominant contributions of the single-, double- and triple-plasmon excitations on the single- and multiple-ionization process.

  12. Effect of multiple plasmon excitation on single, double and multiple ionizations of C{sub 60} in collisions with fast highly charged Si ions

    Energy Technology Data Exchange (ETDEWEB)

    Kelkar, A H; Kadhane, U; Misra, D; Kumar, A; Tribedi, L C [Tata Institute of Fundamental Research, Colaba, Mumbai -5 (India)

    2007-06-28

    We have investigated the single and multiple ionizations of the C{sub 60} molecule in collisions with fast Si{sup q+} projectiles for various projectile charge states (q) between q = 6 and 14. The q-dependence of the ionization cross sections and their ratios is compared with the giant dipole plasmon resonance (GDPR) model. The excellent qualitative agreement with the model in case of single and double ionizations and also a reasonable agreement with the triple (and to some extent with quadruple) ionization (without evaporation) yields signify dominant contributions of the single-, double- and triple-plasmon excitations on the single- and multiple-ionization process.

  13. Measurement and Calculation of Absolute Single- and Multiple-Charge-Exchange Cross Sections for Feq+ Ions Impacting CO and CO2

    Energy Technology Data Exchange (ETDEWEB)

    Simcic, J. [Jet Propulsion Laboratory/Caltech; Schultz, David Robert [ORNL; Mawhorter, R. J. [Pomona College; Cadez, I. [Jozef Stefan Institute, Slovenia; Greenwood, J. B. [Queen' s University, Belfast; Chutjian, A. [Jet Propulsion Laboratory/Caltech; Lisse, Carey M. [Johns Hopkins University; Smith, S. J. [Indiana Wesleyan University, Marion

    2010-01-01

    Absolute cross sections are reported for single, double, and triple charge exchange of Feq+ (q=5- 13) ions with CO and CO2. The highly-charged Fe ions are generated in an electron cyclotron resonance ion source. Absolute data are derived from knowledge of the target gas pressure, target path length, and incident and charge-exchanged ion currents. Experimental results are compared with new calculations of these cross sections in the n-electron classical trajectory Monte-Carlo approximation, in which the ensuing radiative and non-radiative cascades are approximated with scaled hydrogenic transition probabilities and scaled Auger rates. The present data are needed in astrophysical applications of solar- and stellar-wind charge-exchange with comets, planetary atmospheres, and circumstellar clouds.

  14. Single and multiple ionization of C60 fullerenes and collective effects in collisions with highly charged C, F, and Si ions with energy 3 MeV/u

    Science.gov (United States)

    Kelkar, A. H.; Kadhane, U.; Misra, D.; Gulyas, L.; Tribedi, L. C.

    2010-10-01

    We have measured absolute cross sections for single, double, triple, and quadruple ionization of C60 in collisions with 3 MeV/u C, F, and Si projectile ions at various projectile charge states. The experiment was performed using the recoil-ion time-of-flight technique. Projectile charge state dependence of the ionization yields was compared mainly with a model based on the giant dipole plasmon resonance (GDPR). In some cases, the continuum-distorted-wave-eikonal-initial-state (CDW-EIS) model which is normally applied for ion-atom collisions was also used as a reference. An excellent qualitative agreement between the experimental data for single and double ionization and the GDPR model predictions was found for all projectile charge states.

  15. Single and multiple ionization of C60 fullerenes and collective effects in collisions with highly charged C, F, and Si ions with energy 3 MeV/u

    International Nuclear Information System (INIS)

    Kelkar, A. H.; Kadhane, U.; Misra, D.; Tribedi, L. C.; Gulyas, L.

    2010-01-01

    We have measured absolute cross sections for single, double, triple, and quadruple ionization of C 60 in collisions with 3 MeV/u C, F, and Si projectile ions at various projectile charge states. The experiment was performed using the recoil-ion time-of-flight technique. Projectile charge state dependence of the ionization yields was compared mainly with a model based on the giant dipole plasmon resonance (GDPR). In some cases, the continuum-distorted-wave-eikonal-initial-state (CDW-EIS) model which is normally applied for ion-atom collisions was also used as a reference. An excellent qualitative agreement between the experimental data for single and double ionization and the GDPR model predictions was found for all projectile charge states.

  16. Single-electron charging effects and implications for tunneling measurements of the high-T/sub c/ superconductors

    International Nuclear Information System (INIS)

    Barner, J.B.; Honkanen, M.J.; Ruggiero, S.T.; Mullen, K.; Ben-Jacob, E.; Pelton, A.R.; Michigan Univ., Ann Arbor, MI

    1989-01-01

    The authors present a theory for the dynamics of two voltage-biased, ultra-small-capacitance tunnel junctions connected in series when one or more electrodes are superconducting and experiments performed on parallel arrays of such junctions. Using the semiclassical model, they find that the I-V characteristics display steps and therefore multiple peaks in dI/dV, corresponding to the time-average occupation of the interjunction region by integral numbers of electrons. The voltage at which the first step is located depends on the superconducting gap, Δ(T), and the capacitances of the junctions. The spacing between subsequent steps depends solely on the capacitances. They discuss electron tunneling results performed on metal/Al/sub 2/O/sub 3//2-10 nm-diameter metal particles/Al/sub 2/O/sub 3//metal junctions where this multiple-peak structure is observed. They present preliminary tunneling results in junctions employing Pb-particles, where they observe a shift of the peaks when the sample is cooled below T/sub c/ of Pb consistent with theory. Taken together, these results indicate that the multiple-peak structure commonly observed in tunneling data of high-T/sub c/ oxide superconductors can be explained in terms of charging effects in a material with a single superconducting gap. Finally, they discuss possible applications in a new type of transistor element

  17. Charge transport and glassy dynamics of poly(ethylene oxide)-based single-ion conductors under geometrical confinement

    Science.gov (United States)

    Runt, James; Iacob, Ciprian

    2015-03-01

    Segmental and local dynamics as well as charge transport are investigated in a series of poly(ethylene oxide)-based single-ion conductors (ionomers) with varying counterions (Li +, Na +) confined in uni-directional nanoporous silica membranes. The dynamics are explored over a wide frequency and temperature range by broadband dielectric relaxation spectroscopy. Slowing of segmental dynamics and a decrease in dc conductivity (strongly coupled with segmental relaxation) of the confined ionomers are associated with surface effects - resulting from interfacial hydrogen bonding between the host nanoporous silica membrane and the guest ionomers. These effects are significantly reduced or eliminated upon pore surface modification through silanization. The primary transport properties for the confined ionomers decrease by about one decade compared to the bulk ionomer. A model assuming reduced mobility of an adsorbed layer at the pore wall/ionomer interface is shown to provide a quantitative explanation for the decrease in effective transport quantities in non-silanized porous silica membranes. Additionally, the effect of confinement on ion aggregation in ionomers by using X-ray scattering will also be discussed. Supported by the National Science Foundation, Polymers Program.

  18. Active and fast charge-state switching of single NV centres in diamond by in-plane Al-Schottky junctions

    Directory of Open Access Journals (Sweden)

    Christoph Schreyvogel

    2016-11-01

    Full Text Available In this paper, we demonstrate an active and fast control of the charge state and hence of the optical and electronic properties of single and near-surface nitrogen-vacancy centres (NV centres in diamond. This active manipulation is achieved by using a two-dimensional Schottky-diode structure from diamond, i.e., by using aluminium as Schottky contact on a hydrogen terminated diamond surface. By changing the applied potential on the Schottky contact, we are able to actively switch single NV centres between all three charge states NV+, NV0 and NV− on a timescale of 10 to 100 ns, corresponding to a switching frequency of 10–100 MHz. This switching frequency is much higher than the hyperfine interaction frequency between an electron spin (of NV− and a nuclear spin (of 15N or 13C for example of 2.66 kHz. This high-frequency charge state switching with a planar diode structure would open the door for many quantum optical applications such as a quantum computer with single NVs for quantum information processing as well as single 13C atoms for long-lifetime storage of quantum information. Furthermore, a control of spectral emission properties of single NVs as a single photon emitters – embedded in photonic structures for example – can be realized which would be vital for quantum communication and cryptography.

  19. Charge exchange, surface-induced dissociation and reactions of doubly charged molecular ions SF42+ upon impact on a stainless steel surface: A comparison with surface-induced dissociation of singly charged SF4+ molecular ions

    Czech Academy of Sciences Publication Activity Database

    Feketeová, L.; Grill, V.; Zappa, F.; Endstrasser, N.; Rasul, B.; Herman, Zdeněk; Scheier, P.; Märk, T. D.

    2008-01-01

    Roč. 276, č. 1 (2008), s. 37-42 ISSN 1387-3806 Institutional research plan: CEZ:AV0Z40400503 Keywords : doubly charged ion * surface-induced dissociations * surface-induced reaction * charge exchange Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.445, year: 2008

  20. Irradiation of zinc single crystal with 500 keV singly-charged carbon ions: surface morphology, structure, hardness, and chemical modifications

    Science.gov (United States)

    Waqas Khaliq, M.; Butt, M. Z.; Saleem, Murtaza

    2017-07-01

    Cylindrical specimens of (1 0 4) oriented zinc single crystal (diameter  =  6 mm and length  =  5 mm) were irradiated with 500 keV C+1 ions with the help of a Pelletron accelerator. Six specimens were irradiated in an ultra-high vacuum (~10‒8 Torr) with different ion doses, namely 3.94  ×  1014, 3.24  ×  1015, 5.33  ×  1015, 7.52  ×  1015, 1.06  ×  1016, and 1.30  ×  1016 ions cm-2. A field emission scanning electron microscope (FESEM) was utilized for the morphological study of the irradiated specimens. Formation of nano- and sub-micron size rods, clusters, flower- and fork-like structures, etc, was observed. Surface roughness of the irradiated specimens showed an increasing trend with the ions dose. Energy dispersive x-ray spectroscopy (EDX) helped to determine chemical modifications in the specimens. It was found that carbon content varied in the range 22.86-31.20 wt.% and that oxygen content was almost constant, with an average value of 10.16 wt.%. The balance content was zinc. Structural parameters, i.e. crystallite size and lattice strain, were determined by Williamson-Hall analysis using x-ray diffraction (XRD) patterns of the irradiated specimens. Both crystallite size and lattice strain showed a decreasing trend with the increasing ions dose. A good linear relationship between crystallite size and lattice strain was observed. Surface hardness depicted a decreasing trend with the ions dose and followed an inverse Hall-Petch relation. FTIR spectra of the specimens revealed that absorption bands gradually diminish as the dose of singly-charged carbon ions is increased from 3.94  ×  1014 ions cm-1 to 1.30  ×  1016 ions cm-1. This indicates progressive deterioration of chemical bonds with the increase in ion dose.

  1. Study of Charge-Dependent Transport and Toxicity of Peptide-Functionalized Silver Nanoparticles Using Zebrafish Embryos and Single Nanoparticle Plasmonic Spectroscopy

    Science.gov (United States)

    Lee, Kerry J.; Browning, Lauren M.; Nallathamby, Prakash D.; Xu, Xiao-Hong Nancy

    2013-01-01

    Nanomaterials possess unusually high surface area-to-volume ratios, and surface-determined physicochemical properties. It is essential to understand their surface-dependent toxicity in order to rationally design biocompatible nanomaterials for a wide variety of applications. In this study, we have functionalized the surfaces of silver nanoparticles (Ag NPs, 11.7 ± 2.7 nm in diameters) with three biocompatible peptides (CALNNK, CALNNS, CALNNE) to prepare positively (Ag-CALNNK NPs+ζ), negatively (Ag-CALNNS NPs−2ζ), and more negatively charged NPs (Ag-CALNNE NPs−4ζ), respectively. Each peptide differs in a single amino acid at its C-terminus, which minimizes the effects of peptide sequences and serves as a model molecule to create positive, neutral and negative charges on the surface of the NPs at pH 4–10. We have studied their charge-dependent transport into early-developing (cleavage-stage) zebrafish embryos and their effects on embryonic development using dark-field optical microscopy and spectroscopy (DFOMS). We found that all three Ag-peptide NPs passively diffused into the embryos via their chorionic pore canals, and stayed inside the embryos throughout their entire development (120 h), showing charge-independent diffusion modes and charge-dependent diffusion coefficients. Notably, the NPs create charge-dependent toxic effects on embryonic development, showing that the Ag-CALNNK NPs+ζ (positively charged) are the most biocompatible while the Ag-CALNNE NPs–4ζ (more negatively charged) are the most toxic. By comparing with our previous studies of the same sized citrated Ag and Au NPs, the Ag-peptide NPs are much more biocompatible than the citrated Ag NPs, and nearly as biocompatible as the Au NPs, showing the dependence of nanotoxicity upon the surface charges, surface functional groups and chemical compositions of the NPs. This study also demonstrates powerful applications of single NP plasmonic spectroscopy for quantitative analysis of single NPs

  2. ANISOTROPY EFFECTS IN SINGLE-ELECTRON TRANSFER BETWEEN LASER-EXCITED ATOMS AND HIGHLY-CHARGED IONS

    NARCIS (Netherlands)

    Recent collision experiments are reviewed in which one-electron transfer between laser excited target atoms and (highly charged) keV-ions has been studied. Especially results showing a dependence of the charge exchange on the initial target orbital alignment are discussed. The question to what

  3. A single LC-tandem mass spectrometry method for the simultaneous determination of 14 antimalarial drugs and their metabolites in human plasma.

    Science.gov (United States)

    Hodel, E M; Zanolari, B; Mercier, T; Biollaz, J; Keiser, J; Olliaro, P; Genton, B; Decosterd, L A

    2009-04-01

    (lower limits of quantification 0.15-3.0 and 0.75-5ng/ml for basic/neutral antimalarials and artemisinin derivatives, respectively). This is the first broad-range LC-MS/MS assay covering the currently in-use antimalarials. It is an improvement over previous methods in terms of convenience (a single extraction procedure for 14 major antimalarials and metabolites reducing significantly the analytical time), sensitivity, selectivity and throughput. While its main limitation is investment costs for the equipment, plasma samples can be collected in the field and kept at 4 degrees C for up to 48h before storage at -80 degrees C. It is suited to detecting the presence of drug in subjects for screening purposes and quantifying drug exposure after treatment. It may contribute to filling the current knowledge gaps in the pharmacokinetics/pharmacodynamics relationships of antimalarials and better define the therapeutic dose ranges in different patient populations.

  4. Structural effects on charge order in single-layered manganites R{sub 1-x}A{sub 1+x}MnO{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Engelmayer, Johannes; Ulbrich, Holger; Weber, Lisa; Braden, Markus; Lorenz, Thomas [II. Physikalisches Institut, Universitaet zu Koeln (Germany)

    2015-07-01

    Single-layered manganites show a complex interplay between charge, orbital, and magnetic degrees of freedom. For half-doped (x=1/2) R{sub 1-x}A{sub 1+x}MnO{sub 4} (R=Pr,La; A=Ca,Sr) the so-called Goodenough model is well established. This model proposes a site-centered charge order with a checkerboard pattern of Mn{sup 3+} and Mn{sup 4+} ions accompanied by an orbital order. Furthermore a magnetic order develops with ferromagnetic three-spin zig-zag chains and antiferromagnetic interchain coupling. For x=2/3 the charge order appears as stripe pattern with two adjacent stripes of Mn{sup 4+} ions alternating with a single stripe of Mn{sup 3+} ions, while in the magnetically ordered state four-spin zig-zag chains arise. For a deeper understanding of the emergence of charge order, it is appropriate to vary on the one hand the elements R and A while keeping the doping level x constant - involving structural changes at fixed charge carrier density - and on the other hand change the doping level with the same R and A. Therefore various single crystals of R{sub 1-x}A{sub 1+x}MnO{sub 4} with R=(Pr, Nd, Sm, Tb), A=(Ca, Sr) and 0.5 ≤ x ≤ 0.7 were grown and their structural parameters were determined by X-ray diffraction. Based on measurements of resistivity, magnetization, specific heat, and crystal structure we discuss the influence of structural variations on the ordering temperature.

  5. Ordered Single-Crystalline Anatase TiO2Nanorod Clusters Planted on Graphene for Fast Charge Transfer in Photoelectrochemical Solar Cells.

    Science.gov (United States)

    Wang, Yang; Liu, Xueqin; Li, Zhen; Cao, Ya; Li, Yinchang; Liu, Xupo; Jia, Songru; Zhao, Yanli

    2017-07-01

    Achieving efficient charge transport is a great challenge in nanostructured TiO 2 -electrode-based photoelectrochemical cells. Inspired by excellent directional charge transport and the well-known electroconductibility of 1D anatase TiO 2 nanostructured materials and graphene, respectively, planting ordered, single-crystalline anatase TiO 2 nanorod clusters on graphene sheets (rGO/ATRCs) via a facial one-pot solvothermal method is reported. The hierarchical rGO/ATRCs nanostructure can serve as an efficient light-harvesting electrode for dye-sensitized solar cells. In addition, the obtained high-crystallinity anatase TiO 2 nanorods in rGO/ATRCs possess a lower density of trap states, thus facilitating diffusion-driven charge transport and suppressing electron recombination. Moreover, the novel architecture significantly enhances the trap-free charge diffusion coefficient, which contributes to superior electron mobility properties. By virtue of more efficient charge transport and higher energy conversion efficiency, the rGO/ATRCs developed in this work show significant advantages over conventional rGO-TiO 2 nanoparticle counterparts in photoelectrochemical cells. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Dynamics of Charged Excitons and Biexcitons in CsPbBr3 Perovskite Nanocrystals Revealed by Femtosecond Transient-Absorption and Single-Dot Luminescence Spectroscopy.

    Science.gov (United States)

    Yarita, Naoki; Tahara, Hirokazu; Ihara, Toshiyuki; Kawawaki, Tokuhisa; Sato, Ryota; Saruyama, Masaki; Teranishi, Toshiharu; Kanemitsu, Yoshihiko

    2017-04-06

    Metal-halide perovskite nanocrystals (NCs) are promising photonic materials for use in solar cells, light-emitting diodes, and lasers. The optoelectronic properties of these devices are determined by the excitons and exciton complexes confined in their NCs. In this study, we determined the relaxation dynamics of charged excitons and biexcitons in CsPbBr 3 NCs using femtosecond transient-absorption (TA), time-resolved photoluminescence (PL), and single-dot second-order photon correlation spectroscopy. Decay times of ∼40 and ∼200 ps were obtained from the TA and PL decay curves for biexcitons and charged excitons, respectively, in NCs with an average edge length of 7.7 nm. The existence of charged excitons even under weak photoexcitation was confirmed by the second-order photon correlation measurements. We found that charged excitons play a dominant role in luminescence processes of CsPbBr 3 NCs. Combining different spectroscopic techniques enabled us to clarify the dynamical behaviors of excitons, charged excitons, and biexcitons.

  7. Single neutral pion production by charged-current ν¯μ interactions on hydrocarbon at 〈Eν〉=3.6 GeV

    Directory of Open Access Journals (Sweden)

    T. Le

    2015-10-01

    Full Text Available Single neutral pion production via muon antineutrino charged-current interactions in plastic scintillator (CH is studied using the MINERvA detector exposed to the NuMI low-energy, wideband antineutrino beam at Fermilab. Measurement of this process constrains models of neutral pion production in nuclei, which is important because the neutral-current analog is a background for ν¯e appearance oscillation experiments. The differential cross sections for π0 momentum and production angle, for events with a single observed π0 and no charged pions, are presented and compared to model predictions. These results comprise the first measurement of the π0 kinematics for this process.

  8. Single-molecule conductance of a chemically modified, π-extended tetrathiafulvalene and its charge-transfer complex with F4TCNQ.

    Science.gov (United States)

    García, Raúl; Herranz, M Ángeles; Leary, Edmund; González, M Teresa; Bollinger, Gabino Rubio; Bürkle, Marius; Zotti, Linda A; Asai, Yoshihiro; Pauly, Fabian; Cuevas, Juan Carlos; Agraït, Nicolás; Martín, Nazario

    2015-01-01

    We describe the synthesis and single-molecule electrical transport properties of a molecular wire containing a π-extended tetrathiafulvalene (exTTF) group and its charge-transfer complex with F4TCNQ. We form single-molecule junctions using the in situ break junction technique using a homebuilt scanning tunneling microscope with a range of conductance between 10 G0 down to 10(-7) G0. Within this range we do not observe a clear conductance signature of the neutral parent molecule, suggesting either that its conductance is too low or that it does not form a stable junction. Conversely, we do find a clear conductance signature in the experiments carried out on the charge-transfer complex. Due to the fact we expected this species to have a higher conductance than the neutral molecule, we believe this supports the idea that the conductance of the neutral molecule is very low, below our measurement sensitivity. This idea is further supported by theoretical calculations. To the best of our knowledge, these are the first reported single-molecule conductance measurements on a molecular charge-transfer species.

  9. Electric field reduced charging energies and two-electron bound excited states of single donors in silicon

    NARCIS (Netherlands)

    Rahman, R.; Lansbergen, G.P.; Verduijn, J.; Tettamanzi, G.C.; Park, S.H.; Collaert, N.; Biesemans, S.; Klimeck, G.; Hollenberg, L.C.L.; Rogge, S.

    2011-01-01

    We present atomistic simulations of the D0 to D? charging energies of a gated donor in silicon as a function of applied fields and donor depths and find good agreement with experimental measurements. A self-consistent field large-scale tight-binding method is used to compute the D? binding energies

  10. Doubly versus Singly Positively Charged Oxygen Ions Back-Scattering from a Silicon Surface under Dynamic O2+ Bombardment

    Czech Academy of Sciences Publication Activity Database

    Franzreb, K.; Williams, P.; Lörinčík, Jan; Šroubek, Zdeněk

    203-204, 1/4 (2003), s. 39-42 ISSN 0169-4332 Institutional research plan: CEZ:AV0Z2067918; CEZ:AV0Z4040901 Keywords : low-energy ion scattering * doubly charged ions * molecular orbital Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.284, year: 2003

  11. Mass-charge-heat coupled transfers in a single cell of a proton exchange membrane fuel cell; Transferts couples masse-charge-chaleur dans une cellule de pile a combustible a membrane polymere

    Energy Technology Data Exchange (ETDEWEB)

    Ramousse, J.

    2005-11-15

    Understanding and modelling of coupled mass, charges and heat transfers phenomena are fundamental to analyze the electrical behaviour of the system. The aim of the present model is to describe electrical performances of a PEFMC according to the fluidic and thermal operating conditions. The water content of the membrane and the water distribution in the single cell are estimated according to the coupled simulations of mass transport in the thickness of the single cell and in the feeding channels of the bipolar plates. A microscopic model of a Gas Diffusion Electrode is built up to describe charges transfer phenomena occurring at the electrodes. Completed by a study of heat transfer in the Membrane Electrode Assembly, conditions and preferential sites of water vapor condensation can be highlighted. A set of measurements of the effective thermal conductivity of carbon felts used in fuel cells as porous backing layers have also been performed. Although the value of this parameter is essential for the study of heat transfer, it is still under investigation because of the strong thermal anisotropy of the medium. (author)

  12. Charge-carrier mobilities in Cd(0.8)Zn(0.2)Te single crystals used as nuclear radiation detectors

    Science.gov (United States)

    Burshtein, Z.; Jayatirtha, H. N.; Burger, A.; Butler, J. F.; Apotovsky, B.; Doty, F. P.

    1993-01-01

    Charge-carrier mobilities were measured for the first time in Cd(0.8)Zn(0.2)Te single crystals using time-of-flight measurements of charge carriers produced by short (10 ns) light pulses from a frequency-doubled Nd:YAG laser (532 nm). The electron mobility displayed a T exp -1.1 dependence on the absolute temperature T in the range 200-320 K, with a room-temperature mobility of 1350 sq cm/V s. The hole mobility displayed a T exp -2.0 dependence in the same temperature range, with a room-temperature mobility of 120 sq cm/V s. Cd(0.8)Zn(0.2)Te appears to be a very favorable material for a room-temperature electronic nuclear radiation detector.

  13. Nanoampere charge pump by single-electron ratchet using silicon nanowire metal-oxide-semiconductor field-effect transistor

    Science.gov (United States)

    Fujiwara, Akira; Nishiguchi, Katsuhiko; Ono, Yukinori

    2008-01-01

    Nanoampere single-electron pumping is presented at 20K using a single-electron ratchet comprising silicon nanowire metal-oxide-semiconductor field-effect transistors. The ratchet features an asymmetric potential with a pocket that captures single electrons from the source and ejects them to the drain. Directional single-electron transfer is achieved by applying one ac signal with the frequency up to 2.3GHz. We find anomalous shapes of current steps which can be ascribed to nonadiabatic electron capture.

  14. Electron Spin Resonance study of charge trapping in α-ZnMoO.sub.4./sub. single crystal scintillator

    Czech Academy of Sciences Publication Activity Database

    Buryi, Maksym; Spassky, D.A.; Hybler, Jiří; Laguta, Valentyn; Nikl, Martin

    2015-01-01

    Roč. 47, Sep (2015), 244-250 ISSN 0925- 3467 R&D Projects: GA MŠk LO1409; GA MŠk(CZ) LM2011029; GA ČR GAP204/12/0805 Institutional support: RVO:68378271 Keywords : Electron Spin Resonance * scintillator * charge traps * zinc molybdate Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.183, year: 2015

  15. Predictive DFT-based approaches to charge and spin transport in single-molecule junctions and two-dimensional materials: successes and challenges.

    Science.gov (United States)

    Quek, Su Ying; Khoo, Khoong Hong

    2014-11-18

    CONSPECTUS: The emerging field of flexible electronics based on organics and two-dimensional (2D) materials relies on a fundamental understanding of charge and spin transport at the molecular and nanoscale. It is desirable to make predictions and shine light on unexplained experimental phenomena independently of experimentally derived parameters. Indeed, density functional theory (DFT), the workhorse of first-principles approaches, has been used extensively to model charge/spin transport at the nanoscale. However, DFT is essentially a ground state theory that simply guarantees correct total energies given the correct charge density, while charge/spin transport is a nonequilibrium phenomenon involving the scattering of quasiparticles. In this Account, we critically assess the validity and applicability of DFT to predict charge/spin transport at the nanoscale. We also describe a DFT-based approach, DFT+Σ, which incorporates corrections to Kohn-Sham energy levels based on many-electron calculations. We focus on single-molecule junctions and then discuss how the important considerations for DFT descriptions of transport can differ in 2D materials. We conclude that when used appropriately, DFT and DFT-based approaches can play an important role in making predictions and gaining insight into transport in these materials. Specifically, we shall focus on the low-bias quasi-equilibrium regime, which is also experimentally most relevant for single-molecule junctions. The next question is how well can the scattering of DFT Kohn-Sham particles approximate the scattering of true quasiparticles in the junction? Quasiparticles are electrons (holes) that are surrounded by a constantly changing cloud of holes (electrons), but Kohn-Sham particles have no physical significance. However, Kohn-Sham particles can often be used as a qualitative approximation to quasiparticles. The errors in standard DFT descriptions of transport arise primarily from errors in the Kohn-Sham energy levels

  16. A single Sfp-type phosphopantetheinyl transferase plays a major role in the biosynthesis of PKS and NRPS derived metabolites in Streptomyces ambofaciens ATCC23877.

    Directory of Open Access Journals (Sweden)

    Robert Bunet

    Full Text Available The phosphopantetheinyl transferases (PPTases are responsible for the activation of the carrier protein domains of the polyketide synthases (PKS, non ribosomal peptide synthases (NRPS and fatty acid synthases (FAS. The analysis of the Streptomyces ambofaciens ATCC23877 genome has revealed the presence of four putative PPTase encoding genes. One of these genes appears to be essential and is likely involved in fatty acid biosynthesis. Two other PPTase genes, samT0172 (alpN and samL0372, are located within a type II PKS gene cluster responsible for the kinamycin production and an hybrid NRPS-PKS cluster involved in antimycin production, respectively, and their products were shown to be specifically involved in the biosynthesis of these secondary metabolites. Surprisingly, the fourth PPTase gene, which is not located within a secondary metabolite gene cluster, appears to play a pleiotropic role. Its product is likely involved in the activation of the acyl- and peptidyl-carrier protein domains within all the other PKS and NRPS complexes encoded by S. ambofaciens. Indeed, the deletion of this gene affects the production of the spiramycin and stambomycin macrolide antibiotics and of the grey spore pigment, all three being PKS-derived metabolites, as well as the production of the nonribosomally produced compounds, the hydroxamate siderophore coelichelin and the pyrrolamide antibiotic congocidine. In addition, this PPTase seems to act in concert with the product of samL0372 to activate the ACP and/or PCP domains of the antimycin biosynthesis cluster which is also responsible for the production of volatile lactones.

  17. A single Sfp-type phosphopantetheinyl transferase plays a major role in the biosynthesis of PKS and NRPS derived metabolites in Streptomyces ambofaciens ATCC23877.

    Science.gov (United States)

    Bunet, Robert; Riclea, Ramona; Laureti, Luisa; Hôtel, Laurence; Paris, Cédric; Girardet, Jean-Michel; Spiteller, Dieter; Dickschat, Jeroen S; Leblond, Pierre; Aigle, Bertrand

    2014-01-01

    The phosphopantetheinyl transferases (PPTases) are responsible for the activation of the carrier protein domains of the polyketide synthases (PKS), non ribosomal peptide synthases (NRPS) and fatty acid synthases (FAS). The analysis of the Streptomyces ambofaciens ATCC23877 genome has revealed the presence of four putative PPTase encoding genes. One of these genes appears to be essential and is likely involved in fatty acid biosynthesis. Two other PPTase genes, samT0172 (alpN) and samL0372, are located within a type II PKS gene cluster responsible for the kinamycin production and an hybrid NRPS-PKS cluster involved in antimycin production, respectively, and their products were shown to be specifically involved in the biosynthesis of these secondary metabolites. Surprisingly, the fourth PPTase gene, which is not located within a secondary metabolite gene cluster, appears to play a pleiotropic role. Its product is likely involved in the activation of the acyl- and peptidyl-carrier protein domains within all the other PKS and NRPS complexes encoded by S. ambofaciens. Indeed, the deletion of this gene affects the production of the spiramycin and stambomycin macrolide antibiotics and of the grey spore pigment, all three being PKS-derived metabolites, as well as the production of the nonribosomally produced compounds, the hydroxamate siderophore coelichelin and the pyrrolamide antibiotic congocidine. In addition, this PPTase seems to act in concert with the product of samL0372 to activate the ACP and/or PCP domains of the antimycin biosynthesis cluster which is also responsible for the production of volatile lactones.

  18. Role of hyperfine interaction on electron spin optical orientation in charge-controlled InAs-GaAs single quantum dots

    International Nuclear Information System (INIS)

    Krebs, O.; Eble, B.; Lemaitre, A.; Kudelski, A.; Voisin, P.; Urbaszek, B.; Marie, X.; Amand, T.; Kowalik, K.

    2007-01-01

    We report on electron spin physics in a single charge-tunable self-assembled InAs/GaAs quantum dot. The hyperfine interaction between the optically oriented electron and nuclear spins leads to the polarization of the quantum dot nuclei. The sign of the resulting Overhauser-shift depends on the trion state X + or X - , and remarkably its strength does not vanish in zero magnetic field. This explains the quenching of X + spin relaxation under steady-state excitation polarization. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  19. First Measurement of the Muon Neutrino Charged Current Single Pion Production Cross Section on Water with the T2K Near Detector

    CERN Document Server

    Abe, K.

    2017-01-26

    The T2K off-axis near detector, ND280, is used to make the first differential cross section measurements of muon neutrino charged current single positive pion production on a water target at energies ${\\sim}0.8$~GeV. The differential measurements are presented as a function of muon and pion kinematics, in the restricted phase-space defined by $p_{\\pi^+}>200$MeV/c, $p_{\\mu^-}>200$MeV/c, $\\cos \\theta_{\\pi^+}>0.3$ and $\\cos \\theta_{\\mu^-}>0.3$. The total flux integrated $\

  20. Bianthrone in a Single-Molecule Junction: Conductance Switching with a Bistable Molecule Facilitated by Image Charge Effects

    DEFF Research Database (Denmark)

    Bjørnholm, Thomas

    2010-01-01

    isomerization events. Temperature dependence of the switching rate allows for an estimate of the activation energy of the process, on the order of 120 +/- 50 meV. Quantum-chemical calculations of the potential energy relief of neutral bianthrone and its anion, including identification of transition states......, yields the isolated molecule isomerization barriers too high vs the previous estimate, though compatible with previous experimental studies in solution. Nevertheless, we show that the attraction of the anion in the vicinity of the metal surface by its image charge can change the energetic landscape...

  1. Engineering Microbial Metabolite Dynamics and Heterogeneity.

    Science.gov (United States)

    Schmitz, Alexander C; Hartline, Christopher J; Zhang, Fuzhong

    2017-10-01

    As yields for biological chemical production in microorganisms approach their theoretical maximum, metabolic engineering requires new tools, and approaches for improvements beyond what traditional strategies can achieve. Engineering metabolite dynamics and metabolite heterogeneity is necessary to achieve further improvements in product titers, productivities, and yields. Metabolite dynamics, the ensemble change in metabolite concentration over time, arise from the need for microbes to adapt their metabolism in response to the extracellular environment and are important for controlling growth and productivity in industrial fermentations. Metabolite heterogeneity, the cell-to-cell variation in a metabolite concentration in an isoclonal population, has a significant impact on ensemble productivity. Recent advances in single cell analysis enable a more complete understanding of the processes driving metabolite heterogeneity and reveal metabolic engineering targets. The authors present an overview of the mechanistic origins of metabolite dynamics and heterogeneity, why they are important, their potential effects in chemical production processes, and tools and strategies for engineering metabolite dynamics and heterogeneity. The authors emphasize that the ability to control metabolite dynamics and heterogeneity will bring new avenues of engineering to increase productivity of microbial strains. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Threshold voltage variation depending on single grain boundary and stored charges in an adjacent cell for vertical silicon–oxide–nitride–oxide–silicon NAND flash memory

    Science.gov (United States)

    Oh, Hyeongwan; Kim, Jiwon; Baek, Rock-Hyun; Lee, Jeong-Soo

    2018-04-01

    The effects of single grain boundary (SGB) position and stored electron charges in an adjacent cell in silicon–oxide–nitride–oxide–silicon (SONOS) structures on the variations of threshold voltage (V th) were investigated using technology computer-aided design (TCAD) simulation. As the bit line voltage increases, the SGB position causing the maximum V th variation was shifted from the center to the source side in the channel, owing to the drain-induced grain barrier lowering effect. When the SGB is located in the spacer region, the potential interaction from both the SGB and the stored electron charges in the adjacent cell becomes significant and thus resulting in larger V th variation. In contrast, when the SGB is located at the center of the channel, the peak position of potential barrier is shifted to the center, so that the influence of the adjacent cell is diminished. As the gate length is scaled down to 20 nm, the influence of stored charges in adjacent cells becomes significant, resulting in larger V th variations.

  3. Neutral and Charged Exciton Fine Structure in Single Lead Halide Perovskite Nanocrystals Revealed by Magneto-optical Spectroscopy.

    Science.gov (United States)

    Fu, Ming; Tamarat, Philippe; Huang, He; Even, Jacky; Rogach, Andrey L; Lounis, Brahim

    2017-05-10

    Revealing the crystal structure of lead halide perovskite nanocrystals is essential for the optimization of stability of these emerging materials in applications such as solar cells, photodetectors, and light-emitting devices. We use magneto-photoluminescence spectroscopy of individual perovskite CsPbBr 3 nanocrystals as a unique tool to determine their crystal structure, which imprints distinct signatures in the excitonic sublevels of charge complexes at low temperatures. At zero magnetic field, the identification of two classes of photoluminescence spectra, displaying either two or three sublevels in their exciton fine structure, shows evidence for the existence of two crystalline structures, namely tetragonal D 4h and orthorhombic D 2h phases. Magnetic field shifts, splitting, and coupling of the sublevels provide a determination of the diamagnetic coefficient and valuable information on the exciton g-factor and its anisotropic character. Moreover, this spectroscopic study reveals the optical properties of charged excitons and allows the extraction of the electron and hole g-factors for perovskite systems.

  4. DFT calculations of the charged states of N@C60 and Fe4 single molecule magnets investigated in tunneling spectroscopy

    Science.gov (United States)

    Nossa, Javier; Islam, Fhokrul; Canali, Carlo; Pederson, Mark

    2012-02-01

    For device applications of single molecule magnets (SMMs) in high-density information storage and quantum-state control it is essential that the magnetic properties of the molecules remain stable under the influence of metallic contacts or surface environment. Recent tunneling experiments [1, 2] on N@C60 and Fe4 SMM have shown that these molecules preserve their magnetic characteristics when they are used as the central island of single-electron transistors. Although quantum spin models have been used extensively to study theoretically tunneling spectroscopy of SMMs, it has been shown recently that the orbital degrees of freedom, which is absent in spin models, can significantly affect the tunneling conductance [3]. In this work we present first-principles calculations of the neutral and charged states of N@C60 and Fe4 SMMs, and discuss a strategy to include their properties into a theory of quantum transport. We also present results of the magnetic anisotropy for the different charge states of Fe4 and discuss their relevance for experiments [2] in the sequential tunneling and cotunnelling regimes. [4pt] [1]. N. Roch et al., Phys. Rev. B 83, 081407 (2011). [0pt] [2]. A.S. Zyazin et al., Nano Lett. 10, 3307 (2010). [0pt] [3]. L. Michalak et al., Phys. Rev. Lett. 104, 017202 (2010).

  5. Bianthrone in a Single-Molecule Junction: Conductance Switching with a Bistable Molecule Facilitated by Image Charge Effects

    DEFF Research Database (Denmark)

    Bjørnholm, Thomas

    2010-01-01

    Bianthrone is a sterically hindered compound that exists in the form of two nonplanar isomers. Our experimental study of single-molecule junctions with bianthrone reveals persistent switching of electric conductance at low temperatures, which can be reasonably associated with molecular isomerizat...

  6. Giant plasmon excitation in single and double ionization of C{sub 60} by fast highly charged Si and O ions

    Energy Technology Data Exchange (ETDEWEB)

    Kelkar, A H; Kadhane, U; Misra, D; Tribedi, L C [Tata Institute of Fundamental Research, Colaba, Mumbai-5 (India)

    2007-09-15

    Se have investigated single and double ionization of C{sub 60} molecule in collisions with 2.33 MeV/u Si{sup q+} (q=6-14) and 3.125 MeV/u O{sup q+} (q=5-8) projectiles. The projectile charge state dependence of the single and double ionization yields of C{sub 60} are then compared to those for an ion-atom collision system using Ne gas as a target. A large difference between the gas and the cluster target behaviour was partially explained in terms of a model based on collective excitation namely the giant dipole plasmon resonance (GDPR). The qualitative agreement between the data and GDPR model prediction for single and double ionization signifies the importance of single and double plasmon excitations in the ionization process. A large deviation of the GDPR model for triple and quadruple ionization from the experimental data imply the importance of the other low impact parameter processes such as evaporation, fragmentation and a possible solid-like dynamical screening.

  7. Spontaneously formed high-performance charge-transport layers of organic single-crystal semiconductors on precisely synthesized insulating polymers

    Science.gov (United States)

    Makita, Tatsuyuki; Sasaki, Masayuki; Annaka, Tatsuro; Sasaki, Mari; Matsui, Hiroyuki; Mitsui, Chikahiko; Kumagai, Shohei; Watanabe, Shun; Hayakawa, Teruaki; Okamoto, Toshihiro; Takeya, Jun

    2017-04-01

    Charge-transporting semiconductor layers with high carrier mobility and low trap-density, desired for high-performance organic transistors, are spontaneously formed as a result of thermodynamic phase separation from a blend of π-conjugated small molecules and precisely synthesized insulating polymers dissolved in an aromatic solvent. A crystal film grows continuously to the size of centimeters, with the critical conditions of temperature, concentrations, and atmosphere. It turns out that the molecular weight of the insulating polymers plays an essential role in stable film growth and interfacial homogeneity at the phase separation boundary. Fabricating the transistor devices directly at the semiconductor-insulator boundaries, we demonstrate that the mixture of 3,11-didecyldinaphtho[2,3-d:2',3'-d']benzo[1,2-b:4,5-b']dithiophene and poly(methyl methacrylate) with the optimized weight-average molecular weight shows excellent device performances. The spontaneous phase separation with a one-step fabrication process leads to a high mobility up to 10 cm2 V-1 s-1 and a low subthreshold swing of 0.25 V dec-1 even without any surface treatment such as self-assembled monolayer modifications on oxide gate insulators.

  8. Development and validation of a single LC-MS/MS assay following SPE for simultaneous hair analysis of amphetamines, opiates, cocaine and metabolites.

    Science.gov (United States)

    Imbert, L; Dulaurent, S; Mercerolle, M; Morichon, J; Lachâtre, G; Gaulier, J-M

    2014-01-01

    The two major challenges in hair analysis are the limited amount of samples usually available and the low targeted concentrations. To overcome these limitations, a liquid chromatography-electrospray-tandem mass spectrometry method (LC-ESI-MS/MS) allowing the simultaneous analysis of 17 amphetamines (amphetamine, BDB, m-CPP, dexfenfluramine, DOB, DOM, ephedrine, MBDB, MDA, MDEA, MDMA, methamphetamine, methylphenidate, 4-MTA, norephedrine, norfenfluramine and PMA), 5 opiates (morphine, codeine, heroin, ethylmorphine, and 6AM), cocaine and 5 metabolites [ecgonine methyl ester (EME), benzoylecgonine (BZE), anhydroecgonine methyl ester (AME), cocaethylene, and norcocaine] has been developed. The validation procedure included linearity, intra-day and inter-day variability and accuracy for 5 days (5 replicates at 3 concentration levels). Proficiency studies were used to check the accuracy of the method. As a result, all amphetamines, opiates and cocaine derivatives were satisfactory identified by 2 MRM transitions in 15 min. Calibration curves were performed by a quadratic 1/X weighted regression. The calibration model fits from 0.05 to 10 ng/mg. The limits of detection (LODs) range between 0.005 and 0.030 ng/mg. Precision has been checked by intra-day and inter-day RSD, and associated relative bias, which were lower than 25% for the limits of quantifications (LOQs) and lower than 20% for the other levels tested. This method was routinely applied to hair samples: two positive results of adult drug addicts are presented. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

  9. Ab initio LCAO-MO cluster-type calculation of the self-consistent electronic screening charge density around a single hydrogen impurity in a nickel crystal

    International Nuclear Information System (INIS)

    Simpson, R.W.; Lane, N.F.; Chaney, R.C.

    1978-01-01

    The electronic structure for a Ni atom cluster embedded in bulk Ni by use of a spin-averaged local exchange SCF Ni crystal potential is calculated with an ab initio LCAO-Mo variational method. A single hydrogen impurity is added at the cluster center (fcc octahedral interstitial site) and the electronic structure computed iteratively until the change in electron density from the pure Ni cluster density is self-consistent. The H-Ni 6 self-consistent density change is compared to the charge density around a free hydrogen atom and to the initial-response density change in H-Ni 14 and H-Ni 38 clusters. 14 references

  10. Spectroscopic methods to analyze drug metabolites.

    Science.gov (United States)

    Yi, Jong-Jae; Park, Kyeongsoon; Kim, Won-Je; Rhee, Jin-Kyu; Son, Woo Sung

    2018-03-09

    Drug metabolites have been monitored with various types of newly developed techniques and/or combination of common analytical methods, which could provide a great deal of information on metabolite profiling. Because it is not easy to analyze whole drug metabolites qualitatively and quantitatively, a single solution of analytical techniques is combined in a multilateral manner to cover the widest range of drug metabolites. Mass-based spectroscopic analysis of drug metabolites has been expanded with the help of other parameter-based methods. The current development of metabolism studies through contemporary pharmaceutical research are reviewed with an overview on conventionally used spectroscopic methods. Several technical approaches for conducting drug metabolic profiling through spectroscopic methods are discussed in depth.

  11. First principles analysis of the CDW instability of single-layer 1T-TiSe2 and its evolution with charge carrier density

    Science.gov (United States)

    Guster, Bogdan; Canadell, Enric; Pruneda, Miguel; Ordejón, Pablo

    2018-04-01

    We present a density functional theory study of the electronic structure of single-layer TiSe2, and focus on the charge density wave (CDW) instability present on this 2D material. We explain the 2× 2 periodicity of the CDW from the phonon band structure of the undistorted crystal, which is unstable under one of the phonon modes at the M point. This can be understood in terms of a partial band gap opening at the Fermi level, which we describe on the basis of the symmetry of the involved crystal orbitals, leading to an energy gain upon the displacement of the atoms following the phonon mode in a 2  ×  1 structure. Furthermore, the combination of the corresponding phonons for the three inequivalent M points of the Brillouin zone leads to the 2  ×  2 distortion characteristic of the CDW state. This leads to a further opening of a full gap, which reduces the energy of the 2  ×  2 structure compared to the 2  ×  1 one of a single M point phonon, and makes the CDW structure the most stable one. We also analyze the effect of charge injection into the layer on the structural instability. We predict that the 2  ×  2 structure only survives for a certain range of doping levels, both for electrons and for holes, as doping reduces the energy gain due to the gap opening. We predict the transition from the commensurate 2  ×  2 distortion to an incommensurate one with increasing wavelength upon increasing the doping level, followed by the appearance of the undistorted 1  ×  1 structure for larger carrier concentrations.

  12. Can Kohn-Sham density functional theory predict accurate charge distributions for both single-reference and multi-reference molecules?

    Science.gov (United States)

    Verma, Pragya; Truhlar, Donald G

    2017-05-24

    Dipole moments are the first moment of electron density and are fundamental quantities that are often available from experiments. An exchange-correlation functional that leads to an accurate representation of the charge distribution of a molecule should accurately predict the dipole moments of the molecule. It is well known that Kohn-Sham density functional theory (DFT) is more accurate for the energetics of single-reference systems than for the energetics of multi-reference ones, but there has been less study of charge distributions. In this work, we benchmark 48 density functionals chosen with various combinations of ingredients, against accurate experimental data for dipole moments of 78 molecules, in particular 55 single-reference molecules and 23 multi-reference ones. We chose both organic and inorganic molecules, and within the category of inorganic molecules there are both main-group and transition-metal-containing molecules, with some of them being multi-reference. As one would expect, the multi-reference molecules are not as well described by single-reference DFT, and the functionals tested in this work do show larger mean unsigned errors (MUEs) for the 23 multi-reference molecules than the single-reference ones. Five of the 78 molecules have relatively large experimental error bars and were therefore not included in calculating the overall MUEs. For the 73 molecules not excluded, we find that three of the hybrid functionals, B97-1, PBE0, and TPSSh (each with less than or equal to 25% Hartree-Fock (HF) exchange), the range-separated hybrid functional, HSE06 (with HF exchange decreasing from 25% to 0 as interelectronic distance increases), and the hybrid functional, PW6B95 (with 28% HF exchange) are the best performing functionals with each yielding an MUE of 0.18 D. Perhaps the most significant finding of this study is that there exists great similarity among the success rate of various functionals in predicting dipole moments. In particular, of 39

  13. Study of Single Event Effects induced by highly energetic charged particles of the space environment in CMOS image Sensors

    International Nuclear Information System (INIS)

    Lalucaa, Valerian

    2013-01-01

    This thesis studies the single event effects of space environment in CMOS image sensors (CIS). This work focuses on the effects of heavy ions on 3T standard photodiode pixels, and 4T and 5T pinned photodiode pixels. The first part describes the space radioactive environment and the sensor architecture. The most harmful events (SEL and SETs) are identified thanks to the scientific literature. The experimentally tested sensors agree with the theoretical work. SETs are compared to STARDUST simulations with a good agreement for all ions and sensors. The work explains why the SETs on 3T pixels are insensitive to the various photodiode designs, and they are decreased when an epitaxial substrate is used. A method using anti-blooming was successfully used in 4T and 5T pixels to prevent the spread of the SETs. The mechanism of latch-up in 4T pixel sensors is described. All the identified mechanisms are very useful to provide hardening methods for the CISs. (author) [fr

  14. Pharmacokinetics of Roflumilast and Its Active Metabolite Roflumilast N-Oxide in Healthy Chinese Subjects After Single and Multiple Oral Doses.

    Science.gov (United States)

    Li, Qian; Wang, Yiya; Liu, Lingye; Ma, Pengcheng; Ding, Li

    2017-06-01

    Roflumilast is a selective, oral phosphodiesterase 4 inhibitor approved for the treatment of severe chronic obstructive pulmonary disease. The aim of this study was to evaluate the pharmacokinetics of roflumilast and roflumilast N-oxide in healthy Chinese subjects, and the effects of gender and food on their respective pharmacokinetic profiles. 36 healthy Chinese subjects were recruited in a randomized, single-center, open-label, parallel group study and assigned to 0.25-, 0.375-, and 0.5-mg dose groups. The single-dose pharmacokinetic studies in fasting condition were carried out in all groups. Moreover, the food effect study and multiple-dose study were conducted in 0.375-mg dose group. Serial blood samples were collected over 168 h after dosing, and plasma concentrations of roflumilast and roflumilast N-oxide were determined using a validated LC-MS/MS method. After oral administration of single doses of 0.25, 0.375 and 0.5 mg of roflumilast under fasting condition, the mean AUC 0-72h for roflumilast was 21.7 ± 8.3, 29.8 ± 8.3 and 54.2 ± 21.3 ng·h/mL, respectively. Meanwhile the mean AUC 0-168h for roflumilast N-oxide was 290 ± 103, 385 ± 107 and 673 ± 245 ng·h/mL, respectively. In the steady state after the multi-dose administration, the exposure to roflumilast in the subjects increased 20-40 %, and the exposure to roflumilast N-oxide increased about 169 %, compared to the single-dose administration. No statistically significant effect of gender on the disposition of roflumilast and roflumilast N-oxide was observed. Food had no effect on systemic exposure to roflumilast and roflumilast N-oxide in the subjects, but delayed the T max of roflumilast by 0.9 h and reduced the C max of roflumilast by approximately 20 %. Based upon between-study comparison, peak and systemic exposure of roflumilast and roflumilast N-oxide were higher in Chinese than that in Caucasian subjects after oral administration of the same dose (i.e., 0.25 and 0.5

  15. Single nucleotide polymorphisms in the vitamin D pathway associating with circulating concentrations of vitamin D metabolites and non-skeletal health outcomes: Review of genetic association studies.

    Science.gov (United States)

    Jolliffe, David A; Walton, Robert T; Griffiths, Christopher J; Martineau, Adrian R

    2016-11-01

    Polymorphisms in genes encoding proteins involved in vitamin D metabolism and transport are recognised to influence vitamin D status. Syntheses of genetic association studies linking these variants to non-skeletal health outcomes are lacking. We therefore conducted a literature review to identify reports of statistically significant associations between single nucleotide polymorphisms (SNP) in 11 vitamin D pathway genes (DHCR7, CYP2R1, CYP3A4, CYP27A1, DBP, LRP2, CUB, CYP27B1, CYP24A1, VDR and RXRA) and non-bone health outcomes and circulating levels of 25-hydroxyvitamin D (25[OH]D and 1,25-dihydroxyvitamin D (1,25[OH] 2 D). A total of 120 genetic association studies reported positive associations, of which 44 investigated determinants of circulating 25(OH)D and/or 1,25(OH) 2 D concentrations, and 76 investigated determinants of non-skeletal health outcomes. Statistically significant associations were reported for a total of 55 SNP in the 11 genes investigated. There was limited overlap between genetic determinants of vitamin D status and those associated with non-skeletal health outcomes: polymorphisms in DBP, CYP2R1 and DHCR7 were the most frequent to be reported to associate with circulating concentrations of 25(OH)D, while polymorphisms in VDR were most commonly reported to associate with non-skeletal health outcomes, among which infectious and autoimmune diseases were the most represented. Copyright © 2015 Elsevier Ltd. All rights reserved.

  16. Charge trapping and storage by composite P3HT/PC60BM nanoparticles investigated by fluorescence-voltage/single particle spectroscopy.

    Science.gov (United States)

    Hu, Zhongjian; Gesquiere, Andre J

    2011-12-28

    Fluorescence-voltage/single particle spectroscopy (F-V/SPS) was employed to study exciton-hole polaron interactions and interfacial charge transfer processes for pure poly(3-hexylthiophene) (P3HT) nanoparticles (NPs) and composite P3HT/PC(60)BM NPs in functioning hole-injection devices. F-V/SPS data collected on a particle-by-particle basis reveal an apparent bistability in the fluorescence-voltage modulation curves for composite NPs of P3HT and [6,6]-phenyl-C(61)-butyric acid methyl ester (PC(60)BM) that is absent for pure P3HT NPs. A pronounced deep trapping of free electrons photogenerated from the composite P3HT/PC(60)BM NPs at the NP/dielectric interface and hole trapping by fullerene anions in composite P3HT/PC(60)BM NPs under photoexcitation lies at the basis of this finding. The deep electron trapping effect reported here for composite conjugated polymer/fullerene NPs presents an opportunity for future application of these NPs in nanoscale memory and imaging devices. © 2011 American Chemical Society

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

    Science.gov (United States)

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

    2018-03-01

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

  18. A novel single-step GC-MS/MS method for cannabinoids and 11-OH-THC metabolite analysis in hair.

    Science.gov (United States)

    Angeli, Ilaria; Casati, Sara; Ravelli, Alessandro; Minoli, Mauro; Orioli, Marica

    2018-03-16

    THC, CBD, CBN, THC-COOH and 11-OH-THC are the most popular markers of cannabis consumption and abuse. The use of this drug is a serious social problem worldwide. In this study, a method based on gas chromatography-tandem mass spectrometry (GC-MS/MS) operated in electron ionization (EI) with simple and rapid liquid-liquid extraction (LLE) and derivatization was developed and validated for the simultaneous determination of THC, CBD, CBN and 11-OH-THC in hair samples. The detection of all compounds was based on multiple reaction monitoring (MRM) transitions. The most important advantage of this method is the single-step, quick, easy and effective sample extraction procedure for THC, CBD, CBN and 11-OH-THC. The method showed a good linearity with a correlation coefficient (r 2 ) between 0.997 and 0.999 for all substances. The variation coefficient (%CV) was <5% for THC, 11-OH-THC and CBD and <13% for CBN. The limit of detection (LOD) was 0.03 pg/mg for 11-OH-THC and it ranged from 0.3 to 1.4 pg/mg for THC, CBD and CBN. The limit of quantification was 0.1 pg/mg for 11-OH-THC and it ranged from 0.9 to 4.7 pg/mg for THC, CBD and CBN. Analytical recovery was higher than 88% for 11-OH-THC and it ranged between 68 and 97% for THC, CBD and CBN. Intra- and inter-assay precision and accuracy were always lower than 9-14% and 5-9%, respectively. In parallel, we have quantified the THC-COOH level, following the methods previously set-up by us. The whole procedure was successfully applied to more than 200 different hair samples from cannabis consumers, disclosing the presence of 11-OH-THC in a range between 0.2 pg/mg and 27 pg/mg, and the presence of THC-COOH in a range between 0.05 pg/mg and 42.05 pg/mg. These data provided a good start towards the use of 11-THC-OH as alternative hair biomarker of cannabis consumption. Copyright © 2018 Elsevier B.V. All rights reserved.

  19. 139La NMR investigation of the charge and spin order in a La1.885Sr0.115CuO4 single crystal

    Science.gov (United States)

    Arsenault, A.; Takahashi, S. K.; Imai, T.; He, W.; Lee, Y. S.; Fujita, M.

    2018-02-01

    139La NMR is suited for investigations into magnetic properties of La2CuO4 -based cuprates in the vicinity of their magnetic instabilities, owing to the modest hyperfine interactions between 139La nuclear spins and Cu electron spins. We report comprehensive 139La NMR measurements on a single-crystal sample of high-Tc superconductor La1.885Sr0.115CuO4 in a broad temperature range across the charge and spin order transitions (Tcharge≃80 K, Tspinneutron≃Tc=30 K). From the high-precision measurements of the linewidth for the nuclear spin Iz=+1 /2 to -1 /2 central transition, we show that paramagnetic line broadening sets in precisely at Tcharge due to enhanced spin correlations within the CuO2 planes. Additional paramagnetic line broadening ensues below ˜35 K, signaling that Cu spins in some segments of CuO2 planes are on the verge of three-dimensional magnetic order. A static hyperfine magnetic field arising from ordered Cu moments along the a b plane, however, begins to develop only below Tspinμ S R=15 -20 K, where earlier muon spin rotation measurements detected Larmor precession for a small volume fraction (˜20 % ) of the sample. Based on the measurement of 139La nuclear-spin-lattice relaxation rate 1 /T1 , we also show that charge order triggers enhancement of low-frequency Cu spin fluctuations inhomogeneously; a growing fraction of 139La sites is affected by enhanced low-frequency spin fluctuations toward the eventual magnetic order, whereas a diminishing fraction continues to exhibit a behavior analogous to the optimally superconducting phase even below Tcharge. These 139La NMR results corroborate our recent 63Cu NMR observation that a very broad, anomalous winglike signal gradually emerges below Tcharge, whereas the normally behaving, narrower main peak is gradually wiped out [T. Imai et al., Phys. Rev. B 96, 224508 (2017), 10.1103/PhysRevB.96.224508]. Furthermore, we show that the enhancement of low-energy spin excitations in the low-temperature regime

  20. A Charge Parity Ammeter

    Science.gov (United States)

    Lambert, Nicholas J.; Edwards, Megan; Ciccarelli, Chiara; Ferguson, Andrew J.

    2014-03-01

    A metallic double-dot is measured with radio frequency reflectometry. Changes in the total electron number of the double-dot are determined via single electron tunnelling contributions to the complex electrical impedance. Electron counting experiments are performed by monitoring the impedance, demonstrating operation of a single electron ammeter without the need for external charge detection.

  1. Enhanced metabolite generation

    Science.gov (United States)

    Chidambaram, Devicharan [Middle Island, NY

    2012-03-27

    The present invention relates to the enhanced production of metabolites by a process whereby a carbon source is oxidized with a fermentative microbe in a compartment having a portal. An electron acceptor is added to the compartment to assist the microbe in the removal of excess electrons. The electron acceptor accepts electrons from the microbe after oxidation of the carbon source. Other transfers of electrons can take place to enhance the production of the metabolite, such as acids, biofuels or brewed beverages.

  2. Fractional charges

    International Nuclear Information System (INIS)

    Saminadayar, L.

    2001-01-01

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

  3. A new method for charge trapping measurement during electron beam irradiation: application to glass containing alkali ions and single-crystalline quartz

    International Nuclear Information System (INIS)

    Fakhfakh, S; Ghorbel, N; Jbara, O; Rondot, S; Martin, D; Fakhfakh, Z; Kallel, A

    2004-01-01

    The aim of this work is to study the electron irradiation behaviour of an insulating material surface using a scanning electron microscope (SEM). The charging phenomena caused in two kinds of insulating materials (quartz and glass) by continuous electron irradiation have been observed. The discharging phenomena following switching off of irradiation have also been studied. The trapped charge density is determined by using the so-called electrostatic influence method based on the measurement, during and after the irradiation, of the influence and leakage currents using an arrangement adapted to the SEM. The experimental results reveal that the behaviour under irradiation of glass is entirely different from that of quartz. The trapped charges are found to be different, and the dependence of charging on the primary beam energy is discussed. The charging and discharging time constants have been determined accurately, and their evolution versus the mean electron penetration depth is qualitatively explained. Moreover, the role of secondary electron emission in the regulation mechanism of charging is underlined

  4. A new method for charge trapping measurement during electron beam irradiation: application to glass containing alkali ions and single-crystalline quartz

    Energy Technology Data Exchange (ETDEWEB)

    Fakhfakh, S [LASSI/DTI UMR CNRS 6107, Faculte des Sciences BP 1039, 51687 Reims CDX 2 (France); Ghorbel, N [LASSI/DTI UMR CNRS 6107, Faculte des Sciences BP 1039, 51687 Reims CDX 2 (France); Jbara, O [LASSI/DTI UMR CNRS 6107, Faculte des Sciences BP 1039, 51687 Reims CDX 2 (France); Rondot, S [LASSI/DTI UMR CNRS 6107, Faculte des Sciences BP 1039, 51687 Reims CDX 2 (France); Martin, D [Saint Gobain Recherche, 39 quai Lucien Lefranc, BP 135, 93303 Aubervilliers CDX (France); Fakhfakh, Z [LaMaCop, Faculte des Sciences de SFAX, Route Soukra km 3, BP 802, 3018 Sfax (Tunisia); Kallel, A [LaMaCop, Faculte des Sciences de SFAX, Route Soukra km 3, BP 802, 3018 Sfax (Tunisia)

    2004-08-07

    The aim of this work is to study the electron irradiation behaviour of an insulating material surface using a scanning electron microscope (SEM). The charging phenomena caused in two kinds of insulating materials (quartz and glass) by continuous electron irradiation have been observed. The discharging phenomena following switching off of irradiation have also been studied. The trapped charge density is determined by using the so-called electrostatic influence method based on the measurement, during and after the irradiation, of the influence and leakage currents using an arrangement adapted to the SEM. The experimental results reveal that the behaviour under irradiation of glass is entirely different from that of quartz. The trapped charges are found to be different, and the dependence of charging on the primary beam energy is discussed. The charging and discharging time constants have been determined accurately, and their evolution versus the mean electron penetration depth is qualitatively explained. Moreover, the role of secondary electron emission in the regulation mechanism of charging is underlined.

  5. Detecting beer intake by unique metabolite patterns

    DEFF Research Database (Denmark)

    Gürdeniz, Gözde; Jensen, Morten Georg; Meier, Sebastian

    2016-01-01

    representing raw materials and beer production as a qualitative biomarker of beer intake. In a randomized, crossover, single-blinded meal study (MSt1) 18 participants were given one at a time four different test beverages: strong, regular and non-alcoholic beers and a soft drink. Four participants were...... assigned to have two additional beers (MSt2). In addition to plasma and urine samples, test beverages, wort and hops extract were analyzed by UPLC-QTOF. A unique metabolite pattern reflecting beer metabolome, including metabolites derived from beer raw material (i.e. N-methyl tyramine sulfate and the sum...

  6. Photoelectron Spectroscopy of Singly and Doubly Charged Higher Fullerenes at Low Temperatures: C76-, C78-, C84- and C76(2-), C78(2-), C84(2-)

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xue B.; Woo, Hin-koon; Yang, Jie; Kappes, Manfred M.; Wang, Lai S.

    2007-12-06

    Photoelectron spectroscopy of vibrationally cold singly and doubly charged higher fullerenes, Cn– and Cn2– (n = 76, 78, and 84), has been investigated at several photon energies. Vibrationally resolved spectra are obtained for both the singly and doubly charged species and for n = 78 and 84 transitions from different isomers are also observed. The electron affinities (EA’s) of C76, C78, and C84 are accurately determined to be 2.975±0.010 eV for C76, 3.20±0.01 eV for C78(C2v), 3.165±0.010 eV for C78(D3), 3.23±0.02 for C78(C2v’), 3.185±0.010 eV for C84(D2), and 3.26±0.02 eV for C84(D2d). The second EA’s of the higher fullerenes, which represent the electronic stability of the doubly charged anions, are measured to be 0.325±0.010 eV for C76, 0.44±0.02 eV for C78(C2v), 0.53±0.02 eV for C78(D3), 0.60±0.04 eV for C78(C2v’), 0.615±0.010 eV for C84(D2d), and 0.82±0.01 eV for C84(D2). The spectra of the dianions are observed to be similar to that of the singly charged anions, suggesting that the charging induces relatively small structural changes to the fullerene cages. The onsite Coulomb repulsions in the doubly charged fullerenes are directly measured from the differences of the first and second EA’s and reveal strong correlation effects between the two extra electrons. The repulsive Coulomb barriers in the doubly charged fullerenes are estimated from the cutoff in the photoelectron spectra and are found to be consistent with estimates from an electrostatic model.

  7. Mass spectrometry-based metabolomics of single yeast cells.

    Science.gov (United States)

    Ibáñez, Alfredo J; Fagerer, Stephan R; Schmidt, Anna Mareike; Urban, Pawel L; Jefimovs, Konstantins; Geiger, Philipp; Dechant, Reinhard; Heinemann, Matthias; Zenobi, Renato

    2013-05-28

    Single-cell level measurements are necessary to characterize the intrinsic biological variability in a population of cells. In this study, we demonstrate that, with the microarrays for mass spectrometry platform, we are able to observe this variability. We monitor environmentally (2-deoxy-D-glucose) and genetically (ΔPFK2) perturbed Saccharomyces cerevisiae cells at the single-cell, few-cell, and population levels. Correlation plots between metabolites from the glycolytic pathway, as well as with the observed ATP/ADP ratio as a measure of cellular energy charge, give biological insight that is not accessible from population-level metabolomic data.

  8. Mean carrier transport properties and charge collection dynamics of single-crystal, natural type IIa diamonds from ion-induced conductivity measurements

    Energy Technology Data Exchange (ETDEWEB)

    Han, Sung Su [Univ. of California, Berkeley, CA (United States)

    1993-09-01

    Ion-induced conductivity has been used to investigate the detector characteristics of diamond detectors. Both integrated-charge, and time-resolved current measurements were performed to examine the mean carrier transport properties of diamond and the dynamics of charge collection under highly-localized and high-density excitation conditions. The integrated-charge measurements were conducted with a standard pulse-counting system with 241Am radioactivity as the excitation source for the detectors. The time-resolved current measurements were performed using a 70 GHz random sampling oscilloscope with the detectors incorporated into high-speed microstrip transmission lines and the excitation source for these measurements was an ion beam of either 5-MeV He+ or 10-MeV Si3+. The detectors used in both experiments can be described as metal-semiconductor-metal (MSM) devices where a volume of the detector material is sandwiched between two metal plates. A charge collection model was developed to interpret the integrated-charge measurements which enabled estimation of the energy required to produce an electron-hole pair (ϵdi) and the mean carrier transport properties in diamond, such as carrier mobility and lifetime, and the behavior of the electrical contacts to diamond.

  9. Detecting Beer Intake by Unique Metabolite Patterns.

    Science.gov (United States)

    Gürdeniz, Gözde; Jensen, Morten Georg; Meier, Sebastian; Bech, Lene; Lund, Erik; Dragsted, Lars Ove

    2016-12-02

    Evaluation of the health related effects of beer intake is hampered by the lack of accurate tools for assessing intakes (biomarkers). Therefore, we identified plasma and urine metabolites associated with recent beer intake by untargeted metabolomics and established a characteristic metabolite pattern representing raw materials and beer production as a qualitative biomarker of beer intake. In a randomized, crossover, single-blinded meal study (MSt1), 18 participants were given, one at a time, four different test beverages: strong, regular, and nonalcoholic beers and a soft drink. Four participants were assigned to have two additional beers (MSt2). In addition to plasma and urine samples, test beverages, wort, and hops extract were analyzed by UPLC-QTOF. A unique metabolite pattern reflecting beer metabolome, including metabolites derived from beer raw material (i.e., N-methyl tyramine sulfate and the sum of iso-α-acids and tricyclohumols) and the production process (i.e., pyro-glutamyl proline and 2-ethyl malate), was selected to establish a compliance biomarker model for detection of beer intake based on MSt1. The model predicted the MSt2 samples collected before and up to 12 h after beer intake correctly (AUC = 1). A biomarker model including four metabolites representing both beer raw materials and production steps provided a specific and accurate tool for measurement of beer consumption.

  10. Experimental Charge Density in an Oxidized Trinuclear Iron Complex using 15 K Synchrotron and 100 K Conventional Single-Crystal X-ray Diffraction

    International Nuclear Information System (INIS)

    Overgaard, J.; Larsen, F.; Timco, G.; Iversen, B.

    2009-01-01

    The experimental electron density distribution in a crystal consisting of the simplest conceivable trinuclear carboxylate-bridged iron-μ3-oxo dianion with two α-picolinium cations has been determined using both synchrotron (15 K) and conventional (100 K) X-ray diffraction data. The constituent trinuclear oxo-centered molecule consists of six 2-bridging formate groups between the iron pairs, while the axial ligand for all iron atoms is another formate group. The compound {(Fe3O(HCOO)6(HCOO)3)2-·H2O·2(α-CH3NC5H5)+}, ( 1) crystallizes in the monoclinic space group P21/m with charge assisted hydrogen bonds linking the α-picolinium cations to the trinuclear groups. The chemical bonding in the weakly asymmetric Fe3O-core of 1 has been examined through the use of the quantum theory of atoms in molecules, and in combination with experimental d-orbital populations, a significant electron sharing is observed between the Fe atoms and the central oxygen. The central oxygen exhibits clear sp2 hybridization, and the iron atoms have valence shell charge concentrations in all metal-ligand bond directions. The relative bond strengths are evaluated based upon the charge density distribution and found to be in accordance with the geometrical results. Integrated group charges follow expectations from formal chemical valences.

  11. Measurements of the differential cross section and charge asymmetry for inclusive pp →W (muupsilon) production with 8 TeV CMS data and CMS single muon trigger efficiency study

    Science.gov (United States)

    Ogul, Hasan

    This dissertation presents muon charge asymmetry, fiducial differential cross section and CMS single muon trigger efficiency measurements as a function of muon pseudorapidity for inclusive W→muupsilon events produced in proton-proton collisions at the LHC. The data were recorded by the CMS detector at a center-of-mass energy of 8 TeV and correspond to an integrated luminosity of 18.8 fb-1. Several comparisons are performed to cross-check the experimental results. Muon efficiency measurements are compared to estimated values from Monte Carlo simulations and reference values recommended by CMS physics object groups. The differential cross section and the charge asymmetry measurements are compared to theoretical predictions based on next-to-leading order and next-to-next-to-leading order QCD calculations with different PDF models. Inputs from the charge asymmetry and the differential cross section measurements for the determination of the next generation of PDF sets are expected to bring different predictions closer together and aid in reducing PDF uncertainties. The impact of the charge asymmetry on PDFs has been investigated by putting the asymmetry results into a QCD analysis at next-to-leading order and next-to-nextleading order with inclusive deep-inelastic scattering data from HERA. Significant improvement of the accuracy on the valence-quark distributions is observed. This measurement is recommended for more accurate constraints in future PDF determinations. More precise measurements of PDFs will improve LHC predictions.

  12. Charge preamplifier

    International Nuclear Information System (INIS)

    Chaminade, R.; Passerieux, J.P.

    1961-01-01

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

  13. Charging machine

    International Nuclear Information System (INIS)

    Medlin, J.B.

    1976-01-01

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

  14. Secondary metabolites from Ganoderma.

    Science.gov (United States)

    Baby, Sabulal; Johnson, Anil John; Govindan, Balaji

    2015-06-01

    Ganoderma is a genus of medicinal mushrooms. This review deals with secondary metabolites isolated from Ganoderma and their biological significance. Phytochemical studies over the last 40years led to the isolation of 431 secondary metabolites from various Ganoderma species. The major secondary compounds isolated are (a) C30 lanostanes (ganoderic acids), (b) C30 lanostanes (aldehydes, alcohols, esters, glycosides, lactones, ketones), (c) C27 lanostanes (lucidenic acids), (d) C27 lanostanes (alcohols, lactones, esters), (e) C24, C25 lanostanes (f) C30 pentacyclic triterpenes, (g) meroterpenoids, (h) farnesyl hydroquinones (meroterpenoids), (i) C15 sesquiterpenoids, (j) steroids, (k) alkaloids, (l) prenyl hydroquinone (m) benzofurans, (n) benzopyran-4-one derivatives and (o) benzenoid derivatives. Ganoderma lucidum is the species extensively studied for its secondary metabolites and biological activities. Ganoderma applanatum, Ganoderma colossum, Ganoderma sinense, Ganoderma cochlear, Ganoderma tsugae, Ganoderma amboinense, Ganoderma orbiforme, Ganoderma resinaceum, Ganoderma hainanense, Ganoderma concinna, Ganoderma pfeifferi, Ganoderma neo-japonicum, Ganoderma tropicum, Ganoderma australe, Ganoderma carnosum, Ganoderma fornicatum, Ganoderma lipsiense (synonym G. applanatum), Ganoderma mastoporum, Ganoderma theaecolum, Ganoderma boninense, Ganoderma capense and Ganoderma annulare are the other Ganoderma species subjected to phytochemical studies. Further phytochemical studies on Ganoderma could lead to the discovery of hitherto unknown biologically active secondary metabolites. Copyright © 2015 Elsevier Ltd. All rights reserved.

  15. Expansion of the scope of AOAC first action method 2012.25 - single-laboratory validation of triphenylmethane dye and leuco metabolite analysis in shrimp, tilapia, catfish, and salmon by LC-MS/MS

    Science.gov (United States)

    Prior to conducting a collaborative study of AOAC First Action 2012.25 LC-MS/MS analytical method for the determination of residues of three triphenylmethane dyes (malachite green, crystal violet, and brilliant green) and their metabolites (leucomalachite green and leucocrystal violet) in seafood, a...

  16. Terahertz spectra revealing the collective excitation mode in charge-density-wave single crystal LuFe{sub 2}O{sub 4}

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Xiumei; Jin, Zuanming; Lin, Xian; Ma, Guohong [Department of Physics, Shanghai University (China); Cheng, Zhenxiang [Institute for Superconducting and Electronic Materials, University of Wollongong, NSW (Australia); Balakrishnan, Geetha [Department of Physics, University of Warwick, Coventry (United Kingdom)

    2017-09-15

    A low-energy collective excitation mode in charge-ordered multiferroic LuFe{sub 2}O{sub 4} is reported via terahertz time-domain spectroscopy. Upon cooling from 300 to 40 K, the central resonance frequency showed a pronounced hardening from 0.85 to 1.15 THz. In analogy to the well-known low-energy optical properties of LuFe{sub 2}O{sub 4}, this emerging resonance was attributed to the charge-density-wave (CDW) collective excitations. By using the Drude-Lorentz model fitting, the CDW collective mode becomes increasingly damped with the increasing temperature. Furthermore, the kinks of the CDW collective mode at the magnetic transition temperature are analyzed, which indicate the coupling of spin order with electric polarization. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  17. CHARGE syndrome

    Directory of Open Access Journals (Sweden)

    Prasad Chitra

    2006-09-01

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

  18. Metabolite Damage and Metabolite Damage Control in Plants

    Energy Technology Data Exchange (ETDEWEB)

    Hanson, Andrew D. [Horticultural Sciences Department and; Henry, Christopher S. [Mathematics and Computer Science Division, Argonne National Laboratory, Argonne, Illinois 60439, email:; Computation Institute, University of Chicago, Chicago, Illinois 60637; Fiehn, Oliver [Genome Center, University of California, Davis, California 95616, email:; de Crécy-Lagard, Valérie [Microbiology and Cell Science Department, University of Florida, Gainesville, Florida 32611, email: ,

    2016-04-29

    It is increasingly clear that (a) many metabolites undergo spontaneous or enzyme-catalyzed side reactions in vivo, (b) the damaged metabolites formed by these reactions can be harmful, and (c) organisms have biochemical systems that limit the buildup of damaged metabolites. These damage-control systems either return a damaged molecule to its pristine state (metabolite repair) or convert harmful molecules to harmless ones (damage preemption). Because all organisms share a core set of metabolites that suffer the same chemical and enzymatic damage reactions, certain damage-control systems are widely conserved across the kingdoms of life. Relatively few damage reactions and damage-control systems are well known. Uncovering new damage reactions and identifying the corresponding damaged metabolites, damage-control genes, and enzymes demands a coordinated mix of chemistry, metabolomics, cheminformatics, biochemistry, and comparative genomics. This review illustrates the above points using examples from plants, which are at least as prone to metabolite damage as other organisms.

  19. Production of unusual dispiro metabolites in Pestalotiopsis virgatula endophyte cultures

    DEFF Research Database (Denmark)

    Kesting, Julie Regitze; Olsen, Lars; Stærk, Dan

    2011-01-01

    The endophytic fungus Pestalotiopsis virgatula, derived from the plant Terminalia chebula and previously found to produce a large excess of a single metabolite when grown in the minimal M1D medium, was induced to produce a variety of unusual metabolites by growing in potato dextrose broth medium....... Analysis of the fermentation medium extract was performed using an HPLC-PDA-MS-SPE-NMR hyphenated system, which led to the identification of a total of eight metabolites (1-8), six of which are new. Most of the metabolites are structurally related and are derivatives of benzo[c]oxepin, rare among natural...... supported by time-dependent density-functional theory calculations (B3LYP/TZVP level). This work demonstrates that a largely complete structure elucidation of numerous metabolites present in a raw fermentation medium extract can be performed by the HPLC-SPE-NMR technique using only a small amount...

  20. Field calculations, single-particle tracking, and beam dynamics with space charge in the electron lens for the Fermilab Integrable Optics Test Accelerator

    Energy Technology Data Exchange (ETDEWEB)

    Noll, Daniel [Goethe Univ., Frankfurt (Germany); Stancari, Giulio [Fermi National Accelerator Lab. (FNAL), Batavia, IL (United States)

    2015-11-17

    An electron lens is planned for the Fermilab Integrable Optics Test Accelerator as a nonlinear element for integrable dynamics, as an electron cooler, and as an electron trap to study space-charge compensation in rings. We present the main design principles and constraints for nonlinear integrable optics. A magnetic configuration of the solenoids and of the toroidal section is laid out. Singleparticle tracking is used to optimize the electron path. Electron beam dynamics at high intensity is calculated with a particle-in-cell code to estimate current limits, profile distortions, and the effects on the circulating beam. In the conclusions, we summarize the main findings and list directions for further work.

  1. Single-reversal charge in the β10-β11 receptor-binding loop of Bacillus thuringiensis Cry4Aa and Cry4Ba toxins reflects their different toxicity against Culex spp. larvae.

    Science.gov (United States)

    Visitsattapongse, Sarinporn; Sakdee, Somsri; Leetacheewa, Somphob; Angsuthanasombat, Chanan

    2014-07-25

    Bacillus thuringiensis Cry4Aa toxin was previously shown to be much more toxic to Culex mosquito-larvae than its closely related toxin - Cry4Ba, conceivably due to their sequence differences within the β10-β11 receptor-binding loop. Here, single-Ala substitutions of five residues (Pro(510), Thr(512), Tyr(513), Lys(514) and Thr(515)) within the Cry4Aa β10-β11 loop revealed that only Lys(514) corresponding to the relative position of Cry4Ba-Asp(454) is crucial for toxicity against Culex quinquefasciatus larvae. Interestingly, charge-reversal mutations at Cry4Ba-Asp(454) (D454R and D454K) revealed a marked increase in toxicity against such less-susceptible larvae. In situ binding analyses revealed that both Cry4Ba-D454R and D454K mutants exhibited a significant increase in binding to apical microvilli of Culex larval midguts, albeit at lower-binding activity when compared with Cry4Aa. Altogether, our present data suggest that a positively charged side-chain near the tip of the β10-β11 loop plays a critical role in determining target specificity of Cry4Aa against Culex spp., and hence a great increase in the Culex larval toxicity of Cry4Ba was obtained toward an opposite-charge conversion of the corresponding Asp(454). Copyright © 2014 Elsevier Inc. All rights reserved.

  2. Measurement of Absolute Single and Double Charge Exchange Cross Sections for Si(7–10)+ at 0.88–2.50 KeV/u Impacting He and H2

    Science.gov (United States)

    Moradmand, A.; El Ghazaly, M. O. A.; Mahaptra, D. P.; Chutjian, A.

    2018-01-01

    First measurements are reported for total, absolute, single, and double charge-exchange (CE) cross sections for Si(7–10)+ ions in the solar wind (SW), colliding with the prevalent astrophysical species H2 and He found in comets, the interplanetary medium, and planetary atmospheres. Measurements are in the energy range 0.88–2.50 keV/u, corresponding to the energies of the “fast” and “slow” ion components of the SW. Limited agreement is found with single-exchange results calculated in the classical over-the-barrier model. These CE data are useful for understanding, in laboratory and astrophysical plasmas, photon emissions in the X-ray to visible energy range arising from resulting ion-stabilization steps.

  3. Search for top quark partners with charge 5/3 in the single-lepton final state at $\\sqrt{s}=13~\\mathrm{TeV}$

    CERN Document Server

    CMS Collaboration

    2017-01-01

    A search for the pair production of heavy partners of the top quark with an exotic electric charge 5/3 ($X_{5/3}$) decaying into a W boson and a top quark is presented. The search uses data collected in 2016 in proton-proton collisions at a center-of-mass energy of $13~\\mathrm{TeV}$ with the CMS detector at the CERN LHC, corresponding to an integrated luminosity of $35.9~\\mathrm{fb}^{-1}$. Final states considered include one electron or muon, missing transverse energy, and four or more jets. The $X_{5/3}$ masses with right-handed (left-handed) couplings below 1.32 (1.30) $\\mathrm{TeV}$ are excluded at $95\\%$ confidence level.

  4. Influence of the single EGR valve usability on development of the charge directed to individual cylinders of an internal combustion engine

    Directory of Open Access Journals (Sweden)

    Krakowian Konrad

    2017-01-01

    Full Text Available Exhaust gas recirculation systems (EGR, aside to a catalytic converters, are nowadays widely used in piston internal combustion engines to reduce nitrogen oxides (NOx in the exhaust gas. They are characterized in that a portion of exhaust gases from the exhaust manifold is recirculated (via a condenser, and directed to a particular valve. The valve, depending on the current engine load and speed, doses the appropriate amount of exhaust gas into the exhaust manifold. Moreover, its location has a significant impact on the diverse formation of nitrogen oxides and fumes smokiness from the individual cylinders of the engine, which is a result of uneven propagation of exhaust gas into the channels of the intake manifold. This article contains the results of numerical characterized charges formed in symmetrical intake manifold with a centrally–placed EGR valve. Simulations were performed for the original intake system derived from the two-liter, turbocharged VW diesel engine.

  5. Influence of the single EGR valve usability on development of the charge directed to individual cylinders of an internal combustion engine

    Science.gov (United States)

    Krakowian, Konrad; Kaźmierczak, Andrzej; Górniak, Aleksander; Wróbel, Radosław

    2017-11-01

    Exhaust gas recirculation systems (EGR), aside to a catalytic converters, are nowadays widely used in piston internal combustion engines to reduce nitrogen oxides (NOx) in the exhaust gas. They are characterized in that a portion of exhaust gases from the exhaust manifold is recirculated (via a condenser), and directed to a particular valve. The valve, depending on the current engine load and speed, doses the appropriate amount of exhaust gas into the exhaust manifold. Moreover, its location has a significant impact on the diverse formation of nitrogen oxides and fumes smokiness from the individual cylinders of the engine, which is a result of uneven propagation of exhaust gas into the channels of the intake manifold. This article contains the results of numerical characterized charges formed in symmetrical intake manifold with a centrally-placed EGR valve. Simulations were performed for the original intake system derived from the two-liter, turbocharged VW diesel engine.

  6. Charge density analysis of SiO sub 2 under pressures over 50 GPa using a new diamond anvil cell for single-crystal structure analysis

    CERN Document Server

    Yamanaka, T; Komatsu, Y; Sumiya, H

    2002-01-01

    Single-crystal structure analysis of SiO sub 2 stishovite, (rutile type, P4 sub 2 /mnm z = 2) was carried out using the newly devised diamond anvil cell. The electron-density distribution was investigated at high pressures up to 50 GPa using synchrotron radiation at SPring-8 and a laboratory x-ray source generator of Ag K alpha rotating anode generator. Using large diamond crystal windows instead of beryllium for the cell has several advantages for single-crystal diffraction study supplying the large Q-value.

  7. Production of Metabolites

    DEFF Research Database (Denmark)

    2011-01-01

    A recombinant micro-organism such as Saccharomyces cerevisiae which produces and excretes into culture medium a stilbenoid metabolite product when grown under stilbenoid production conditions, which expresses in above native levels a ABC transporter which transports said stilbenoid out of said...... micro-organism cells to the culture medium. The genome of the Saccharomyces cerevisiae produces an auxotrophic phenotype which is compensated by a plasmid which also expresses one or more of said enzymes constituting said metabolic pathway producing said stilbenoid, an expression product of the plasmid...

  8. Mutagenic azide metabolite is azidoalanine

    International Nuclear Information System (INIS)

    Owais, W.M.; Rosichan, J.L.; Ronald, R.C.; Kleinhofs, A.; Nilan, R.A.

    1981-01-01

    Sodium axide produces high mutation rates in a number of species. Azide mutagenicity is mediated through a metabolite in barley and bacteria. Many studies showed that azide affects the L-cysteine biosynthesis pathway. Cell-free extracts of Salmonella typhimurium convert azide and O-acetylserine to the mutagenic metabolite. O-acetylserine sulfhydrylase was identified as the enzyme responsible for the metabolite biosynthesis. To confirm the conclusion that the azide metabolite is formed through the β-substitution pathway of L-cysteine, we radioactively labeled the azide metabolite using 14 C-labeled precursors. Moreover, the mutagenic azide metabolite was purified and identified as azidoalanine based on mass spectroscopy and elemental analysis. 26 refs., 3 figs., 1 tab

  9. Charge Breeding of Radioactive Ions

    CERN Document Server

    Wenander, F J C

    2013-01-01

    Charge breeding is a technique to increase the charge state of ions, in many cases radioactive ions. The singly charged radioactive ions, produced in an isotope separator on-line facility, and extracted with a low kinetic energy of some tens of keV, are injected into a charge breeder, where the charge state is increased to Q. The transformed ions are either directed towards a dedicated experiment requiring highly charged ions, or post-accelerated to higher beam energies. In this paper the physics processes involved in the production of highly charged ions will be introduced, and the injection and extraction beam parameters of the charge breeder defined. A description of the three main charge-breeding methods is given, namely: electron stripping in gas jet or foil; external ion injection into an electron-beam ion source/trap (EBIS/T); and external ion injection into an electron cyclotron resonance ion source (ECRIS). In addition, some preparatory devices for charge breeding and practical beam delivery aspects ...

  10. [Antiviral properties of basidiomycetes metabolites].

    Science.gov (United States)

    Avtonomova, A V; Krasnopolskaya, L M

    2014-01-01

    The data on the antiviral action of the Ganoderma lucidum, Lentinus edodes, Grifola frondosa, Agaricus brasiliensis and other basidiomycetes metabolites are summurized. The metabolites of these species of basidiomycetes exhibit a direct antiviral effect on herpes simplex virus types I and II, human immunodeficiency virus (HIV), hepatitis B virus, vesicular stomatitis virus, influenza virus, Epstein-Barr virus, and others. Moreover, metabolites of basidiomycetes increased antiviral immunity.

  11. Supercritical fluid extraction (SFE) of ketamine metabolites from dried urine and on-line quantification by supercritical fluid chromatography and single mass detection (on-line SFE-SFC-MS).

    Science.gov (United States)

    Hofstetter, Robert; Fassauer, Georg M; Link, Andreas

    2018-02-15

    On-line solid-phase supercritical fluid extraction (SFE) and chromatography (SFC) coupled to mass spectrometry (MS) has been evaluated for its usefulness with respect to metabolic profiling and pharmacological investigations of ketamine in humans. The aim of this study was to develop and validate a rapid, highly selective and sensitive SFE-SFC-MS method for the quantification of ketamine and its metabolites in miniature amounts in human urine excluding liquid-liquid extraction (LLE). Several conditions were optimized systematically following the requirements of the European Medicines Agency: selectivity, carry-over, calibration curve parameters (LLOQ, range and linearity), within- and between-run accuracy and precision, dilution integrity, matrix effect, and stability. The method, which required a relatively small volume of human urine (20 μL per sample), was validated for pharmacologically and toxicologically relevant concentrations ranging from 25.0 to 1000 ng/mL (r 2  > 0.995). The lower limit of quantification (LLOQ) for all compounds was found to be as low as 0.5 ng. In addition, stability of analytes during removal of water from the urine samples using different conditions (filter paper or ISOLUTE® HM-N) was studied. In conclusion, the method developed in this study can be successfully applied to studies of ketamine metabolites in humans, and may pave the way for routine application of on-line SFE-SFC-MS in clinical investigations. Copyright © 2018 Elsevier B.V. All rights reserved.

  12. The density functional study of electronic structure, electronic charge density, linear and nonlinear optical properties of single crystal alpha-LiAlTe{sub 2}

    Energy Technology Data Exchange (ETDEWEB)

    Reshak, A.H. [New Technologies-Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Khan, Wilayat, E-mail: walayat76@gmail.com [New Technologies-Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic)

    2014-04-01

    Highlights: • FP-LAPW technique is used for calculating the electronic structure. • The band structure shows that the calculated compound is semiconductor. • The complex dielectric function has been calculated. • Nonlinear optical properties has also been calculated. • This compound can be used for molecular engineering of the crystals. - Abstract: Self-consistent calculations is performed using the full potential linear augmented plane wave (FP-LAPW) technique based on density functional theory (DFT) to investigate the electronic band structure, density of states, electronic charge density, linear and non-linear optical properties of α-LiAlTe{sub 2} compound having tetragonal symmetry with space group I4{sup ¯}2d. The electronic structure are calculated using the Ceperley Alder local density approach (CA-LDA), Perdew Burke and Ernzerhof generalize gradient approach (PBE-GGA), Engel–Vosko generalize gradient approach (EVGGA) and modified Becke Johnson approach (mBJ). Band structure calculations of (α-LiAlTe{sub 2}) depict semiconducting nature with direct band gap of 2.35 eV (LDA), 2.48 eV (GGA), 3.05 eV (EVGGA) and 3.13 eV (mBJ), which is comparable to experimental value. The calculated electronic charge density show ionic interaction between Te and Li atoms and polar covalent interaction between Al and Te atoms. Some optical susceptibilities like dielectric constants, refractive index, extension co-efficient, reflectivity and energy loss function have been calculated and analyzed on the basis of electronic structure. The compound α-LiAlTe{sub 2} provides a considerable negative value of birefringence of −0.01. Any anisotropy observed in the linear optical properties which are in favor to enhance the nonlinear optical properties. The symbol χ{sub abc}{sup (2)}(ω) represents the second order nonlinear optical susceptibilities, possess six non-zero components in this symmetry (tetragonal), called: 1 2 3, 2 1 3, 2 3 1, 1 3 2, 3 1 2 and 3 2 1

  13. Luminescence and charge trapping in Cs.sub.2./sub.HfCl.sub.6./sub. single crystals: optical and magnetic resonance spectroscopy study

    Czech Academy of Sciences Publication Activity Database

    Král, Robert; Babin, Vladimir; Mihóková, Eva; Buryi, Maksym; Laguta, Valentyn; Nitsch, Karel; Nikl, Martin

    2017-01-01

    Roč. 121, č. 22 (2017), s. 12375-12382 ISSN 1932-7447 R&D Projects: GA MŠk LO1409; GA ČR GA17-09933S Institutional support: RVO:68378271 Keywords : Cs2HfCl6 * single crystal * luminescence * temperature dependence * EPR spectroscopy Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 4.536, year: 2016

  14. Measurement of the single top quark production cross section and |Vtb| in events with one charged lepton, large missing transverse energy, and jets at CDF.

    Science.gov (United States)

    Aaltonen, T; Amerio, S; Amidei, D; Anastassov, A; Annovi, A; Antos, J; Apollinari, G; Appel, J A; Arisawa, T; Artikov, A; Asaadi, J; Ashmanskas, W; Auerbach, B; Aurisano, A; Azfar, F; Badgett, W; Bae, T; Barbaro-Galtieri, A; Barnes, V E; Barnett, B A; Barria, P; Bartos, P; Bauce, M; Bedeschi, F; Behari, S; Bellettini, G; Bellinger, J; Benjamin, D; Beretvas, A; Bhatti, A; Bland, K R; Blumenfeld, B; Bocci, A; Bodek, A; Bortoletto, D; Boudreau, J; Boveia, A; Brigliadori, L; Bromberg, C; Brucken, E; Budagov, J; Budd, H S; Burkett, K; Busetto, G; Bussey, P; Butti, P; Buzatu, A; Calamba, A; Camarda, S; Campanelli, M; Canelli, F; Carls, B; Carlsmith, D; Carosi, R; Carrillo, S; Casal, B; Casarsa, M; Castro, A; Catastini, P; Cauz, D; Cavaliere, V; Cerri, A; Cerrito, L; Chen, Y C; Chertok, M; Chiarelli, G; Chlachidze, G; Cho, K; Chokheli, D; Clark, A; Clarke, C; Convery, M E; Conway, J; Corbo, M; Cordelli, M; Cox, C A; Cox, D J; Cremonesi, M; Cruz, D; Cuevas, J; Culbertson, R; d'Ascenzo, N; Datta, M; de Barbaro, P; Demortier, L; Deninno, M; D'Errico, M; Devoto, F; Di Canto, A; Di Ruzza, B; Dittmann, J R; Donati, S; D'Onofrio, M; Dorigo, M; Driutti, A; Ebina, K; Edgar, R; Elagin, A; Erbacher, R; Errede, S; Esham, B; Farrington, S; Fernández Ramos, J P; Field, R; Flanagan, G; Forrest, R; Franklin, M; Freeman, J C; Frisch, H; Funakoshi, Y; Galloni, C; Garfinkel, A F; Garosi, P; Gerberich, H; Gerchtein, E; Giagu, S; Giakoumopoulou, V; Gibson, K; Ginsburg, C M; Giokaris, N; Giromini, P; Glagolev, V; Glenzinski, D; Gold, M; Goldin, D; Golossanov, A; Gomez, G; Gomez-Ceballos, G; Goncharov, M; González López, O; Gorelov, I; Goshaw, A T; Goulianos, K; Gramellini, E; Grosso-Pilcher, C; Group, R C; Guimaraes da Costa, J; Hahn, S R; Han, J Y; Happacher, F; Hara, K; Hare, M; Harr, R F; Harrington-Taber, T; Hatakeyama, K; Hays, C; Heinrich, J; Herndon, M; Hirschbuehl, D; Hocker, A; Hong, Z; Hopkins, W; Hou, S; Hughes, R E; Husemann, U; Hussein, M; Huston, J; Introzzi, G; Iori, M; Ivanov, A; James, E; Jang, D; Jayatilaka, B; Jeon, E J; Jindariani, S; Jones, M; Joo, K K; Jun, S Y; Junk, T R; Kambeitz, M; Kamon, T; Karchin, P E; Kasmi, A; Kato, Y; Ketchum, W; Keung, J; Kilminster, B; Kim, D H; Kim, H S; Kim, J E; Kim, M J; Kim, S H; Kim, S B; Kim, Y J; Kim, Y K; Kimura, N; Kirby, M; Knoepfel, K; Kondo, K; Kong, D J; Konigsberg, J; Kotwal, A V; Kreps, M; Kroll, J; Kruse, M; Kuhr, T; Kurata, M; Laasanen, A T; Lammel, S; Lancaster, M; Lannon, K; Latino, G; Lee, H S; Lee, J S; Leo, S; Leone, S; Lewis, J D; Limosani, A; Lipeles, E; Lister, A; Liu, H; Liu, Q; Liu, T; Lockwitz, S; Loginov, A; Lucchesi, D; Lucà, A; Lueck, J; Lujan, P; Lukens, P; Lungu, G; Lys, J; Lysak, R; Madrak, R; Maestro, P; Malik, S; Manca, G; Manousakis-Katsikakis, A; Marchese, L; Margaroli, F; Marino, P; Matera, K; Mattson, M E; Mazzacane, A; Mazzanti, P; McNulty, R; Mehta, A; Mehtala, P; Mesropian, C; Miao, T; Mietlicki, D; Mitra, A; Miyake, H; Moed, S; Moggi, N; Moon, C S; Moore, R; Morello, M J; Mukherjee, A; Muller, Th; Murat, P; Mussini, M; Nachtman, J; Nagai, Y; Naganoma, J; Nakano, I; Napier, A; Nett, J; Neu, C; Nigmanov, T; Nodulman, L; Noh, S Y; Norniella, O; Oakes, L; Oh, S H; Oh, Y D; Oksuzian, I; Okusawa, T; Orava, R; Ortolan, L; Pagliarone, C; Palencia, E; Palni, P; Papadimitriou, V; Parker, W; Pauletta, G; Paulini, M; Paus, C; Phillips, T J; Pianori, E; Pilot, J; Pitts, K; Plager, C; Pondrom, L; Poprocki, S; Potamianos, K; Pranko, A; Prokoshin, F; Ptohos, F; Punzi, G; Redondo Fernández, I; Renton, P; Rescigno, M; Rimondi, F; Ristori, L; Robson, A; Rodriguez, T; Rolli, S; Ronzani, M; Roser, R; Rosner, J L; Ruffini, F; Ruiz, A; Russ, J; Rusu, V; Sakumoto, W K; Sakurai, Y; Santi, L; Sato, K; Saveliev, V; Savoy-Navarro, A; Schlabach, P; Schmidt, E E; Schwarz, T; Scodellaro, L; Scuri, F; Seidel, S; Seiya, Y; Semenov, A; Sforza, F; Shalhout, S Z; Shears, T; Shepard, P F; Shimojima, M; Shochet, M; Shreyber-Tecker, I; Simonenko, A; Sliwa, K; Smith, J R; Snider, F D; Song, H; Sorin, V; St Denis, R; Stancari, M; Stentz, D; Strologas, J; Sudo, Y; Sukhanov, A; Suslov, I; Takemasa, K; Takeuchi, Y; Tang, J; Tecchio, M; Teng, P K; Thom, J; Thomson, E; Thukral, V; Toback, D; Tokar, S; Tollefson, K; Tomura, T; Tonelli, D; Torre, S; Torretta, D; Totaro, P; Trovato, M; Ukegawa, F; Uozumi, S; Vázquez, F; Velev, G; Vellidis, C; Vernieri, C; Vidal, M; Vilar, R; Vizán, J; Vogel, M; Volpi, G; Wagner, P; Wallny, R; Wang, S M; Waters, D; Wester, W C; Whiteson, D; Wicklund, A B; Wilbur, S; Williams, H H; Wilson, J S; Wilson, P; Winer, B L; Wittich, P; Wolbers, S; Wolfe, H; Wright, T; Wu, X; Wu, Z; Yamamoto, K; Yamato, D; Yang, T; Yang, U K; Yang, Y C; Yao, W-M; Yeh, G P; Yi, K; Yoh, J; Yorita, K; Yoshida, T; Yu, G B; Yu, I; Zanetti, A M; Zeng, Y; Zhou, C; Zucchelli, S

    2014-12-31

    We report a measurement of single top quark production in proton-antiproton collisions at a center-of-mass energy of sqrt[s]=1.96  TeV using a data set corresponding to 7.5  fb(-1) of integrated luminosity collected by the Collider Detector at Fermilab. We select events consistent with the single top quark decay process t→Wb→ℓνb by requiring the presence of an electron or muon, a large imbalance of transverse momentum indicating the presence of a neutrino, and two or three jets including at least one originating from a bottom quark. An artificial neural network is used to discriminate the signal from backgrounds. We measure a single top quark production cross section of 3.04(-0.53)(+0.57)  pb and set a lower limit on the magnitude of the coupling between the top quark and bottom quark |Vtb|>0.78 at the 95% credibility level.

  15. The role of radiative de-excitation in the neutralization process of highly charged ions interacting with a single layer of graphene

    Science.gov (United States)

    Schwestka, J.; Wilhelm, R. A.; Gruber, E.; Heller, R.; Kozubek, R.; Schleberger, M.; Facsko, S.; Aumayr, F.

    2018-05-01

    X-ray emission of slow (graphene. To discriminate against X-ray emission originating from the graphene's support grid a coincidence technique is used. X-ray emission of 75 keV Ar17+ and Ar18+ ions with either one or two K-shell vacancies is recorded. Using a windowless Bruker XFlash detector allows us to measure additionally Ar KLL and KLM Auger electrons and determine the branching ratio of radiative vs. non-radiative decay of Ar K-shell holes. Furthermore, X-ray spectra for 100 keV Xe22+-Xe35+ ions are compared, showing a broad M-line peak for all cases, where M-shell vacancies are present. All these peaks are accompanied by emission lines at still higher energies indicating the presence of a hollow atom during X-ray decay. We report a linear shift of the main M-line peak to higher energies for increasing incident charge state, i.e. increasing number of M-shell holes.

  16. Metabolites of alectinib in human: their identification and pharmacological activity

    Directory of Open Access Journals (Sweden)

    Mika Sato-Nakai

    2017-07-01

    Full Text Available Two metabolites (M4 and M1b in plasma and four metabolites (M4, M6, M1a and M1b in faeces were detected through the human ADME study following a single oral administration of [14C]alectinib, a small-molecule anaplastic lymphoma kinase inhibitor, to healthy subjects. In the present study, M1a and M1b, which chemical structures had not been identified prior to the human ADME study, were identified as isomers of a carboxylate metabolite oxidatively cleaved at the morpholine ring. In faeces, M4 and M1b were the main metabolites, which shows that the biotransformation to M4 and M1b represents two main metabolic pathways for alectinib. In plasma, M4 was a major metabolite and M1b was a minor metabolite. The contribution to in vivo pharmacological activity of these circulating metabolites was assessed from their in vitro pharmacological activity and plasma protein binding. M4 had a similar cancer cell growth inhibitory activity and plasma protein binding to that of alectinib, suggesting its contribution to the antitumor activity of alectinib, whereas the pharmacological activity of M1b was insignificant.

  17. Influence of the Resonant Electronic Transition on the Intensity of the Raman Radial Breathing Mode of Single Walled Carbon Nanotubes during Electrochemical Charging

    Czech Academy of Sciences Publication Activity Database

    Kalbáč, Martin; Kavan, Ladislav

    2009-01-01

    Roč. 113, č. 37 (2009), s. 16408-16413 ISSN 1932-7447 R&D Projects: GA ČR GC203/07/J067; GA AV ČR IAA400400911; GA AV ČR IAA400400804; GA AV ČR KAN200100801; GA MŠk LC510 Institutional research plan: CEZ:AV0Z40400503 Keywords : single-walled carbon nanotubes * radial breathing mode * electrochemistry Subject RIV: CG - Electrochemistry Impact factor: 4.224, year: 2009

  18. Azimuthal transverse single-spin asymmetries of inclusive jets and charged pions within jets from polarized-proton collisions at √{s }=500 GeV

    Science.gov (United States)

    Adamczyk, L.; Adams, J. R.; Adkins, J. K.; Agakishiev, G.; Aggarwal, M. M.; Ahammed, Z.; Ajitanand, N. N.; Alekseev, I.; Anderson, D. M.; Aoyama, R.; Aparin, A.; Arkhipkin, D.; Aschenauer, E. C.; Ashraf, M. U.; Attri, A.; Averichev, G. S.; Bai, X.; Bairathi, V.; Barish, K.; Behera, A.; Bellwied, R.; Bhasin, A.; Bhati, A. K.; Bhattarai, P.; Bielcik, J.; Bielcikova, J.; Bland, L. C.; Bordyuzhin, I. G.; Bouchet, J.; Brandenburg, J. D.; Brandin, A. V.; Brown, D.; Bryslawskyj, J.; Bunzarov, I.; Butterworth, J.; Caines, H.; Calderón de la Barca Sánchez, M.; Campbell, J. M.; Cebra, D.; Chakaberia, I.; Chaloupka, P.; Chang, Z.; Chankova-Bunzarova, N.; Chatterjee, A.; Chattopadhyay, S.; Chen, X.; Chen, X.; Chen, J. H.; Cheng, J.; Cherney, M.; Christie, W.; Contin, G.; Crawford, H. J.; Das, S.; Dedovich, T. G.; Deng, J.; Deppner, I. M.; Derevschikov, A. A.; Didenko, L.; Dilks, C.; Dong, X.; Drachenberg, J. L.; Draper, J. E.; Dunlop, J. C.; Efimov, L. G.; Elsey, N.; Engelage, J.; Eppley, G.; Esha, R.; Esumi, S.; Evdokimov, O.; Ewigleben, J.; Eyser, O.; Fatemi, R.; Fazio, S.; Federic, P.; Federicova, P.; Fedorisin, J.; Feng, Z.; Filip, P.; Finch, E.; Fisyak, Y.; Flores, C. E.; Fujita, J.; Fulek, L.; Gagliardi, C. A.; Geurts, F.; Gibson, A.; Girard, M.; Grosnick, D.; Gunarathne, D. S.; Guo, Y.; Gupta, A.; Guryn, W.; Hamad, A. I.; Hamed, A.; Harlenderova, A.; Harris, J. W.; He, L.; Heppelmann, S.; Heppelmann, S.; Herrmann, N.; Hirsch, A.; Horvat, S.; Huang, B.; Huang, T.; Huang, X.; Huang, H. Z.; Humanic, T. J.; Huo, P.; Igo, G.; Jacobs, W. W.; Jentsch, A.; Jia, J.; Jiang, K.; Jowzaee, S.; Judd, E. G.; Kabana, S.; Kalinkin, D.; Kang, K.; Kapukchyan, D.; Kauder, K.; Ke, H. W.; Keane, D.; Kechechyan, A.; Khan, Z.; Kikoła, D. P.; Kim, C.; Kisel, I.; Kisiel, A.; Kochenda, L.; Kocmanek, M.; Kollegger, T.; Kosarzewski, L. K.; Kraishan, A. F.; Krauth, L.; Kravtsov, P.; Krueger, K.; Kulathunga, N.; Kumar, L.; Kvapil, J.; Kwasizur, J. H.; Lacey, R.; Landgraf, J. M.; Landry, K. D.; Lauret, J.; Lebedev, A.; Lednicky, R.; Lee, J. H.; Li, X.; Li, W.; Li, Y.; Li, C.; Lidrych, J.; Lin, T.; Lisa, M. A.; Liu, F.; Liu, P.; Liu, Y.; Liu, H.; Ljubicic, T.; Llope, W. J.; Lomnitz, M.; Longacre, R. S.; Luo, X.; Luo, S.; Ma, G. L.; Ma, L.; Ma, R.; Ma, Y. G.; Magdy, N.; Majka, R.; Mallick, D.; Margetis, S.; Markert, C.; Matis, H. S.; Mayes, D.; Meehan, K.; Mei, J. C.; Miller, Z. W.; Minaev, N. G.; Mioduszewski, S.; Mishra, D.; Mizuno, S.; Mohanty, B.; Mondal, M. M.; Morozov, D. A.; Mustafa, M. K.; Nasim, Md.; Nayak, T. K.; Nelson, J. M.; Nemes, D. B.; Nie, M.; Nigmatkulov, G.; Niida, T.; Nogach, L. V.; Nonaka, T.; Nurushev, S. B.; Odyniec, G.; Ogawa, A.; Oh, K.; Okorokov, V. A.; Olvitt, D.; Page, B. S.; Pak, R.; Pandit, Y.; Panebratsev, Y.; Pawlik, B.; Pei, H.; Perkins, C.; Pluta, J.; Poniatowska, K.; Porter, J.; Posik, M.; Pruthi, N. K.; Przybycien, M.; Putschke, J.; Quintero, A.; Ramachandran, S.; Ray, R. L.; Reed, R.; Rehbein, M. J.; Ritter, H. G.; Roberts, J. B.; Rogachevskiy, O. V.; Romero, J. L.; Roth, J. D.; Ruan, L.; Rusnak, J.; Rusnakova, O.; Sahoo, N. R.; Sahu, P. K.; Salur, S.; Sandweiss, J.; Saur, M.; Schambach, J.; Schmah, A. M.; Schmidke, W. B.; Schmitz, N.; Schweid, B. R.; Seger, J.; Sergeeva, M.; Seto, R.; Seyboth, P.; Shah, N.; Shahaliev, E.; Shanmuganathan, P. V.; Shao, M.; Shen, W. Q.; Shi, S. S.; Shi, Z.; Shou, Q. Y.; Sichtermann, E. P.; Sikora, R.; Simko, M.; Singha, S.; Skoby, M. J.; Smirnov, N.; Smirnov, D.; Solyst, W.; Sorensen, P.; Spinka, H. M.; Srivastava, B.; Stanislaus, T. D. S.; Stewart, D. J.; Strikhanov, M.; Stringfellow, B.; Suaide, A. A. P.; Sugiura, T.; Sumbera, M.; Summa, B.; Sun, Y.; Sun, X.; Sun, X. M.; Surrow, B.; Svirida, D. N.; Tang, A. H.; Tang, Z.; Taranenko, A.; Tarnowsky, T.; Tawfik, A.; Thäder, J.; Thomas, J. H.; Timmins, A. R.; Tlusty, D.; Todoroki, T.; Tokarev, M.; Trentalange, S.; Tribble, R. E.; Tribedy, P.; Tripathy, S. K.; Trzeciak, B. A.; Tsai, O. D.; Ullrich, T.; Underwood, D. G.; Upsal, I.; Van Buren, G.; van Nieuwenhuizen, G.; Vasiliev, A. N.; Videbæk, F.; Vokal, S.; Voloshin, S. A.; Vossen, A.; Wang, G.; Wang, Y.; Wang, F.; Wang, Y.; Webb, G.; Webb, J. C.; Wen, L.; Westfall, G. D.; Wieman, H.; Wissink, S. W.; Witt, R.; Wu, Y.; Xiao, Z. G.; Xie, G.; Xie, W.; Xu, Y. F.; Xu, J.; Xu, Q. H.; Xu, N.; Xu, Z.; Yang, S.; Yang, Y.; Yang, C.; Yang, Q.; Ye, Z.; Ye, Z.; Yi, L.; Yip, K.; Yoo, I.-K.; Yu, N.; Zbroszczyk, H.; Zha, W.; Zhang, Z.; Zhang, J.; Zhang, S.; Zhang, S.; Zhang, J.; Zhang, Y.; Zhang, X. P.; Zhang, J. B.; Zhao, J.; Zhong, C.; Zhou, L.; Zhou, C.; Zhu, X.; Zhu, Z.; Zyzak, M.; STAR Collaboration

    2018-02-01

    We report the first measurements of transverse single-spin asymmetries for inclusive jet and jet+π± production at midrapidity from transversely polarized proton-proton collisions at √{s }=500 GeV . The data were collected in 2011 with the STAR detector sampled from 23 pb-1 integrated luminosity with an average beam polarization of 53%. Asymmetries are reported for jets with transverse momenta 6 single-spin asymmetry, sensitive to twist-3 initial-state quark-gluon correlators; the Collins asymmetry, sensitive to quark transversity coupled to the polarized Collins fragmentation function; and the first measurement of the "Collins-like" asymmetry, sensitive to linearly polarized gluons. Within the present statistical precision, inclusive-jet and Collins-like asymmetries are small, with the latter allowing the first experimental constraints on gluon linear polarization in a polarized proton. At higher values of jet transverse momenta, we observe the first nonzero Collins asymmetries in polarized-proton collisions, with a statistical significance of greater than 5 σ . The results span a range of x similar to results from semi-inclusive deep-inelastic scattering but at much higher Q2. The Collins results enable tests of universality and factorization breaking in the transverse momentum-dependent formulation of perturbative quantum chromodynamics.

  19. Secondary metabolites from bromeliaceae family

    OpenAIRE

    Manetti, Liliana Maria; Delaporte, Rosemeres Horwat; Laverde Jr., Antonio

    2009-01-01

    This review describes aspects of the Bromeliaceae family dealing the traditional applications, biological activities and distribution of secondary metabolites in distinct subfamilies. Some species are used with medicinal purposed in the treatment of respiratory, diabetes or inflammation diseases, and gastrointestinal disorders. Special emphasis on cycloartane triterpenoids and flavonoids, typical metabolites of this family, are presented. Bromeliaceae is unique amongst the monocotyledons in t...

  20. Immune regulation by microbiome metabolites.

    Science.gov (United States)

    Kim, Chang H

    2018-03-22

    Commensal microbes and the host immune system have been co-evolved for mutual regulation. Microbes regulate the host immune system, in part, by producing metabolites. A mounting body of evidence indicates that diverse microbial metabolites profoundly regulate the immune system via host receptors and other target molecules. Immune cells express metabolite-specific receptors such as P2X 7 , GPR41, GPR43, GPR109A, aryl hydrocarbon receptor precursor (AhR), pregnane X receptor (PXR), farnesoid X receptor (FXR), TGR5 and other molecular targets. Microbial metabolites and their receptors form an extensive array of signals to respond to changes in nutrition, health and immunological status. As a consequence, microbial metabolite signals contribute to nutrient harvest from diet, and regulate host metabolism and the immune system. Importantly, microbial metabolites bidirectionally function to promote both tolerance and immunity to effectively fight infection without developing inflammatory diseases. In pathogenic conditions, adverse effects of microbial metabolites have been observed as well. Key immune-regulatory functions of the metabolites, generated from carbohydrates, proteins and bile acids, are reviewed in this article. © 2018 John Wiley & Sons Ltd.

  1. Nontargeted Identification of Reactive Metabolite Protein Adducts.

    Science.gov (United States)

    Leeming, Michael G; Donald, William A; O'Hair, Richard A J

    2017-06-06

    Metabolic bioactivation of many different chemicals results in the formation of highly reactive compounds (chemically reactive metabolites, CRMs) that can lead to toxicity via binding to macromolecular targets (e.g., proteins or DNA). There is a need to develop robust, rapid, and nontargeted analytical techniques to determine the identity of the protein targets of CRMs and their sites of modification. Here, we introduce a nontargeted methodology capable of determining both the identity of a CRM formed from an administered compound as well as the protein targets modified by the reactive metabolite in a single experiment without prior information. Acetaminophen (N-acetyl-p-aminophenol, APAP) and 13 C 6 -APAP were incubated with rat liver microsomes, which are known to bioactivate APAP to the reactive metabolite N-acetyl-p-benzoquinone imine (NAPQI). Global tryptic digestion followed by liquid chromatographic/mass spectrometric (LC/MS) analysis was used to locate "twin" ion peaks of peptides adducted by NAPQI and for shotgun proteomics via tandem mass spectrometry (MS/MS). By the development of blended data analytics software called Xenophile, the identity of the amino acid residue that was adducted can be established, which eliminates the need for specific parametrization of protein database search algorithms. This combination of experimental design and data analysis software allows the identity of a CRM, the protein target, and the amino acid residues that are modified to be rapidly established directly from experimental data. Xenophile is freely available from https://github.com/mgleeming/Xenophile .

  2. Development of a simple and sensitive liquid chromatography triple quadrupole mass spectrometry (LC-MS/MS) method for the determination of cannabidiol (CBD), Δ9-tetrahydrocannabinol (THC) and its metabolites in rat whole blood after oral administration of a single high dose of CBD.

    Science.gov (United States)

    Palazzoli, Federica; Citti, Cinzia; Licata, Manuela; Vilella, Antonietta; Manca, Letizia; Zoli, Michele; Vandelli, Maria Angela; Forni, Flavio; Cannazza, Giuseppe

    2018-02-20

    The investigation of the possible conversion of cannabidiol (CBD) into Δ 9 -tetrahydrocannabinol (THC) in vivo after oral administration of CBD is reported herein since recent publications suggested a rapid conversion in simulated gastric fluid. To this end, single high dose of CBD (50mg/kg) was administered orally to rats and their blood was collected after 3 and 6h. A highly sensitive and selective LC-MS/MS method was developed and fully validated in compliance with the Scientific Working Group of Forensic Toxicology (SWGTOX) standard practices for method validation in forensic toxicology. This method also involved the optimization of cannabinoids and their metabolites extraction in order to remove co-eluting phospholipids and increase the sensitivity of the MS detection. Neither THC nor its metabolites were detected in rat whole blood after 3 or 6h from CBD administration. After oral administration, the amount of CBD dissolved in olive oil was higher than that absorbed from an ethanolic solution. This could be explained by the protection of lipid excipients towards CBD from acidic gastric juice. Copyright © 2017 Elsevier B.V. All rights reserved.

  3. Molecular dynamics simulations to examine structure, energetics, and evaporation/condensation dynamics in small charged clusters of water or methanol containing a single monatomic ion.

    Science.gov (United States)

    Daub, Christopher D; Cann, Natalie M

    2012-11-01

    We study small clusters of water or methanol containing a single Ca(2+), Na(+), or Cl(-) ion with classical molecular dynamics simulations, using models that incorporate polarizability via the Drude oscillator framework. Evaporation and condensation of solvent from these clusters is examined in two systems, (1) for isolated clusters initially prepared at different temperatures and (2) those with a surrounding inert (Ar) gas of varying temperature. We examine these clusters over a range of sizes, from almost bare ions up to 40 solvent molecules. We report data on the evaporation and condensation of solvent from the clusters and argue that the observed temperature dependence of evaporation in the smallest clusters demonstrates that the presence of heated gas alone cannot, in most cases, solely account for bare ion production in electrospray ionization (ESI), neglecting the key contribution of the electric field. We also present our findings on the structure and energetics of the clusters as a function of size. Our data agree well with the abundant literature on hydrated ion clusters and offer some novel insight into the structure of methanol and ion clusters, especially those with a Cl(-) anion, where we observe the presence of chain-like structures of methanol molecules. Finally, we provide some data on the reparameterizations necessary to simulate ions in methanol using the separately developed Drude oscillator models for methanol and for ions in water.

  4. Inner-shell spectroscopy and exchange interaction of Rydberg electrons bound by singly and doubly charged Kr and Xe atoms in small clusters

    Energy Technology Data Exchange (ETDEWEB)

    Nagasaka, Masanari; Hatsui, Takaki; Setoyama, Hiroyuki; Ruehl, Eckart [Institute for Molecular Science, Myodaiji, Okazaki 444-8585 (Japan); Kosugi, Nobuhiro, E-mail: kosugi@ims.ac.j [Institute for Molecular Science, Myodaiji, Okazaki 444-8585 (Japan)

    2011-01-15

    Surface-site resolved Kr 3d{sub 5/2}{sup -1}5p and 3d{sub 5/2}{sup -1}6p and Xe 4d{sub 5/2}{sup -1}6p and 4d{sub 5/2}{sup -1}7p Rydberg excited states in small van der Waals Kr and Xe clusters with a mean size of = 15 are investigated by X-ray absorption spectroscopy. Furthermore, surface-site resolved Kr 4s{sup -2}5p, 4s{sup -2}6p, and 4s{sup -1}4p{sup -1}5p shakeup-like Rydberg states in small Kr clusters are investigated by resonant Auger electron spectroscopy. The exchange interaction of the Rydberg electron with the surrounding atoms and the induced polarization of the surrounding atoms in the singly and doubly ionized atoms are deduced from the experimental spectra to analyze different surface-site contributions in small clusters, assuming that the corner, edge, face, and bulk sites have 3, 5-6, 8, and 12 nearest neighbor atoms. These energies are almost proportional to the number of the nearest neighbor atoms. The present analysis indicates that small Kr and Xe clusters with = 15 have an average or mixture structure between the fcc-like cubic and icosahedron-like spherical structures.

  5. Bignoniaceae Metabolites as Semiochemicals

    Directory of Open Access Journals (Sweden)

    Lucía Castillo

    2010-10-01

    Full Text Available Members of the family Bignoniaceae are mostly found in tropical and neo-tropical regions in America, Asia and Africa, although some of them are cultivated in other regions as ornamentals. Species belonging to this family have been extensively studied in regard to their pharmacological properties (as extracts and isolated compounds. The aim of this review is to summarize the reported scientific evidence about the chemical properties as well as that of the extracts and isolated compounds from species of this family, focusing mainly in insect-plant interactions. As it is known, this family is recognized for the presence of iridoids which are markers of oviposition and feeding preference to species which have became specialist feeders. Some herbivore species have also evolved to the point of been able to sequester iridoids and use them as defenses against their predators. However, iridoids also exhibit anti-insect properties, and therefore they may be good lead molecules to develop botanical pesticides. Other secondary metabolites, such as quinones, and whole extracts have also shown potential as anti-insect agents.

  6. A correlative study of polymorphisms of CYP2C19 and MDR1 C3435T with the pharmacokinetic profiles of lansoprazole and its main metabolites following single oral administration in healthy adult Chinese subjects.

    Science.gov (United States)

    Li, Chang-Yin; Zhang, Jun; Chu, Ji-Hong; Xu, Mei-Juan; Ju, Wen-Zheng; Liu, Fang; Jian-Dong, Zou

    2014-06-01

    Considering that the genotypes of CYP2C19 and MDRI C3435T are two major factors attributed to the inter-individual pharmacokinetic variability of lansoprazole (LSZ), the aim of the study was to simultaneously elucidate the effects of CYP2C19 and MDRI C3435T polymorphisms on the pharmacokinetics difference of LSZ and its metabolites 5'-hydroxy lansoprazole (HLSZ) and lansoprazole sulphone (LSZS) following oral administration of LSZ tablets in healthy Chinese subjects. Plasma concentration of LSZ, HLSZ and LSZS were quantified by a sensitive and specific LC-MS/MS method, while the genotypes of CYP2C19 and MDRI C3435T for each subject were identified by a direct sequencing method. Statistical analysis was performed in the pharmacokinetic parameters including Cmax, t1/2, Tmax, MRTo_-, AUCO-2 and AUCo_r among different genotype groups of CYP2C 19 and MDRI C3435T. Compared to the CYP2Cl9 EMs, the CYP2C 19 PM group showed slower elimination and betteroral bioavailability of LSZ, much higher plasma concentrations of LSZS and lower concentrations of HLSZ with statistically significance. Despite a tendency of more favorable absorption and rapid elimination of LSZ in wild genotype, no significant pharmacokinetics difference was observed between the wild genotype of MDR1 C3435T and its mutant types. In conclusion, the pharmacokinetics of MDRI C3435T.

  7. Environmental charges in airline markets

    Energy Technology Data Exchange (ETDEWEB)

    Carlsson, Fredrik [Goeteborg Univ., Dept. of Economics, Goeteborg (Sweden)

    2002-07-01

    Over the last two decades many airline markets have been deregulated, resulting in increased competition and use of different types of networks. At the same time there has been an intense discussion on environmental taxation of airline traffic. It is likely that an optimal environmental charge and the effects of a charge differ between different types of aviation markets. In this paper, we derive optimal flight (environmental) charges for different types of airline markets. The first type of market is a multiproduct monopoly airline operating either a point-to-point network or a hub-and-spoke network. The optimal charge is shown to be similar in construction to an optimal charge for a monopolist. We also compare the environmental impact of the two types of networks. Given no differences in marginal damages between airports we find that an airline will always choose the network with the highest environmental damages. The second type of market we investigate is a multiproduct duopoly, where two airlines compete in both passengers and flights. The formulation of the optimal charge is similar to the optimal charge of a single product oligopoly. However, we also show that it is, because of strategic effects, difficult to determine the effects of the charge on the number of flights. (Author)

  8. Secondary metabolites from marine microorganisms

    Directory of Open Access Journals (Sweden)

    KELECOM ALPHONSE

    2002-01-01

    Full Text Available After 40 years of intensive research, chemistry of marine natural products has become a mature field. Since 1995, there are signals of decreased interest in the search of new metabolites from traditional sources such as macroalgae and octocorals, and the number of annual reports on marine sponges stabilized. On the contrary, metabolites from microorganisms is a rapidly growing field, due, at least in part, to the suspicion that a number of metabolites obtained from algae and invertebrates may be produced by associated microorganisms. Studies are concerned with bacteria and fungi, isolated from seawater, sediments, algae, fish and mainly from marine invertebrates such as sponges, mollusks, tunicates, coelenterates and crustaceans. Although it is still to early to define tendencies, it may be stated that the metabolites from microorganisms are in most cases quite different from those produced by the invertebrate hosts. Nitrogenated metabolites predominate over acetate derivatives, and terpenes are uncommon. Among the latter, sesquiterpenes, diterpenes and carotenes have been isolated; among nitrogenated metabolites, amides, cyclic peptides and indole alkaloids predominate.

  9. Severe drought stress is affecting selected primary metabolites, polyphenols, and volatile metabolites in grapevine leaves (Vitis vinifera cv. Pinot noir).

    Science.gov (United States)

    Griesser, Michaela; Weingart, Georg; Schoedl-Hummel, Katharina; Neumann, Nora; Becker, Manuel; Varmuza, Kurt; Liebner, Falk; Schuhmacher, Rainer; Forneck, Astrid

    2015-03-01

    Extreme weather conditions with prolonged dry periods and high temperatures as well as heavy rain events can severely influence grapevine physiology and grape quality. The present study evaluates the effects of severe drought stress on selected primary metabolites, polyphenols and volatile metabolites in grapevine leaves. Among the 11 primary metabolites, 13 polyphenols and 95 volatiles which were analyzed, a significant discrimination between control and stressed plants of 7 primary metabolites, 11 polyphenols and 46 volatile metabolites was observed. As single parameters are usually not specific enough for the discrimination of control and stressed plants, an unsupervised (PCA) and a supervised (PLS-DA) multivariate approach were applied to combine results from different metabolic groups. In a first step a selection of five metabolites, namely citric acid, glyceric acid, ribose, phenylacetaldehyde and 2-methylbutanal were used to establish a calibration model using PLS regression to predict the leaf water potential. The model was strong enough to assign a high number of plants correctly with a correlation of 0.83. The PLS-DA provides an interesting approach to combine data sets and to provide tools for the specific evaluation of physiological plant stresses. Copyright © 2015 Elsevier Masson SAS. All rights reserved.

  10. CHARGE Association

    Directory of Open Access Journals (Sweden)

    Semanti Chakraborty

    2012-01-01

    Full Text Available We present here a case of 17-year-old boy from Kolkata presenting with obesity, bilateral gynecomastia, mental retardation, and hypogonadotrophic hypogonadism. The patient weighed 70 kg and was of 153 cm height. Facial asymmetry (unilateral facial palsy, gynecomastia, decreased pubic and axillary hair, small penis, decreased right testicular volume, non-palpable left testis, and right-sided congenital inguinal hernia was present. The patient also had disc coloboma, convergent squint, microcornea, microphthalmia, pseudohypertelorism, low set ears, short neck, and choanalatresia. He had h/o VSD repaired with patch. Laboratory examination revealed haemoglobin 9.9 mg/dl, urea 24 mg/dl, creatinine 0.68 mg/dl. IGF1 77.80 ng/ml (decreased for age, GH <0.05 ng/ml, testosterone 0.25 ng/ml, FSH-0.95 ΅IU/ml, LH 0.60 ΅IU/ml. ACTH, 8:00 A.M cortisol, FT3, FT4, TSH, estradiol, DHEA-S, lipid profile, and LFT was within normal limits. Prolactin was elevated at 38.50 ng/ml. The patient′s karyotype was 46XY. Echocardiography revealed ventricularseptal defect closed with patch, grade 1 aortic regurgitation, and ejection fraction 67%. Ultrasound testis showed small right testis within scrotal sac and undescended left testis within left inguinal canal. CT scan paranasal sinuses revealed choanalatresia and deviation of nasal septum to the right. Sonomammography revealed bilateral proliferation of fibroglandular elements predominantly in subareoalar region of breasts. MRI of brain and pituitary region revealed markedly atrophic pituitary gland parenchyma with preserved infundibulum and hypothalamus and widened suprasellar cistern. The CHARGE association is an increasingly recognized non-random pattern of congenital anomalies comprising of coloboma, heart defect, choanal atresia, retarded growth and development, genital hypoplasia, ear abnormalities, and/or deafness. [1] These anomalies have a higher probability of occurring together. In this report, we have

  11. Study of CP -violating charge asymmetries of single muons and like-sign dimuons in pp¯ collisions

    Energy Technology Data Exchange (ETDEWEB)

    Abazov, V. M.; Abbott, B.; Acharya, B. S.; Adams, M.; Adams, T.; Agnew, J. P.; Alexeev, G. D.; Alkhazov, G.; Alton, A.; Askew, A.; Atkins, S.; Augsten, K.; Avila, C.; Badaud, F.; Bagby, L.; Baldin, B.; Bandurin, D. V.; Banerjee, S.; Barberis, E.; Baringer, P.; Bartlett, J. F.; Bassler, U.; Bazterra, V.; Bean, A.; Begalli, M.; Bellantoni, L.; Beri, S. B.; Bernardi, G.; Bernhard, R.; Bertram, I.; Besançon, M.; Beuselinck, R.; Bhat, P. C.; Bhatia, S.; Bhatnagar, V.; Blazey, G.; Blessing, S.; Bloom, K.; Boehnlein, A.; Boline, D.; Boos, E. E.; Borissov, G.; Brandt, A.; Brandt, O.; Brock, R.; Bross, A.; Brown, D.; Bu, X. B.; Buehler, M.; Buescher, V.; Bunichev, V.; Burdin, S.; Buszello, C. P.; Camacho-Pérez, E.; Casey, B. C. K.; Castilla-Valdez, H.; Caughron, S.; Chakrabarti, S.; Chan, K. M.; Chandra, A.; Chapon, E.; Chen, G.; Cho, S. W.; Choi, S.; Choudhary, B.; Cihangir, S.; Claes, D.; Clutter, J.; Cooke, M.; Cooper, W. E.; Corcoran, M.; Couderc, F.; Cousinou, M. -C.; Cutts, D.; Das, A.; Davies, G.; de Jong, S. J.; De La Cruz-Burelo, E.; Déliot, F.; Demina, R.; Denisov, D.; Denisov, S. P.; Desai, S.; Deterre, C.; DeVaughan, K.; Diehl, H. T.; Diesburg, M.; Ding, P. F.; Dominguez, A.; Dubey, A.; Dudko, L. V.; Duperrin, A.; Dutt, S.; Eads, M.; Edmunds, D.; Ellison, J.; Elvira, V. D.; Enari, Y.; Evans, H.; Evdokimov, V. N.; Feng, L.; Ferbel, T.; Fiedler, F.; Filthaut, F.; Fisher, W.; Fisk, H. E.; Fortner, M.; Fox, H.; Fuess, S.; Garbincius, P. H.; Garcia-Bellido, A.; García-González, J. A.; Gavrilov, V.; Geng, W.; Gerber, C. E.; Gershtein, Y.; Ginther, G.; Golovanov, G.; Grannis, P. D.; Greder, S.; Greenlee, H.; Grenier, G.; Gris, Ph.; Grivaz, J. -F.; Grohsjean, A.; Grünendahl, S.; Grünewald, M. W.; Guillemin, T.; Gutierrez, G.; Gutierrez, P.; Haley, J.; Han, L.; Harder, K.; Harel, A.; Hauptman, J. M.; Hays, J.; Head, T.; Hebbeker, T.; Hedin, D.; Hegab, H.; Heinson, A. P.; Heintz, U.; Hensel, C.; Heredia-De La Cruz, I.; Herner, K.; Hesketh, G.; Hildreth, M. D.; Hirosky, R.; Hoang, T.; Hobbs, J. D.; Hoeneisen, B.; Hogan, J.; Hohlfeld, M.; Holzbauer, J. L.; Howley, I.; Hubacek, Z.; Hynek, V.; Iashvili, I.; Ilchenko, Y.; Illingworth, R.; Ito, A. S.; Jabeen, S.; Jaffré, M.; Jayasinghe, A.; Jeong, M. S.; Jesik, R.; Jiang, P.; Johns, K.; Johnson, E.; Johnson, M.; Jonckheere, A.; Jonsson, P.; Joshi, J.; Jung, A. W.; Juste, A.; Kajfasz, E.; Karmanov, D.; Katsanos, I.; Kehoe, R.; Kermiche, S.; Khalatyan, N.; Khanov, A.; Kharchilava, A.; Kharzheev, Y. N.; Kiselevich, I.; Kohli, J. M.; Kozelov, A. V.; Kraus, J.; Kumar, A.; Kupco, A.; Kurča, T.; Kuzmin, V. A.; Lammers, S.; Lebrun, P.; Lee, H. S.; Lee, S. W.; Lee, W. M.; Lei, X.; Lellouch, J.; Li, D.; Li, H.; Li, L.; Li, Q. Z.; Lim, J. K.; Lincoln, D.; Linnemann, J.; Lipaev, V. V.; Lipton, R.; Liu, H.; Liu, Y.; Lobodenko, A.; Lokajicek, M.; Lopes de Sa, R.; Luna-Garcia, R.; Lyon, A. L.; Maciel, A. K. A.; Madar, R.; Magaña-Villalba, R.; Malik, S.; Malyshev, V. L.; Mansour, J.; Martínez-Ortega, J.; McCarthy, R.; McGivern, C. L.; Meijer, M. M.; Melnitchouk, A.; Menezes, D.; Mercadante, P. G.; Merkin, M.; Meyer, A.; Meyer, J.; Miconi, F.; Mondal, N. K.; Mulhearn, M.; Nagy, E.; Narain, M.; Nayyar, R.; Neal, H. A.; Negret, J. P.; Neustroev, P.; Nguyen, H. T.; Nunnemann, T.; Orduna, J.; Osman, N.; Osta, J.; Pal, A.; Parashar, N.; Parihar, V.; Park, S. K.; Partridge, R.; Parua, N.; Patwa, A.; Penning, B.; Perfilov, M.; Peters, Y.; Petridis, K.; Petrillo, G.; Pétroff, P.; Pleier, M. -A.; Podstavkov, V. M.; Popov, A. V.; Prewitt, M.; Price, D.; Prokopenko, N.; Qian, J.; Quadt, A.; Quinn, B.; Ratoff, P. N.; Razumov, I.; Ripp-Baudot, I.; Rizatdinova, F.; Rominsky, M.; Ross, A.; Royon, C.; Rubinov, P.; Ruchti, R.; Sajot, G.; Sánchez-Hernández, A.; Sanders, M. P.; Santos, A. S.; Savage, G.; Sawyer, L.; Scanlon, T.; Schamberger, R. D.; Scheglov, Y.; Schellman, H.; Schwanenberger, C.; Schwienhorst, R.; Sekaric, J.; Severini, H.; Shabalina, E.; Shary, V.; Shaw, S.; Shchukin, A. A.; Simak, V.; Skubic, P.; Slattery, P.; Smirnov, D.; Snow, G. R.; Snow, J.; Snyder, S.; Söldner-Rembold, S.; Sonnenschein, L.; Soustruznik, K.; Stark, J.; Stoyanova, D. A.; Strauss, M.; Suter, L.; Svoisky, P.; Titov, M.; Tokmenin, V. V.; Tsai, Y. -T.; Tsybychev, D.; Tuchming, B.; Tully, C.; Uvarov, L.; Uvarov, S.; Uzunyan, S.; Van Kooten, R.; van Leeuwen, W. M.; Varelas, N.; Varnes, E. W.; Vasilyev, I. A.; Verkheev, A. Y.; Vertogradov, L. S.; Verzocchi, M.; Vesterinen, M.; Vilanova, D.; Vokac, P.; Wahl, H. D.; Wang, M. H. L. S.; Warchol, J.; Watts, G.; Wayne, M.; Weichert, J.; Welty-Rieger, L.; Williams, M. R. J.; Wilson, G. W.; Wobisch, M.; Wood, D. R.; Wyatt, T. R.; Xie, Y.; Yamada, R.; Yang, S.; Yasuda, T.; Yatsunenko, Y. A.; Ye, W.; Ye, Z.; Yin, H.; Yip, K.; Youn, S. W.; Yu, J. M.; Zennamo, J.; Zhao, T. G.; Zhou, B.; Zhu, J.; Zielinski, M.; Zieminska, D.; Zivkovic, L.

    2014-01-01

    We measure the inclusive single muon charge asymmetry and the like-sign dimuon charge asymmetry in $p \\bar{p}$ collisions using the full data set of 10.4 fb$^{-1}$ collected with the D0 detector at the Fermilab Tevatron. The standard model predictions of the charge asymmetries induced by CP violation are small in magnitude compared to the current experimental precision, so non-zero measurements could indicate new sources of CP violation. The measurements differ from the standard model predictions of CP violation in these asymmetries with a significance of 3.6 standard deviations. These results are interpreted in a framework of $B$ meson mixing within the CKM formalism to measure the relative width difference $\\dgg$ between the mass eigenstates of the $\\Bd$ meson system, and the semileptonic charge asymmetries $\\asld$ and $\\asls$ of $\\Bd$ and $\\Bs$ mesons respectively.

  12. Urinary excretion of MPTP and its primary metabolites in mice

    Energy Technology Data Exchange (ETDEWEB)

    Lau, Y.S.; Crampton, J.M.; Wilson, J.A.

    1988-01-01

    Mice were injected with single doses of MPTP containing one ..mu..Ci of (/sup 3/H)methyl-MPTP. Approximately 42% of the total injected (/sup 3/H) was detected in the urine within 3 hours after drug administration. The early urine samples were analyzed using high pressure liquid chromatography. MPTP N-oxide was identified as a major metabolite, with trace amounts of MPP/sup +/ and MPTP also detected. The urinary volume and excretion of MPTP metabolites were inhibited by pretreating the animals with probenecid. The results indicate that large amounts of injected MPTP are rapidly metabolized in the periphery by liver enzymes to form MPTP N-oxide.

  13. Workplace Charging. Charging Up University Campuses

    Energy Technology Data Exchange (ETDEWEB)

    Giles, Carrie [ICF International, Fairfax, VA (United States); Ryder, Carrie [ICF International, Fairfax, VA (United States); Lommele, Stephen [National Renewable Energy Lab. (NREL), Golden, CO (United States)

    2016-03-01

    This case study features the experiences of university partners in the U.S. Department of Energy's (DOE) Workplace Charging Challenge with the installation and management of plug-in electric vehicle (PEV) charging stations.

  14. Macrocluster desorption effect caused by single MCI: charges of gold clusters (2-20 nm) desorbed due to electronic processes induced by fission fragment bombardment in nanodispersed gold targets

    International Nuclear Information System (INIS)

    Baranov, I.; Jarmiychuk, S.; Kirillov, S.; Novikov, A.; Obnorskii, V.; Pchelintsev, A.; Wien, K.; Reimann, C.

    1999-01-01

    In this work the charge state of the negatively charged gold nanocluster ions (2-20 nm) that were desorbed from nanodispersed gold islet targets by 252 Cf fission fragments via electronic processes is studied. Mean cluster charge was calculated as a ratio of mean cluster mass to mean mass-to-charge ratio . Cluster masses were measured by means of a collector technique employing transmission electron microscopy and scanning force microscopy, while m/q was measured by means of a tandem TOF-spectrometer. It is shown that the nanocluster ions are mostly multiply charged (2-16e) and the charge increases non-linearly with the cluster size. The results are discussed

  15. Tracer kinetic modelling of receptor data with mathematical metabolite correction

    International Nuclear Information System (INIS)

    Burger, C.; Buck, A.

    1996-01-01

    Quantitation of metabolic processes with dynamic positron emission tomography (PET) and tracer kinetic modelling relies on the time course of authentic ligand in plasma, i.e. the input curve. The determination of the latter often requires the measurement of labelled metabilites, a laborious procedure. In this study we examined the possibility of mathematical metabolite correction, which might obviate the need for actual metabolite measurements. Mathematical metabilite correction was implemented by estimating the input curve together with kinetic tissue parameters. The general feasibility of the approach was evaluated in a Monte Carlo simulation using a two tissue compartment model. The method was then applied to a series of five human carbon-11 iomazenil PET studies. The measured cerebral tissue time-activity curves were fitted with a single tissue compartment model. For mathematical metabolite correction the input curve following the peak was approximated by a sum of three decaying exponentials, the amplitudes and characteristic half-times of which were then estimated by the fitting routine. In the simulation study the parameters used to generate synthetic tissue time-activity curves (K 1 -k 4 ) were refitted with reasonable identifiability when using mathematical metabolite correciton. Absolute quantitation of distribution volumes was found to be possible provided that the metabolite and the kinetic models are adequate. If the kinetic model is oversimplified, the linearity of the correlation between true and estimated distribution volumes is still maintained, although the linear regression becomes dependent on the input curve. These simulation results were confirmed when applying mathematical metabolite correction to the 11 C iomazenil study. Estimates of the distribution volume calculated with a measured input curve were linearly related to the estimates calculated using mathematical metabolite correction with correlation coefficients >0.990. (orig./MG)

  16. Secondary metabolites from Eremostachys laciniata

    DEFF Research Database (Denmark)

    Calis, Ihsan; Güvenc, Aysegül; Armagan, Metin

    2008-01-01

    ), and forsythoside B (18), and five flavone derivatives, luteolin (19), luteolin 7-O-β-D-glucopyranoside (20), luteolin 7-O-(6''-O-β-D-apiofuranosyl)-β-D-glucopyranoside (21), apigenin 7-O-β-D-glucopyranoside (22), and apigenin 7-O-(6''-O-p-coumaroyl)-β-D-glucopyranoside (23). The structures of the metabolites were...... elucidated from spectroscopic (UV, IR, 1D- and 2D-NMR) and ESI-MS evidence, as well as from their specific optical rotation. The presence of these metabolites of three different classes strongly supports the close relationship of the genera Eremostachys and Phlomis....

  17. Microbial production of primary metabolites

    Science.gov (United States)

    Demain, Arnold L.

    1980-12-01

    Microbial production of primary metabolites contributes significantly to the quality of life. Through fermentation, microorganisms growing on inexpensive carbon sources can produce valuable products such as amino acids, nucleotides, organic acids, and vitamins which can be added to food to enhance its flavor or increase its nutritive value. The contribution of microorganisms will go well beyond the food industry with the renewed interest in solvent fermentations. Microorganisms have the potential to provide many petroleum-derived products as well as the ethanol necessary for liquid fuel. The role of primary metabolites and the microbes which produce them will certainly increase in importance.

  18. First principle study of the electronic structure, Fermi surface, electronic charge density and optical properties of ThCu{sub 5}In and ThCu{sub 5}Sn single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Reshak, A.H. [Institute of complex systems, FFPW, CENAKVA-University of South Bohemia in CB, Nove Hrady 37333 (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Azam, Sikander, E-mail: sikander.physicst@gmail.com [Institute of complex systems, FFPW, CENAKVA-University of South Bohemia in CB, Nove Hrady 37333 (Czech Republic)

    2014-02-15

    The electronic structure, Fermi surface, electronic charge density and optical properties of ThCu{sub 5}In and ThCu{sub 5}Sn single crystals are studied. The calculations are based on the full potential-linearized augmented plane wave (FPLAPW) method. The exchange and correlation potential is treated by the local density approximation (LDA) and generalized-gradient approximation (GGA), in addition the Engel–Vosko (EV-GGA) formalism was also applied. The DFT calculations show that these compounds have metallic origin. The contribution of different bands was analyzed from total and partial density of states curves. The values of the density of states at Fermi energy (N(E{sub F})) for ThCu{sub 5}In (ThCu{sub 5}Sn) is 1.75 (1.63) states/eV unit cell. The bare electronic specific heat coefficient (γ) is found to be equal to 0.30 and 0.28 mJ/mol-K{sup 2} for ThCu{sub 5}In and ThCu{sub 5}Sn, respectively. The Fermi surface of ThCu{sub 5}In/ThCu{sub 5}Sn is composed of three/four bands crossing along the R–Γ direction. The bonding features are analyzed by using the electronic charge density contour in the (101) crystallographic plane and it shows the covalent character of Cu–Cu and Sn/In–Cu bonds. The optical properties were also calculated and analyzed. - Highlights: • The DFT-FPLAPW method used for calculating the properties of ThCu{sub 5}In and ThCu{sub 5}Sn compounds. • This study shows that the nature of the two compounds is metallic. • Crystallographic plane and it shows the covalent character of Cu–Cu and Sn/In–Cu bonds. • The optical properties were also calculated and analyzed. • The Fermi surface of ThCu{sub 5}In/ThCu{sub 5}Sn is composed of three/four bands crossing along the R–Γ direction.

  19. Quantitative Method for Simultaneous Analysis of Acetaminophen and 6 Metabolites.

    Science.gov (United States)

    Lammers, Laureen A; Achterbergh, Roos; Pistorius, Marcel C M; Romijn, Johannes A; Mathôt, Ron A A

    2017-04-01

    Hepatotoxicity after ingestion of high-dose acetaminophen [N-acetyl-para-aminophenol (APAP)] is caused by the metabolites of the drug. To gain more insight into factors influencing susceptibility to APAP hepatotoxicity, quantification of APAP and metabolites is important. A few methods have been developed to simultaneously quantify APAP and its most important metabolites. However, these methods require a comprehensive sample preparation and long run times. The aim of this study was to develop and validate a simplified, but sensitive method for the simultaneous quantification of acetaminophen, the main metabolites acetaminophen glucuronide and acetaminophen sulfate, and 4 Cytochrome P450-mediated metabolites by using liquid chromatography with mass spectrometric (LC-MS) detection. The method was developed and validated for the human plasma, and it entailed a single method for sample preparation, enabling quick processing of the samples followed by an LC-MS method with a chromatographic run time of 9 minutes. The method was validated for selectivity, linearity, accuracy, imprecision, dilution integrity, recovery, process efficiency, ionization efficiency, and carryover effect. The method showed good selectivity without matrix interferences. For all analytes, the mean process efficiency was >86%, and the mean ionization efficiency was >94%. Furthermore, the accuracy was between 90.3% and 112% for all analytes, and the within- and between-run imprecision were method presented here enables the simultaneous quantification of APAP and 6 of its metabolites. It is less time consuming than previously reported methods because it requires only a single and simple method for the sample preparation followed by an LC-MS method with a short run time. Therefore, this analytical method provides a useful method for both clinical and research purposes.

  20. Detection of Volatile Metabolites of Garlic in Human Breast Milk

    Science.gov (United States)

    Scheffler, Laura; Sauermann, Yvonne; Zeh, Gina; Hauf, Katharina; Heinlein, Anja; Sharapa, Constanze; Buettner, Andrea

    2016-01-01

    The odor of human breast milk after ingestion of raw garlic at food-relevant concentrations by breastfeeding mothers was investigated for the first time chemo-analytically using gas chromatography−mass spectrometry/olfactometry (GC-MS/O), as well as sensorially using a trained human sensory panel. Sensory evaluation revealed a clear garlic/cabbage-like odor that appeared in breast milk about 2.5 h after consumption of garlic. GC-MS/O analyses confirmed the occurrence of garlic-derived metabolites in breast milk, namely allyl methyl sulfide (AMS), allyl methyl sulfoxide (AMSO) and allyl methyl sulfone (AMSO2). Of these, only AMS had a garlic-like odor whereas the other two metabolites were odorless. This demonstrates that the odor change in human milk is not related to a direct transfer of garlic odorants, as is currently believed, but rather derives from a single metabolite. The formation of these metabolites is not fully understood, but AMSO and AMSO2 are most likely formed by the oxidation of AMS in the human body. The excretion rates of these metabolites into breast milk were strongly time-dependent with large inter-individual differences. PMID:27275838

  1. Detection of Volatile Metabolites of Garlic in Human Breast Milk

    Directory of Open Access Journals (Sweden)

    Laura Scheffler

    2016-06-01

    Full Text Available The odor of human breast milk after ingestion of raw garlic at food-relevant concentrations by breastfeeding mothers was investigated for the first time chemo-analytically using gas chromatography−mass spectrometry/olfactometry (GC-MS/O, as well as sensorially using a trained human sensory panel. Sensory evaluation revealed a clear garlic/cabbage-like odor that appeared in breast milk about 2.5 h after consumption of garlic. GC-MS/O analyses confirmed the occurrence of garlic-derived metabolites in breast milk, namely allyl methyl sulfide (AMS, allyl methyl sulfoxide (AMSO and allyl methyl sulfone (AMSO2. Of these, only AMS had a garlic-like odor whereas the other two metabolites were odorless. This demonstrates that the odor change in human milk is not related to a direct transfer of garlic odorants, as is currently believed, but rather derives from a single metabolite. The formation of these metabolites is not fully understood, but AMSO and AMSO2 are most likely formed by the oxidation of AMS in the human body. The excretion rates of these metabolites into breast milk were strongly time-dependent with large inter-individual differences.

  2. Enabling fast charging - Vehicle considerations

    Science.gov (United States)

    Meintz, Andrew; Zhang, Jiucai; Vijayagopal, Ram; Kreutzer, Cory; Ahmed, Shabbir; Bloom, Ira; Burnham, Andrew; Carlson, Richard B.; Dias, Fernando; Dufek, Eric J.; Francfort, James; Hardy, Keith; Jansen, Andrew N.; Keyser, Matthew; Markel, Anthony; Michelbacher, Christopher; Mohanpurkar, Manish; Pesaran, Ahmad; Scoffield, Don; Shirk, Matthew; Stephens, Thomas; Tanim, Tanvir

    2017-11-01

    To achieve a successful increase in the plug-in battery electric vehicle (BEV) market, it is anticipated that a significant improvement in battery performance is required to increase the range that BEVs can travel and the rate at which they can be recharged. While the range that BEVs can travel on a single recharge is improving, the recharge rate is still much slower than the refueling rate of conventional internal combustion engine vehicles. To achieve comparable recharge times, we explore the vehicle considerations of charge rates of at least 400 kW. Faster recharge is expected to significantly mitigate the perceived deficiencies for long-distance transportation, to provide alternative charging in densely populated areas where overnight charging at home may not be possible, and to reduce range anxiety for travel within a city when unplanned charging may be required. This substantial increase in charging rate is expected to create technical issues in the design of the battery system and the vehicle's electrical architecture that must be resolved. This work focuses on vehicle system design and total recharge time to meet the goals of implementing improved charge rates and the impacts of these expected increases on system voltage and vehicle components.

  3. Primary expectations of secondary metabolites

    Science.gov (United States)

    My program examines the plant secondary metabolites (i.e. phenolics) important for human health, and which impart the organoleptic properties that are quality indicators for fresh and processed foods. Consumer expectations such as appearance, taste, or texture influence their purchasing decisions; a...

  4. MET-XAlign: a metabolite cross-alignment tool for LC/MS-based comparative metabolomics.

    Science.gov (United States)

    Zhang, Wenchao; Lei, Zhentian; Huhman, David; Sumner, Lloyd W; Zhao, Patrick X

    2015-09-15

    Liquid chromatography/mass spectrometry (LC/MS) metabolite profiling has been widely used in comparative metabolomics studies; however, LC/MS-based comparative metabolomics currently faces several critical challenges. One of the greatest challenges is how to effectively align metabolites across different LC/MS profiles; a single metabolite can give rise to multiple peak features, and the grouped peak features that can be used to construct a spectrum pattern of single metabolite can vary greatly between biochemical experiments and even between instrument runs. Another major challenge is that the observed retention time for a single metabolite can also be significantly affected by experimental conditions. To overcome these two key challenges, we present a novel metabolite-based alignment approach entitled MET-XAlign to align metabolites across LC/MS metabolomics profiles. MET-XAlign takes the deduced molecular mass and estimated compound retention time information that can be extracted by our previously published tool, MET-COFEA, and aligns metabolites based on this information. We demonstrate that MET-XAlign is able to cross-align metabolite compounds, either known or unknown, in LC/MS profiles not only across different samples but also across different biological experiments and different electrospray ionization modes. Therefore, our proposed metabolite-based cross-alignment approach is a great step forward and its implementation, MET-XAlign, is a very useful tool in LC/MS-based comparative metabolomics. MET-XAlign has been successfully implemented with core algorithm coding in C++, making it very efficient, and visualization interface coding in the Microsoft.NET Framework. The MET-XAlign software along with demonstrative data is freely available at http://bioinfo.noble.org/manuscript-support/met-xalign/ .

  5. Metabolite profiles of common Stemphylium species

    DEFF Research Database (Denmark)

    Andersen, Birgitte; Solfrizzo, Michelle; Visconti, Angelo

    1995-01-01

    Thirty-three isolates of Stemphylium spp. have been analysed for their metabolite profiles. Five metabolites, stemphylin, stemphyloxin II, stemphyperylenol, stemphol and a stemphol related compound, have been detected by high-performance liquid chromatography and thin-layer chromatography...

  6. Formation of reactive metabolites from benzene

    International Nuclear Information System (INIS)

    Snyder, R.; Jowa, L.; Witz, G.; Kalf, G.; Rushmore, T.

    1986-01-01

    Rat liver mitoplasts were incubated first with [ 3 H]dGTP, to form DNA labeled in G, and then with [ 14 C]benzene. The DNA was isolated and upon isopycnic density gradient centrifugation in CsCl yielded a single fraction of DNA labeled with both [ 3 H] and [ 14 C]. These data are consistent with the covalent binding of one or more metabolites of benzene to DNA. The DNA was enzymatically hydrolyzed to deoxynucleosides and chromatographed to reveal at least seven deoxyguanosine adducts. Further studies with labeled deoxyadenine revealed one adduct on deoxyadenine. [ 3 H]Deoxyguanosine was reacted with [ 14 C]hydroquinone or benzoquinone. The product was characterized using uv, fluorescence, mass and NMR spectroscopy. A proposed structure is described. (orig.)

  7. Convulsive liability of bupropion hydrochloride metabolites in Swiss albino mice

    Directory of Open Access Journals (Sweden)

    McMahon Louis

    2008-10-01

    Full Text Available Abstract Background It is known that following chronic dosing with bupropion HCl active metabolites are present in plasma at levels that are several times higher than that of the parent drug, but the possible convulsive effects of the major metabolites are not known. Methods We investigated the convulsive liability and dose-response of the three major bupropion metabolites following intraperitoneal administration of single doses in female Swiss albino mice, namely erythrohydrobupropion HCl, threohydrobupropion HCl, and hydroxybupropion HCl. We compared these to bupropion HCl. The actual doses of the metabolites administered to mice (n = 120; 10 per dose group were equimolar equivalents of bupropion HCl 25, 50 and 75 mg/kg. Post treatment, all animals were observed continuously for 2 h during which the number, time of onset, duration and intensity of convulsions were recorded. The primary outcome variable was the percentage of mice in each group who had a convulsion at each dose. Other outcome measures were the time to onset of convulsions, mean convulsions per mouse, and the duration and intensity of convulsions. Results All metabolites were associated with a greater percentage of seizures compared to bupropion, but the percentage of convulsions differed between metabolites. Hydroxybupropion HCl treatment induced the largest percentage of convulsing mice (100% at both 50 and 75 mg/kg followed by threohydrobupropion HCl (50% and 100%, and then erythrohydrobupropion HCl (10% and 90%, compared to bupropion HCl (0% and 10%. Probit analysis also revealed the dose-response curves were significantly different (p 50 values of 35, 50, 61 and 82 mg/kg, respectively for the four different treatments. Cox proportional hazards model results showed that bupropion HCl, erythrohydrobupropion HCl, and threohydrobupropion HCl were significantly less likely to induce convulsions within the 2-h post treatment observation period compared to hydroxybupropion HCl. The

  8. Detection of 191 Taxifolin Metabolites and Their Distribution in Rats Using HPLC-ESI-IT-TOF-MSn

    Directory of Open Access Journals (Sweden)

    Ping Yang

    2016-09-01

    Full Text Available Taxifolin is a ubiquitous bioactive constituent of foods and herbs. To thoroughly explore its metabolism in vivo, an HPLC-ESI-IT-TOF-MSn method combined with specific metabolite detection strategy was used to detect and identify the metabolites of taxifolin in rats. Of the 191 metabolites tentatively identified, 154 were new metabolites, 69 were new compounds and 32 were dimers. This is the first report of the in vivo biotransformation of a single compound into more than 100 metabolites. Furthermore, acetylamination and pyroglutamic acid conjugation were identified as new metabolic reactions. Seventeen metabolites were found to have various taxifolin-related bioactivities. The potential targets of taxifolin and 63 metabolites were predicted using PharmMapper, with results showing that more than 60 metabolites have the same five targets. Metabolites with the same fragment pattern may have the same pharmacophore. Thus these metabolites may exert the same pharmacological effects as taxifolin through an additive effect on the same drug targets. This observation indicates that taxifolin is bioactive not only in the parent form, but also through its metabolites. These findings enhance understanding of the metabolism and effective forms of taxifolin and may provide further insight of the beneficial effects of taxifolin and its derivatives.

  9. Thermodynamics-based Metabolite Sensitivity Analysis in metabolic networks.

    Science.gov (United States)

    Kiparissides, A; Hatzimanikatis, V

    2017-01-01

    The increasing availability of large metabolomics datasets enhances the need for computational methodologies that can organize the data in a way that can lead to the inference of meaningful relationships. Knowledge of the metabolic state of a cell and how it responds to various stimuli and extracellular conditions can offer significant insight in the regulatory functions and how to manipulate them. Constraint based methods, such as Flux Balance Analysis (FBA) and Thermodynamics-based flux analysis (TFA), are commonly used to estimate the flow of metabolites through genome-wide metabolic networks, making it possible to identify the ranges of flux values that are consistent with the studied physiological and thermodynamic conditions. However, unless key intracellular fluxes and metabolite concentrations are known, constraint-based models lead to underdetermined problem formulations. This lack of information propagates as uncertainty in the estimation of fluxes and basic reaction properties such as the determination of reaction directionalities. Therefore, knowledge of which metabolites, if measured, would contribute the most to reducing this uncertainty can significantly improve our ability to define the internal state of the cell. In the present work we combine constraint based modeling, Design of Experiments (DoE) and Global Sensitivity Analysis (GSA) into the Thermodynamics-based Metabolite Sensitivity Analysis (TMSA) method. TMSA ranks metabolites comprising a metabolic network based on their ability to constrain the gamut of possible solutions to a limited, thermodynamically consistent set of internal states. TMSA is modular and can be applied to a single reaction, a metabolic pathway or an entire metabolic network. This is, to our knowledge, the first attempt to use metabolic modeling in order to provide a significance ranking of metabolites to guide experimental measurements. Copyright © 2016 International Metabolic Engineering Society. Published by Elsevier

  10. Abnormal Metabolite in Alcoholic Subjects,

    Science.gov (United States)

    1982-01-01

    0.01 0.12 81 A.A. 51 M 0 ɘ.01 0.09 Schizophrenia 85a W.G. 67 M 0 ɘ.01 0.21 Proteins & Ketones in Urine b 0 ɘ.01 0.11 86a W.H. 67 M 0 ɘ.01 0.15 b 0...AD-AS 90 TOTTS GAP MEDICAL RESEARCH LABS INC BANGOR PA F/G 6/5 ABNORMAL METABOLITE IN ALCOHOLIC SUBJECTS, U) 1982 R L BEECH, M E FELVER, M R...LAKSCHMANAN NOOBIN 70 C 0233 UNJCLASSIFIED NL I ,I/ ABNORMAL METABOLITE IN ALCOHOLIC SUBJECTS Richard L . Veech, Michael E. Felver, M.R. Lakschmanan, Stewart

  11. Formation of Developmentally Toxic Phenanthrene Metabolite Mixtures by Mycobacterium sp. ELW1.

    Science.gov (United States)

    Schrlau, Jill E; Kramer, Amber L; Chlebowski, Anna; Truong, Lisa; Tanguay, Robert L; Simonich, Staci L Massey; Semprini, Lewis

    2017-08-01

    Mycobacterium sp. ELW1 co-metabolically degraded up to 1.8 μmol of phenanthrene (PHE) in ∼48 h, and hydroxyphenanthrene (OHPHE) metabolites, including 1-hydroxyphenanthrene (1-OHPHE), 3-hydroxyphenanthrene (3-OHPHE), 4-hydroxyphenanthrene (4-OHPHE), 9-hydroxyphenanthrene (9-OHPHE), 9,10-dihydroxyphenanthrene (1,9-OHPHE), and trans-9,10-dihydroxy-9,10-dihydrophenanthrene (trans-9,10-OHPHE), were identified and quantified over time. The monooxygenase responsible for co-metabolic transformation of PHE was inhibited by 1-octyne. First-order PHE transformation rates, k PHE , and half-lives, t 1/2 , for PHE-exposed cells were 0.16-0.51 h -1 and 1.4-4.3 h, respectively, and the 1-octyne controls ranged from 0.015-0.10 h -1 to 7.0-47 h, respectively. While single compound standards of PHE and trans-9,10-OHPHE, the major OHPHE metabolite formed by ELW1, were not toxic to embryonic zebrafish (Danio rerio), single compound standards of minor OHPHE metabolites, 1-OHPHE, 3-OHPHE, 4-OHPHE, 9-OHPHE, and 1,9-OHPHE, were toxic, with effective concentrations (EC 50 's) ranging from 0.5 to 5.5 μM. The metabolite mixtures formed by ELW1, and the reconstructed standard mixtures of the identified OHPHE metabolites, elicited a toxic response in zebrafish for the same three time points. EC 50 s for the metabolite mixtures formed by ELW1 were lower (more toxic) than those for the reconstructed standard mixtures of the identified OHPHE metabolites. Ten unidentified hydroxy PHE metabolites were measured in the derivatized mixtures formed by ELW1 and may explain the increased toxicity of the ELW1 metabolites mixture relative to the reconstructed standard mixtures of the identified OHPHE metabolites.

  12. Single electron-ics with carbon nanotubes

    NARCIS (Netherlands)

    Götz, G.T.J.

    2010-01-01

    We experimentally investigate Quantum Dots, formed in Carbon Nanotubes. The first part of this thesis deals with charge sensing on such quantum dots. The charge sensor is a metallic Single-electron-transistor, sensitive to the charge of a single electron on the quantum dot. We use this technique for

  13. Metabolites in vertebrate Hedgehog signaling.

    Science.gov (United States)

    Roberg-Larsen, Hanne; Strand, Martin Frank; Krauss, Stefan; Wilson, Steven Ray

    2014-04-11

    The Hedgehog (HH) signaling pathway is critical in embryonic development, stem cell biology, tissue homeostasis, chemoattraction and synapse formation. Irregular HH signaling is associated with a number of disease conditions including congenital disorders and cancer. In particular, deregulation of HH signaling has been linked to skin, brain, lung, colon and pancreatic cancers. Key mediators of the HH signaling pathway are the 12-pass membrane protein Patched (PTC), the 7-pass membrane protein Smoothened (SMO) and the GLI transcription factors. PTC shares homology with the RND family of small-molecule transporters and it has been proposed that it interferes with SMO through metabolites. Although a conclusive picture is lacking, substantial efforts are made to identify and understand natural metabolites/sterols, including cholesterol, vitamin D3, oxysterols and glucocorticoides, that may be affected by, or influence the HH signaling cascade at the level of PTC and SMO. In this review we will elaborate the role of metabolites in HH signaling with a focus on oxysterols, and discuss advancements in modern analytical approaches in the field. Copyright © 2014 Elsevier Inc. All rights reserved.

  14. Chromatographic analysis of tryptophan metabolites.

    Science.gov (United States)

    Sadok, Ilona; Gamian, Andrzej; Staniszewska, Magdalena Maria

    2017-08-01

    The kynurenine pathway generates multiple tryptophan metabolites called collectively kynurenines and leads to formation of the enzyme cofactor nicotinamide adenine dinucleotide. The first step in this pathway is tryptophan degradation, initiated by the rate-limiting enzymes indoleamine 2,3-dioxygenase, or tryptophan 2,3-dioxygenase, depending on the tissue. The balanced kynurenine metabolism, which has been a subject of multiple studies in last decades, plays an important role in several physiological and pathological conditions such as infections, autoimmunity, neurological disorders, cancer, cataracts, as well as pregnancy. Understanding the regulation of tryptophan depletion provide novel diagnostic and treatment opportunities, however it requires reliable methods for quantification of kynurenines in biological samples with complex composition (body fluids, tissues, or cells). Trace concentrations, interference of sample components, and instability of some tryptophan metabolites need to be addressed using analytical methods. The novel separation approaches and optimized extraction protocols help to overcome difficulties in analyzing kynurenines within the complex tissue material. Recent developments in chromatography coupled with mass spectrometry provide new opportunity for quantification of tryptophan and its degradation products in various biological samples. In this review, we present current accomplishments in the chromatographic methodologies proposed for detection of tryptophan metabolites and provide a guide for choosing the optimal approach. © 2017 The Authors. Journal of Separation Science published by Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  15. Improving the discovery potential of charged Higgs bosons at the ...

    Indian Academy of Sciences (India)

    The detection of charged Higgs bosons (H ¦) at Tevatron or the LHC would unequivocally imply the existence of physics beyond the standard model (SM), since spin-less charged scalar states do not belong to its particle spectrum. Singly charged Higgs bosons appear in any two-Higgs doublet model (2HDM), including a ...

  16. Phenolic metabolites of anthocyanins following a dietary intervention study in post-menopausal women.

    Science.gov (United States)

    de Ferrars, Rachel M; Cassidy, Aedín; Curtis, Peter; Kay, Colin D

    2014-03-01

    Numerous studies feeding anthocyanin-rich foods report limited bioavailability of the parent anthocyanins. The present study explores the identity and concentration of the phenolic metabolites of anthocyanins in humans. Anthocyanin metabolites were quantified in samples collected from a previously conducted 12-wk elderberry intervention study in healthy post-menopausal women. Individual 1-, 2- and 3-h post-bolus urine samples and pooled plasma samples following acute (single bolus) and chronic (12-wk supplementation) anthocyanin consumption (500 mg/day) were analysed using HPLC-ESI-MS/MS. Twenty-eight anthocyanin metabolites were identified in urine and 21 in plasma (including sulfates of vanillic, protocatechuic and benzoic acid). Phenolic metabolites reached peak concentrations of 1237 nM in plasma, while anthocyanin conjugates only reached concentrations of 34 nM. Similarly, in urine, phenolic metabolites were detected at concentrations of 33,185 ± 2549 nM/mM creatinine, while anthocyanin conjugates reached concentrations of 548 ± 219 nM/mM creatinine. There was no evidence that chronic exposure had any impact on either the profile or quantity of metabolites recovered relative to acute exposure. An extensive range of phenolic metabolites of anthocyanin was identified following elderberry consumption in humans, including 11 novel metabolites, which were identified at much higher concentrations than their parent compounds. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Interactions between Plant Metabolites Affect Herbivores: A Study with Pyrrolizidine Alkaloids and Chlorogenic Acid

    Science.gov (United States)

    Liu, Xiaojie; Vrieling, Klaas; Klinkhamer, Peter G.L.

    2017-01-01

    The high structural diversity of plant metabolites suggests that interactions among them should be common. We investigated the effects of single metabolites and combinations of plant metabolites on insect herbivores. In particular we studied the interacting effects of pyrrolizidine alkaloid (PAs), and chlorogenic acid (CGA), on a generalist herbivore, Frankliniella occidentalis. We studied both the predominantly occurring PA N-oxides and the less frequent PA free bases. We found antagonistic effects between CGA and PA free bases on thrips mortality. In contrast PA N-oxides showed synergistic interactions with CGA. PA free bases caused a higher thrips mortality than PA N-oxides while the reverse was through for PAs in combination with CGA. Our results provide an explanation for the predominate storage of PA N-oxides in plants. We propose that antagonistic interactions represent a constraint on the accumulation of plant metabolites, as we found here for Jacobaea vulgaris. The results show that the bioactivity of a given metabolite is not merely dependent upon the amount and chemical structure of that metabolite, but also on the co-occurrence metabolites in, e.g., plant cells, tissues and organs. The significance of this study is beyond the concerns of the two specific groups tested here. The current study is one of the few studies so far that experimentally support the general conception that the interactions among plant metabolites are of great importance to plant-environment interactions. PMID:28611815

  18. Interactions between Plant Metabolites Affect Herbivores: A Study with Pyrrolizidine Alkaloids and Chlorogenic Acid

    Directory of Open Access Journals (Sweden)

    Xiaojie Liu

    2017-05-01

    Full Text Available The high structural diversity of plant metabolites suggests that interactions among them should be common. We investigated the effects of single metabolites and combinations of plant metabolites on insect herbivores. In particular we studied the interacting effects of pyrrolizidine alkaloid (PAs, and chlorogenic acid (CGA, on a generalist herbivore, Frankliniella occidentalis. We studied both the predominantly occurring PA N-oxides and the less frequent PA free bases. We found antagonistic effects between CGA and PA free bases on thrips mortality. In contrast PA N-oxides showed synergistic interactions with CGA. PA free bases caused a higher thrips mortality than PA N-oxides while the reverse was through for PAs in combination with CGA. Our results provide an explanation for the predominate storage of PA N-oxides in plants. We propose that antagonistic interactions represent a constraint on the accumulation of plant metabolites, as we found here for Jacobaea vulgaris. The results show that the bioactivity of a given metabolite is not merely dependent upon the amount and chemical structure of that metabolite, but also on the co-occurrence metabolites in, e.g., plant cells, tissues and organs. The significance of this study is beyond the concerns of the two specific groups tested here. The current study is one of the few studies so far that experimentally support the general conception that the interactions among plant metabolites are of great importance to plant-environment interactions.

  19. Functional nucleic acids as in vivo metabolite and ion biosensors.

    Science.gov (United States)

    Alsaafin, Alaa; McKeague, Maureen

    2017-08-15

    Characterizing the role of metabolites, metals, and proteins is required to understand normal cell function, and ultimately, elucidate the mechanism of disease. Metabolite concentration and transformation results collected from cell lysates or fixed-cells conceal important dynamic information and differences between individual cells that often have profound functional consequences. Functional nucleic acid-based biosensors are emerging tools that are capable of monitoring ions and metabolites in cell populations or whole animals. Functional nucleic acids (FNAs) are a class of biomolecules that can exhibit either ligand binding or enzymatic activity. Unlike their protein analogues or the use of instrument-based analysis, FNA-based biosensors are capable of entering cells without disruption to the cellular environment and can report on the concentration, dynamics, and spatial localization of molecules in cells. Here, we review the types of FNAs that have been used as in vivo biosensors, and how FNAs can be coupled to transduction systems and delivered inside cells. We also provide examples from the literature that demonstrate their impact in practical applications. Finally, we comment on the critical limitations that need to be addressed to enable their use for single-cell dynamic tracking of metabolites and ions in vivo. Crown Copyright © 2017. Published by Elsevier B.V. All rights reserved.

  20. Metabolite

    Science.gov (United States)

    Kumar V, Abbas AK, Aster JC. Cellular responses to stress and toxic insults: adaptation, injury, and death. In: Kumar V, Abbas AK, Aster JC, eds. Robbins and Cotran Pathologic Basis of Disease . 9th ed. Philadelphia, PA: ...

  1. Production, transport and charge capture measurements of highly charged recoil ions

    International Nuclear Information System (INIS)

    Trebus, U.E.

    1989-01-01

    An experiment is described to study highly charged recoil ions on-line to the heavy accelerator UNILAC at GSI. The highly charged recoil ions are produced by heavy-ion bombardment of a gas target. Subsequently the slow highly charged recoil ions are extracted from the ionization volume, and guided through a beam transport line to a Wien filter for charge state selection and to a collision region to study charge transfer processes. Several experiments were carried out to show the efficient charge state separation. Charge states up to q = 15 were observed. When using a retarding field analyzer cross sections for single electron capture were determined for different charge states of Xe q+ for q = 4 to 11 and He gas. The experiments demonstrated increasing charge transfer cross sections with increasing charge state q and indicated the effect of near resonant charge capture for q = 6. The flexible data acquisition system used, is described and other future experiments, such as for instance in flight ion-trapping are indicated in the appendix

  2. Linear shaped charge

    Energy Technology Data Exchange (ETDEWEB)

    Peterson, David; Stofleth, Jerome H.; Saul, Venner W.

    2017-07-11

    Linear shaped charges are described herein. In a general embodiment, the linear shaped charge has an explosive with an elongated arrowhead-shaped profile. The linear shaped charge also has and an elongated v-shaped liner that is inset into a recess of the explosive. Another linear shaped charge includes an explosive that is shaped as a star-shaped prism. Liners are inset into crevices of the explosive, where the explosive acts as a tamper.

  3. Charge Transport in Electrostatic Radiography.

    Science.gov (United States)

    Fallone, B. Gino

    A new analytical hyperbolic expression is presented to describe the full saturation curve of parallel-plate ionization chambers filled with air or with high atomic number gases at elevated pressures. It is shown that all parameters of the saturation curve expression can be calculated from one single measurement of ionization current at a given electric field and air gap thickness. Isothermal charge deposition on polymers to form stable foil electrets by using an apparatus resembling parallel-plate ionization chambers is reported. Charge carriers produced by irradiation of the sensitive air volume drift in the externally applied electric field and get trapped on the polymer surface to form electrets. The time dependence of the polarization and depolarization current densities, the effective electric field in the electret chamber, and the electret surface charge densities are presented for the radiation-induced foil electret and an excellent agreement is obtained with the measured electret data. The theory of linear systems is used to derive the electric field and potential in distance space in the electret chamber. The charging characteristics of ionographi latent images are discussed in terms of saturation characteristics of ionographic chambers. The minimum applied electric field needed for an optimized charge collection in the ionographic chamber is presented in terms of both the electret characteristic polarization time and the electret relaxation time. The feasibility of radiographic image subtraction based on electrostatic imaging techniques is demonstrated. Latent image charging at one polarity corresponding to the production of the primary image, and latent image discharging with the opposite chamber polarity, are used to create the final image representing the region of interest.

  4. Spacecraft Charging Technology, 1980

    Science.gov (United States)

    1981-01-01

    The third Spacecraft Charging Technology Conference proceedings contain 66 papers on the geosynchronous plasma environment, spacecraft modeling, charged particle environment interactions with spacecraft, spacecraft materials characterization, and satellite design and testing. The proceedings is a compilation of the state of the art of spacecraft charging and environmental interaction phenomena.

  5. Epigenome targeting by probiotic metabolites

    Directory of Open Access Journals (Sweden)

    Licciardi Paul V

    2010-12-01

    Full Text Available Abstract Background The intestinal microbiota plays an important role in immune development and homeostasis. A disturbed microbiota during early infancy is associated with an increased risk of developing inflammatory and allergic diseases later in life. The mechanisms underlying these effects are poorly understood but are likely to involve alterations in microbial production of fermentation-derived metabolites, which have potent immune modulating properties and are required for maintenance of healthy mucosal immune responses. Probiotics are beneficial bacteria that have the capacity to alter the composition of bacterial species in the intestine that can in turn influence the production of fermentation-derived metabolites. Principal among these metabolites are the short-chain fatty acids butyrate and acetate that have potent anti-inflammatory activities important in regulating immune function at the intestinal mucosal surface. Therefore strategies aimed at restoring the microbiota profile may be effective in the prevention or treatment of allergic and inflammatory diseases. Presentation of the hypothesis Probiotic bacteria have diverse effects including altering microbiota composition, regulating epithelial cell barrier function and modulating of immune responses. The precise molecular mechanisms mediating these probiotic effects are not well understood. Short-chain fatty acids such as butyrate are a class of histone deacetylase inhibitors important in the epigenetic control of host cell responses. It is hypothesized that the biological function of probiotics may be a result of epigenetic modifications that may explain the wide range of effects observed. Studies delineating the effects of probiotics on short-chain fatty acid production and the epigenetic actions of short-chain fatty acids will assist in understanding the association between microbiota and allergic or autoimmune disorders. Testing the hypothesis We propose that treatment with

  6. Purine metabolites in fibromyalgia syndrome.

    Science.gov (United States)

    Fais, A; Cacace, E; Corda, M; Era, B; Peri, M; Utzeri, S; Ruggiero, V

    2013-01-01

    To evaluate serum purine metabolite concentrations in patients affected by fibromyalgia syndrome (FMS) and the relationships between their levels and FM clinical parameters. Serum purine levels were quantified using LC/UV-vis in 22 fibromyalgic females (according to the American College of Rheumatology classification criteria) and 22 healthy females. Significantly higher serum inosine, hypoxanthine and xanthine levels (pFibromyalgia Impact Questionnaire (FIQ). Study results suggest that purines, in particular adenosine and inosine, may be involved in pain transmission in fibromyalgia. Copyright © 2012 The Canadian Society of Clinical Chemists. Published by Elsevier Inc. All rights reserved.

  7. The secondary metabolite bioinformatics portal

    DEFF Research Database (Denmark)

    Weber, Tilmann; Kim, Hyun Uk

    2016-01-01

    . In this context, this review gives a summary of tools and databases that currently are available to mine, identify and characterize natural product biosynthesis pathways and their producers based on ‘omics data. A web portal called Secondary Metabolite Bioinformatics Portal (SMBP at http......://www.secondarymetabolites.org) is introduced to provide a one-stop catalog and links to these bioinformatics resources. In addition, an outlook is presented how the existing tools and those to be developed will influence synthetic biology approaches in the natural products field....

  8. Charged particle detector

    International Nuclear Information System (INIS)

    Hagen, R.D.

    1975-01-01

    A device for detecting the emission of charged particles from a specimen is described. The specimen is placed within an accumulator means which statically accumulates any charged particles emitted from the specimen. The accumulator means is pivotally positioned between a first capacitor plate having a positive electrical charge and a second capacitor plate having a negative electrical charge. The accumulator means is attracted to one capacitor plate and repelled from the other capacitor plate by an amount proportional to the amount and intensity of charged particles emitted by the specimen. (auth)

  9. Space Charge Effects

    CERN Document Server

    Ferrario, M.; Palumbo, L.

    2014-12-19

    The space charge forces are those generated directly by the charge distribution, with the inclusion of the image charges and currents due to the interaction of the beam with a perfectly conducting smooth pipe. Space charge forces are responsible for several unwanted phenomena related to beam dynamics, such as energy loss, shift of the synchronous phase and frequency , shift of the betatron frequencies, and instabilities. We will discuss in this lecture the main feature of space charge effects in high-energy storage rings as well as in low-energy linacs and transport lines.

  10. Metabolite Profiling of Red Sea Corals

    KAUST Repository

    Ortega, Jovhana Alejandra

    2016-12-01

    Looking at the metabolite profile of an organism provides insights into the metabolomic state of a cell and hence also into pathways employed. Little is known about the metabolites produced by corals and their algal symbionts. In particular, corals from the central Red Sea are understudied, but interesting study objects, as they live in one of the warmest and most saline environments and can provide clues as to the adjustment of corals to environmental change. In this study, we applied gas chromatography – mass spectrometry (GC–MS) metabolite profiling to analyze the metabolic profile of four coral species and their associated symbionts: Fungia granulosa, Acropora hemprichii, Porites lutea, and Pocillopora verrucosa. We identified and quantified 102 compounds among primary and secondary metabolites across all samples. F. granulosa and its symbiont showed a total of 59 metabolites which were similar to the 51 displayed by P. verrucosa. P. lutea and A. hemprichii both harbored 40 compounds in conjunction with their respective isolated algae. Comparing across species, 28 metabolites were exclusively present in algae, while 38 were exclusive to corals. A principal component and cluster analyses revealed that metabolite profiles clustered between corals and algae, but each species harbored a distinct catalog of metabolites. The major classes of compounds were carbohydrates and amino acids. Taken together, this study provides a first description of metabolites of Red Sea corals and their associated symbionts. As expected, the metabolites of coral hosts differ from their algal symbionts, but each host and algal species harbor a unique set of metabolites. This corroborates that host-symbiont species pairs display a fine-tuned complementary metabolism that provide insights into the specific nature of the symbiosis. Our analysis also revealed aquatic pollutants, which suggests that metabolite profiling might be used for monitoring pollution levels and assessing

  11. of Several Organophosphorus Insecticide Metabolites

    Directory of Open Access Journals (Sweden)

    Russell L. Carr

    2015-01-01

    Full Text Available Paraoxonase (PON1 is a calcium dependent enzyme that is capable of hydrolyzing organophosphate anticholinesterases. PON1 activity is present in most mammals and previous research established that PON1 activity differs depending on the species. These studies mainly used the organophosphate substrate paraoxon, the active metabolite of the insecticide parathion. Using serum PON1 from different mammalian species, we compared the hydrolysis of paraoxon with the hydrolysis of the active metabolites (oxons of two additional organophosphorus insecticides, methyl parathion and chlorpyrifos. Paraoxon hydrolysis was greater than that of methyl paraoxon, but the level of activity between species displayed a similar pattern. Regardless of the species tested, the hydrolysis of chlorpyrifos-oxon was significantly greater than that of paraoxon or methyl paraoxon. These data indicate that chlorpyrifos-oxon is a better substrate for PON1 regardless of the species. The pattern of species differences in PON1 activity varied with the change in substrate to chlorpyrifos-oxon from paraoxon or methyl paraoxon. For example, the sex difference observed here and reported elsewhere in the literature for rat PON1 hydrolysis of paraoxon was not present when chlorpyrifos-oxon was the substrate.

  12. Metabolites from Alternaria Fungi and Their Bioactivities

    Directory of Open Access Journals (Sweden)

    Ligang Zhou

    2013-05-01

    Full Text Available Alternaria is a cosmopolitan fungal genus widely distributing in soil and organic matter. It includes saprophytic, endophytic and pathogenic species. At least 268 metabolites from Alternaria fungi have been reported in the past few decades. They mainly include nitrogen-containing metabolites, steroids, terpenoids, pyranones, quinones, and phenolics. This review aims to briefly summarize the structurally different metabolites produced by Alternaria fungi, as well as their occurrences, biological activities and functions. Some considerations related to synthesis, biosynthesis, production and applications of the metabolites from Alternaria fungi are also discussed.

  13. Semen quality in Peruvian pesticide applicators: association between urinary organophosphate metabolites and semen parameters

    Directory of Open Access Journals (Sweden)

    Gasco Manuel

    2008-11-01

    Full Text Available Abstract Background Organophosphates are broad class of chemicals widely used as pesticides throughout the world. We performed a cross-sectional study of associations between dialkylphosphate metabolites of organophosphates and semen quality among pesticide applicators in Majes (Arequipa, Peru. Methods Thirty-one men exposed to organophosphate (OP pesticides and 31 non-exposed were recruited (age, 20–60 years. In exposed subjects, semen and a blood sample were obtained one day after the last pesticide application. Subjects were grouped according to levels of OP metabolites in urine. Semen samples were analyzed for sperm concentration, percentage of sperm motility, percentage of normal morphology, semen leucocytes and concentrations of fructose and zinc. Exposure to OP was assessed by measuring six urinary OP metabolites (dimethyl and diethyl phosphates and thiophosphates by gas chromatography using a single flame photometric detector. Results Diethyldithiophosphate (p = 0.04 and diethylthiophosphate (p = 0.02 better reflected occupational pesticide exposure than other OP metabolites. Semen analysis revealed a significant reduction of semen volume and an increase in semen pH in men with OP metabolites. Multiple regression analysis showed that both occupational exposure to pesticides and the time of exposure to pesticides were more closely related to alterations in semen quality parameters than the single measurement of OP metabolites in urine. Conclusion The study demonstrated that occupational exposure to OP pesticides was more closely related to alterations in semen quality than a single measurement of urine OP metabolites. Current measurement of OP metabolites in urine may not reflect the full risk.

  14. ABC's of pion charge exchange

    International Nuclear Information System (INIS)

    Gibbs, W.R.; Kaufmann, W.B.; Siegel, P.B.

    1985-01-01

    Calculations of pion single charge exchange using the PWIA and DWIA are presented. Emphasis is given to the effects of absorbtion and blocking. A microscopic calculation of the 0 0 excitation and low energy angular distribution is in excellent agreement with the data. A fixed nucleon multiple scattering calculation of the pion double charge exchange reaction is presented. Various valence neutron wave functions are used, and the contributions of different spatial orientations of the last two neutrons to the reaction are examined. The DCX cross section is found to be very sensitive to the inclusion of correlations in the two-neutron wave function. Satisfactory agreement with DCX data on 14 C can be obtained using a nucleonic picture of the nucleus

  15. Correcting ligands, metabolites, and pathways

    Directory of Open Access Journals (Sweden)

    Vriend Gert

    2006-11-01

    Full Text Available Abstract Background A wide range of research areas in bioinformatics, molecular biology and medicinal chemistry require precise chemical structure information about molecules and reactions, e.g. drug design, ligand docking, metabolic network reconstruction, and systems biology. Most available databases, however, treat chemical structures more as illustrations than as a datafield in its own right. Lack of chemical accuracy impedes progress in the areas mentioned above. We present a database of metabolites called BioMeta that augments the existing pathway databases by explicitly assessing the validity, correctness, and completeness of chemical structure and reaction information. Description The main bulk of the data in BioMeta were obtained from the KEGG Ligand database. We developed a tool for chemical structure validation which assesses the chemical validity and stereochemical completeness of a molecule description. The validation tool was used to examine the compounds in BioMeta, showing that a relatively small number of compounds had an incorrect constitution (connectivity only, not considering stereochemistry and that a considerable number (about one third had incomplete or even incorrect stereochemistry. We made a large effort to correct the errors and to complete the structural descriptions. A total of 1468 structures were corrected and/or completed. We also established the reaction balance of the reactions in BioMeta and corrected 55% of the unbalanced (stoichiometrically incorrect reactions in an automatic procedure. The BioMeta database was implemented in PostgreSQL and provided with a web-based interface. Conclusion We demonstrate that the validation of metabolite structures and reactions is a feasible and worthwhile undertaking, and that the validation results can be used to trigger corrections and improvements to BioMeta, our metabolite database. BioMeta provides some tools for rational drug design, reaction searches, and

  16. Antimycobacterial Metabolites from Marine Invertebrates.

    Science.gov (United States)

    Daletos, Georgios; Ancheeva, Elena; Chaidir, Chaidir; Kalscheuer, Rainer; Proksch, Peter

    2016-10-01

    Marine organisms play an important role in natural product-based drug research due to accumulation of structurally unique and bioactive metabolites. The exploration of marine-derived compounds may significantly extend the scientific knowledge of potential scaffolds for antibiotic drug discovery. Development of novel antitubercular agents is especially significant as the emergence of drug-resistant Mycobacterium tuberculosis strains remains threateningly high. Marine invertebrates (i.e., sponges, corals, gorgonians) as a source of new chemical entities are the center of research for several scientific groups, and the wide spectrum of biological activities of marine-derived compounds encourages scientists to carry out investigations in the field of antibiotic research, including tuberculosis treatment. The present review covers published data on antitubercular natural products from marine invertebrates grouped according to their biogenetic origin. Studies on the structure-activity relationships of these important leads are highlighted as well. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Microsomal metabolism of trenbolone acetate metabolites ...

    Science.gov (United States)

    Trenbolone acetate (TBA) is a synthetic growth promoter widely used in animal agriculture, and its metabolites are suspected endocrine disrupting compounds in agriculturally impacted receiving waters. However, beyond the three widely recognized TBA metabolites (17-trenbolone, 17-trenbolone and trendione), little is known about other metabolites formed in vivo and subsequently discharged into the environment, with some evidence suggesting these unknown metabolites comprise a majority of the TBA mass dosed to the animal. Here, we explored the metabolism of the three known TBA metabolites using rat liver microsome studies. All TBA metabolites are transformed into a complex mixture of monohydroxylated products. Based on product characterization, the majority are more polar than the parent metabolites but maintain their characteristic trienone backbone. A minor degree of interconversion between known metabolites was also observed, as were higher order hydroxylated products with a greater extent of reaction. Notably, the distribution and yield of products were generally comparable across a series of variably induced rat liver microsomes, as well as during additional studies with human and bovine liver microsomes. Bioassays conducted with mixtures of these transformation products suggest that androgen receptor (AR) binding activity is diminished as a result of the microsomal treatment, suggesting that the transformation products are generally less potent than

  18. Biochemical and secondary metabolites changes under moisture ...

    African Journals Online (AJOL)

    The study showed the importance of carbohydrate and nitrogen cycle related metabolites in mediating tolerance in cassava by affecting their phenotypic expression in the plant. Keywords: Hydrothermal stress, bio-chemicals, pigments, secondary metabolites, cassava. African Journal of Biotechnology, Vol 13(31) 3173-3186 ...

  19. Structure Elucidation of Unknown Metabolites in Metabolomics by Combined NMR and MS/MS Prediction.

    Science.gov (United States)

    Boiteau, Rene M; Hoyt, David W; Nicora, Carrie D; Kinmonth-Schultz, Hannah A; Ward, Joy K; Bingol, Kerem

    2018-01-17

    We introduce a cheminformatics approach that combines highly selective and orthogonal structure elucidation parameters; accurate mass, MS/MS (MS²), and NMR into a single analysis platform to accurately identify unknown metabolites in untargeted studies. The approach starts with an unknown LC-MS feature, and then combines the experimental MS/MS and NMR information of the unknown to effectively filter out the false positive candidate structures based on their predicted MS/MS and NMR spectra. We demonstrate the approach on a model mixture, and then we identify an uncatalogued secondary metabolite in Arabidopsis thaliana . The NMR/MS² approach is well suited to the discovery of new metabolites in plant extracts, microbes, soils, dissolved organic matter, food extracts, biofuels, and biomedical samples, facilitating the identification of metabolites that are not present in experimental NMR and MS metabolomics databases.

  20. Selected Secondary Plant Metabolites for Cancer Therapy

    Directory of Open Access Journals (Sweden)

    Simone Fulda

    2015-01-01

    Full Text Available Secondary plant metabolites reveal numerous biological activities making them attractive as resource for drug development of human diseases. As the majority of cancer drugs clinically established during the past half century is derived from nature, cancer researchers worldwide try to identify novel natural products as lead compounds for cancer therapy. Natural products are considered as promising cancer therapeutics, either as single agents or in combination protocols, to enhance the antitumor activity of additional therapeutic modalities. Most natural compounds exert pleotrophic effects and modulate various signal transduction pathways. A better understanding of the complex mechanisms of action of natural products is expected to open new perspectives in coming years for their use alone or in combination therapies in oncology. Two major strategies to identify novel drug candidates from nature are the bioactivity-guided fractionation of medicinal plant extracts to isolate cytotoxic chemicals and the identification of small molecules inhibiting specific targets in cancer cells. In the present review, we report on our own efforts to unravel the molecular modes of action of phytochemicals in cancer cells and focus on resveratrol, betulinic acid, artesunate, dicentrine and camptothecin derivatives.

  1. Evaluation of Extraction Protocols for Simultaneous Polar and Non-Polar Yeast Metabolite Analysis Using Multivariate Projection Methods

    Directory of Open Access Journals (Sweden)

    Nicolas P. Tambellini

    2013-07-01

    Full Text Available Metabolomic and lipidomic approaches aim to measure metabolites or lipids in the cell. Metabolite extraction is a key step in obtaining useful and reliable data for successful metabolite studies. Significant efforts have been made to identify the optimal extraction protocol for various platforms and biological systems, for both polar and non-polar metabolites. Here we report an approach utilizing chemoinformatics for systematic comparison of protocols to extract both from a single sample of the model yeast organism Saccharomyces cerevisiae. Three chloroform/methanol/water partitioning based extraction protocols found in literature were evaluated for their effectiveness at reproducibly extracting both polar and non-polar metabolites. Fatty acid methyl esters and methoxyamine/trimethylsilyl derivatized aqueous compounds were analyzed by gas chromatography mass spectrometry to evaluate non-polar or polar metabolite analysis. The comparative breadth and amount of recovered metabolites was evaluated using multivariate projection methods. This approach identified an optimal protocol consisting of 64 identified polar metabolites from 105 ion hits and 12 fatty acids recovered, and will potentially attenuate the error and variation associated with combining metabolite profiles from different samples for untargeted analysis with both polar and non-polar analytes. It also confirmed the value of using multivariate projection methods to compare established extraction protocols.

  2. A method for charging a test carrier and a test carrier

    DEFF Research Database (Denmark)

    2014-01-01

    A method of charging a substrate with a plurality of through-going bores and a charged substrate, where the substrate is charged with a liquid comprising particles in a concentration resulting in a high percentage of bores charged with liquid with only a single particle therein....

  3. GPCR-Mediated Signaling of Metabolites

    DEFF Research Database (Denmark)

    Husted, Anna Sofie; Trauelsen, Mette; Rudenko, Olga

    2017-01-01

    In addition to their bioenergetic intracellular function, several classical metabolites act as extracellular signaling molecules activating cell-surface G-protein-coupled receptors (GPCRs), similar to hormones and neurotransmitters. "Signaling metabolites" generated from nutrients or by gut...... microbiota target primarily enteroendocrine, neuronal, and immune cells in the lamina propria of the gut mucosa and the liver and, through these tissues, the rest of the body. In contrast, metabolites from the intermediary metabolism act mainly as metabolic stress-induced autocrine and paracrine signals...... in adipose tissue, the liver, and the endocrine pancreas. Importantly, distinct metabolite GPCRs act as efficient pro- and anti-inflammatory regulators of key immune cells, and signaling metabolites may thus function as important drivers of the low-grade inflammation associated with insulin resistance...

  4. Contractor Software Charges

    National Research Council Canada - National Science Library

    Granetto, Paul

    1994-01-01

    .... Examples of computer software costs that contractors charge through indirect rates are material management systems, security systems, labor accounting systems, and computer-aided design and manufacturing...

  5. Removal of uremic retention products by hemodialysis is coupled with indiscriminate loss of vital metabolites.

    Science.gov (United States)

    Zhang, Zhi-Hao; Mao, Jia-Rong; Chen, Hua; Su, Wei; Zhang, Yuan; Zhang, Li; Chen, Dan-Qian; Zhao, Ying-Yong; Vaziri, Nosratola D

    2017-12-01

    Although dialysis ameliorates uremia and fluid and electrolytes disorders, annual mortality rate remains high in dialysis population reflecting its shortcoming in replacing renal function. Unlike the normal kidney, dialysis causes dramatic shifts in volume and composition of body fluids and indiscriminate removal of vital solutes. Present study was undertaken to determine the impact of hemodialysis on plasma metabolites in end-stage renal disease (ESRD) patients. 80 hemodialysis patients and 80 age/gender-matched healthy controls were enrolled in the study. Using ultra performance liquid chromatography-high-definition mass spectrometry, we measured plasma metabolites before, during, and after hemodialysis procedure and in blood entering and leaving the dialysis filter. Principal component analysis revealed significant difference in concentration of 214 metabolites between healthy control and ESRD patients' pre-dialysis plasma (126 increased and 88 reduced in ESRD group). Comparison of post-dialysis with pre-dialysis data revealed significant changes in the 362 metabolites. Among ESI + metabolites 195 decreased and 55 increased and among ESI - metabolites 82 decreased and 30 increased following hemodialysis. Single blood passage through the dialyzer caused significant changes in 323 metabolites. Comparison of ESRD patients' post-hemodialysis with healthy subjects' data revealed marked differences in metabolic profiles. We identified 55 of the 362 differential metabolites including well known uremic toxins, waste products and vital biological compounds. In addition to uremic toxins and waste products hemodialysis removes large number of identified and as-yet un-identified metabolites. Depletion of vital biological compounds by dialysis may contribute to the high morbidity and annual mortality rate in this population. Copyright © 2017 The Canadian Society of Clinical Chemists. Published by Elsevier Inc. All rights reserved.

  6. Twenty-four-hour rhythmicity of circulating metabolites: effect of body mass and type 2 diabetes.

    Science.gov (United States)

    Isherwood, Cheryl M; Van der Veen, Daan R; Johnston, Jonathan D; Skene, Debra J

    2017-12-01

    Metabolic profiling of individuals with type 2 diabetes mellitus (T2DM) has previously been limited to single-time-point samples, ignoring time-of-day variation. Here, we tested our hypothesis that body mass and T2DM affect daily rhythmicity and concentrations of circulating metabolites across a 24-h day in 3 age-matched, male groups-lean, overweight/obese (OW/OB), and OW/OB with T2DM-in controlled laboratory conditions, which were not confounded by large meals. By using targeted liquid chromatography/mass spectrometry metabolomics, we quantified 130 plasma metabolites every 2 h over 24 h, and we show that average metabolite concentrations were significantly altered by increased body mass (90 of 130) and T2DM (56 of 130). Thirty-eight percent of metabolites exhibited daily rhythms in at least 1 study group, and where a metabolite was rhythmic in >1 group, its peak time was comparable. The optimal time of day was assessed to provide discriminating biomarkers. This differed between metabolite classes and study groups-for example, phospholipids showed maximal difference at 5:00 AM (lean vs. OW/OB) and at 5:00 PM (OW/OB vs. T2DM). Metabolites that were identified with both robust 24-h rhythms and significant concentration differences between study groups emphasize the importance of controlling the time of day for diagnosis and biomarker discovery, offering a significant improvement over current single sampling.-Isherwood, C. M., Van der Veen, D. R., Johnston, J. D., Skene, D. J. Twenty-four-hour rhythmicity of circulating metabolites: effect of body mass and type 2 diabetes. © The Author(s).

  7. Complicating factors in safety testing of drug metabolites: Kinetic differences between generated and preformed metabolites

    International Nuclear Information System (INIS)

    Prueksaritanont, Thomayant; Lin, Jiunn H.; Baillie, Thomas A.

    2006-01-01

    This paper aims to provide a scientifically based perspective on issues surrounding the proposed toxicology testing of synthetic drug metabolites as a means of ensuring adequate nonclinical safety evaluation of drug candidates that generate metabolites considered either to be unique to humans or are present at much higher levels in humans than in preclinical species. We put forward a number of theoretical considerations and present several specific examples where the kinetic behavior of a preformed metabolite given to animals or humans differs from that of the corresponding metabolite generated endogenously from its parent. The potential ramifications of this phenomenon are that the results of toxicity testing of the preformed metabolite may be misleading and fail to characterize the true toxicological contribution of the metabolite when formed from the parent. It is anticipated that such complications would be evident in situations where (a) differences exist in the accumulation of the preformed versus generated metabolites in specific tissues, and (b) the metabolite undergoes sequential metabolism to a downstream product that is toxic, leading to differences in tissue-specific toxicity. Owing to the complex nature of this subject, there is a need to treat drug metabolite issues in safety assessment on a case-by-case basis, in which a knowledge of metabolite kinetics is employed to validate experimental paradigms that entail administration of preformed metabolites to animal models

  8. Complicating factors in safety testing of drug metabolites: kinetic differences between generated and preformed metabolites.

    Science.gov (United States)

    Prueksaritanont, Thomayant; Lin, Jiunn H; Baillie, Thomas A

    2006-12-01

    This paper aims to provide a scientifically based perspective on issues surrounding the proposed toxicology testing of synthetic drug metabolites as a means of ensuring adequate nonclinical safety evaluation of drug candidates that generate metabolites considered either to be unique to humans or are present at much higher levels in humans than in preclinical species. We put forward a number of theoretical considerations and present several specific examples where the kinetic behavior of a preformed metabolite given to animals or humans differs from that of the corresponding metabolite generated endogenously from its parent. The potential ramifications of this phenomenon are that the results of toxicity testing of the preformed metabolite may be misleading and fail to characterize the true toxicological contribution of the metabolite when formed from the parent. It is anticipated that such complications would be evident in situations where (a) differences exist in the accumulation of the preformed versus generated metabolites in specific tissues, and (b) the metabolite undergoes sequential metabolism to a downstream product that is toxic, leading to differences in tissue-specific toxicity. Owing to the complex nature of this subject, there is a need to treat drug metabolite issues in safety assessment on a case-by-case basis, in which a knowledge of metabolite kinetics is employed to validate experimental paradigms that entail administration of preformed metabolites to animal models.

  9. A Search for Free Fractional Electric Charge Elementary Particles

    Energy Technology Data Exchange (ETDEWEB)

    Halyo, Valerie

    2000-12-04

    A direct search was carried out in bulk matter for free fractional electric charge elementary particles using the largest mass single sample ever studied--about 17.4 mg of silicone oil. The search used an improved and highly automated Millikan oil drop technique. No evidence for fractional charge particles was found. The concentration of particles with fractional charge more than 0.16 e (e being the magnitude of the electron charge) from the nearest integer charge is less than 4.71 x 10{sup -22} particles per nucleon with 95% confidence.

  10. A Search for Free Fractional Electric Charge Elementary Particles

    Energy Technology Data Exchange (ETDEWEB)

    Halyo, Valerie

    2000-12-04

    A direct search was carried out in bulk matter for free fractional electric charge elementary particles using the largest mass single sample ever studied| about 17.4 mg of silicone oil. The search used an improved and highly automated Millikan oil drop technique. No evidence for fractional charge particles was found. The concentration of particles with fractional charge more than 0.16 e (e being the magnitude of the electron charge) from the nearest integer charge is less than 4.71 x 10{sup -22} particles per nucleon with 95% confidence.

  11. Evidence of Space-Charge Effects in Thermal Poling

    DEFF Research Database (Denmark)

    Wu, X.; Arentoft, Jesper; Wong, D.

    1999-01-01

    The in situ thermal poling processes in germanosilicate fibers for positive and negative poling voltages are significantly different. Thermal poling of silica fibers consists of two processes: the faster linear process of charge migration and the subsequent single exponential process of charge...... ionization. Both the shielding electrical field due to charge migration and the ionization electrical field due to charge ionization are able to be frozen-in at room temperature acid lead to the residual linear electrooptic effects, The observations support that the mechanism of the induced electrooptic...... effects is based on space charge electrical fields instead of dipole/bond orientation....

  12. Charge Screening in a Charged Condensate

    International Nuclear Information System (INIS)

    Gabadadze, Gregory; Rosen, Rachel A.

    2009-01-01

    We consider a highly dense system of helium-4 nuclei and electrons in which the helium-4 nuclei have condensed. We present the condensation mechanism in the framework of low energy effective field theory and discuss the screening of electric charge in the condensate.

  13. Surface Charging and Points of Zero Charge

    CERN Document Server

    Kosmulski, Marek

    2009-01-01

    Presents Points of Zero Charge data on well-defined specimen of materials sorted by trademark, manufacturer, and location. This text emphasizes the comparison between particular results obtained for different portions of the same or very similar material and synthesizes the information published in research reports over the past few decades

  14. The radioimmunological determination of glibenclamide and its metabolites in serum

    International Nuclear Information System (INIS)

    Glogner, P.; Heni, N.; Nissen, L.

    1977-01-01

    This report describes a sensitive and specific radio-immunological method for determining serum levels of the 1-(p-[2- (5-chloro-2-methoxybenzamido) -ethyl]-benzenesulfonyl) -3-cyclohexylurea (clibenclamide) and its metabolites. The antigen was prepared by coupling a metabolite to bovine serum albumin. Antibodies could be demonstrated in serum after immunisation of rabbits. The separation of free and antibody-bound glibenclamide was achieved by a dextran-charcoal suspension. Presence of serum did not influence the binding characteristics. The limit of detection was 20 ng/ml. The affinity of the metabolites differed only slightly from that of glibenclamide. The presence of related drugs from the sulfonylurea series such as tolbutamide, glibornuride and the sulfonamide sulfamethoxazol did not affect the determination. Only closely related substances showed a variable degree of affinity towards antibodies. As an example of the possible application of this method, the serum concentration of glibenclamide was determined over a period of 8 h after single i.v. injection to a volunteer. The data are in close accordance with the results of authors using radioactive glibenclamide. (orig.) [de

  15. Slow charge movement in mammalian skeletal muscle.

    Science.gov (United States)

    Simon, B J; Beam, K G

    1985-01-01

    Voltage-dependent charge movements were measured in the rat omohyoid muscle with the three-microelectrode voltage-clamp technique. Contraction was abolished with hypertonic sucrose. The standard (ON-OFF) protocol for eliciting charge movements was to depolarize the fiber from -90 mV to a variable test potential (V) and then repolarize the fiber to -90 mV. The quantity of charge moved saturated at test potentials of approximately 0 mV. The steady state dependence of the amount of charge that moves as a function of test potential could be well fitted by the Boltzmann relation: Q = Qmax/(1 + exp[-(V - V)/k]), where Qmax is the maximum charge that can be moved, V is the potential at which half the charge moves, and k is a constant. At 15 degrees C, these values were Qmax = 28.5 nC/microF, V = -34.2 mV, and k = 8.7 mV. Qmax, k, and V exhibited little temperature dependence over the range 7-25 degrees C. "Stepped OFF" charge movements were elicited by depolarizing the fiber from -90 mV to a fixed conditioning level that moved nearly all the mobile charge (0 mV), and then repolarizing the fiber to varying test potentials. The sum of the charge that moved when the fiber was depolarized directly from -90 mV to a given test potential and the stepped OFF charge that moved when the fiber was repolarized to the same test potential had at all test potentials a value close to Qmax for that fiber. In nearly all cases, the decay phase of ON, OFF, and stepped OFF charge movements could be well fitted with a single exponential. The time constant, tau decay, for an ON charge movement at a given test potential was comparable to tau decay for a stepped OFF charge movement at the same test potential. Tau decay had a bell-shaped dependence on membrane potential: it was slowest at a potential near V (the midpoint of the steady state charge distribution) and became symmetrically faster on either side of this potential. Raising the temperature from 7 to 15 degrees C caused tau decay to

  16. Unilateral CHARGE association

    NARCIS (Netherlands)

    Trip, J; van Stuijvenberg, M; Dikkers, FG; Pijnenburg, MWH

    A case with a predominantly unilateral CHARGE association is reported. The CHARGE association refers to a combination of congenital malformations. This boy had left-sided anomalies consisting of choanal atresia. coloboma and peripheral facial palsy. The infant had a frontal encephalocele. an anomaly

  17. Biosynthesis of human diazepam and clonazepam metabolites.

    Science.gov (United States)

    de Paula, Núbia C; Araujo Cordeiro, Kelly C F; de Melo Souza, Paula L; Nogueira, Diogo F; da Silva e Sousa, Diego B; Costa, Maísa B; Noël, François; de Oliveira, Valéria

    2015-03-01

    A screening of fungal and microbial strains allowed to select the best microorganisms to produce in high yields some of the human metabolites of two benzodiazepine drugs, diazepam and clonazepam, in order to study new pharmacological activities and for chemical standard proposes. Among the microorganisms tested, Cunninghamella echinulata ATCC 9244 and Rhizopus arrhizus ATCC 11145 strains, were the most active producers of the mains metabolites of diazepam which included demethylated, hydroxylated derivatives. Beauveria bassiana ATCC 7159 and Chaetomium indicum LCP 984200 produced the 7 amino-clonazepam metabolite and a product of acid hydrolysis of this benzodiazepine. Copyright © 2015 Elsevier Ltd. All rights reserved.

  18. Charging a Capacitor with a Photovoltaic Module

    Science.gov (United States)

    Aguilar, Horacio Munguía; Maldonado, Rigoberto Franco; Navarro, Luis Barba

    2017-01-01

    Charging a capacitor with a photovoltaic module is an experiment which reveals a lot about the modules characteristics. It is customary to represent these characteristics with an equivalent circuit whose elements represent its physical parameters. The behavior of a photovoltaic module is very similar to that of a single cell but the electric…

  19. Selective Coherent Excitation of Charged Density Waves

    NARCIS (Netherlands)

    Tsvetkov, A.A.; Sagar, D.M.; Loosdrecht, P.H.M. van; Marel, D. van der

    2003-01-01

    Real time femtosecond pump-probe spectroscopy is used to study collective and single particle excitations in the charge density wave state of the quasi-1D metal, blue bronze. Along with the previously observed collective amplitudon excitation, the spectra show several additional coherent features.

  20. Charge Storage, Conductivity and Charge Profiles of Insulators As Related to Spacecraft Charging

    OpenAIRE

    Dennison, JR; Frederickson, A. R.; Swaminathan, Prasanna

    2003-01-01

    Dissipation of charges built up near the surface of insulators due to space environment interaction is central to understanding spacecraft charging. Conductivity of insulating materials is key to determine how accumulated charge will distribute across the spacecraft and how rapidly charge imbalance will dissipate. To understand these processes requires knowledge of how charge is deposited within the insulator, the mechanisms for charge trapping and charge transport within the insulator, and h...

  1. Disorder- and correlation-induced charge carriers localization in oxyborate MgFeBO{sub 4}, Mg{sub 0.5}Co{sub 0.5}FeBO{sub 4}, CoFeBO{sub 4} single crystals

    Energy Technology Data Exchange (ETDEWEB)

    Knyazev, Yu.V. [Siberian Federal University, 660074 Krasnoyarsk (Russian Federation); Kazak, N.V., E-mail: nat@iph.krasn.ru [Kirensky Institute of Physics, 660036 Krasnoyarsk (Russian Federation); Platunov, M.S. [Kirensky Institute of Physics, 660036 Krasnoyarsk (Russian Federation); Ivanova, N.B. [Siberian Federal University, 660074 Krasnoyarsk (Russian Federation); Bezmaternykh, L.N. [Kirensky Institute of Physics, 660036 Krasnoyarsk (Russian Federation); Arauzo, A. [Servicio de Medidas Físicas, Universidad de Zaragoza, 50009 Zaragoza (Spain); Bartolomé, J. [Instituto de Ciencia de Materiales de Aragón, CSIC-Universidad de Zaragoza and Departamento de Física de la Materia Condensada, 50009 Zaragoza (Spain); Ovchinnikov, S.G. [Siberian Federal University, 660074 Krasnoyarsk (Russian Federation); Kirensky Institute of Physics, 660036 Krasnoyarsk (Russian Federation); Siberian State Aerospace University, 660014 Krasnoyarsk (Russian Federation)

    2015-09-05

    Highlights: • The electrical resistance of the single crystalline warwickites has been measured. • The temperature-induced changes in the charge transfer mechanisms have been found. • The microscopic parameters of the electronic structure have been determined. • The studied warwickites have been classified as disordered correlated systems. • The Co substitution was found to lead to the weakening of the localization. - Abstract: The temperature dependence of the resistivity of single crystalline Mg{sub 1−x}Co{sub x}FeBO{sub 4} samples with x = 0.0, 0.5, 1.0 is investigated for the temperature range (210–400 K). The conduction was found to be governed by Mott variable-range hopping (VRH) in the low-temperature range (T = 210–270 K) and by thermo-activation mechanism in the high-temperature range (T = 280–400 K). Microscopic electronic parameters, such as the density of the localized states near the Fermi level, localization length, the hopping length, and the activation energy have been obtained. The change of the activation energy observed at high-temperature range was attributed to local structure distortions around Fe and Co atoms. The complicated behavior of charge transfer mechanisms is discussed based on two approaches: atomic disorder and electron correlations.

  2. Caffeine metabolites not caffeine protect against riboflavin photosensitized oxidative damage related to skin and eye health.

    Science.gov (United States)

    Scurachio, R S; Mattiucci, F; Santos, W G; Skibsted, L H; Cardoso, D R

    2016-10-01

    Caffeine metabolites were found to bind riboflavin with dissociation constant in the millimolar region by an exothermic process with positive entropy of reaction, which was found by (1)H NMR and fluorescence spectroscopy to occur predominantly by hydrogen bonding with water being released from riboflavin solvation shell upon caffeine metabolite binding to riboflavin. The caffeine metabolites 1-methyl uric acid and 1,7-dimethyl uric acid were shown by transient absorption laser flash photolysis to be efficient as quenchers of triplet riboflavin with second-order rate constant of 1.4 10(8)Lmol(-1)s(-1) and 1.0 10(8)Lmol(-1)s(-1), respectively, in aqueous solution of pH6.4 at 25°C and more efficient than the other caffeine metabolite 1,7-dimethyl xanthine with second-order rate constant of 4.2 10(7)Lmol(-1)s(-1). Caffeine was in contrast found to be non-reactive towards triplet riboflavin. Caffeine metabolites rather than caffeine seem accordingly important for the observed protective effect against cutaneous melanoma identified for drinkers of regular but not of decaffeinated coffee. The caffeine metabolites, but not caffeine, were by time resolved single photon counting found to quench singlet excited riboflavin through exothermic formation of ground-state precursor complexes indicating importance of hydrogen bounding through keto-enol tautomer's for protection of oxidizable substrates and sensitive structures against riboflavin photosensitization. Copyright © 2016 Elsevier B.V. All rights reserved.

  3. Metabolites in Blood for Prediction of Bacteremic Sepsis in the Emergency Room.

    Directory of Open Access Journals (Sweden)

    Anna M Kauppi

    Full Text Available A metabolomics approach for prediction of bacteremic sepsis in patients in the emergency room (ER was investigated. In a prospective study, whole blood samples from 65 patients with bacteremic sepsis and 49 ER controls were compared. The blood samples were analyzed using gas chromatography coupled to time-of-flight mass spectrometry. Multivariate and logistic regression modeling using metabolites identified by chromatography or using conventional laboratory parameters and clinical scores of infection were employed. A predictive model of bacteremic sepsis with 107 metabolites was developed and validated. The number of metabolites was reduced stepwise until identifying a set of 6 predictive metabolites. A 6-metabolite predictive logistic regression model showed a sensitivity of 0.91(95% CI 0.69-0.99 and a specificity 0.84 (95% CI 0.58-0.94 with an AUC of 0.93 (95% CI 0.89-1.01. Myristic acid was the single most predictive metabolite, with a sensitivity of 1.00 (95% CI 0.85-1.00 and specificity of 0.95 (95% CI 0.74-0.99, and performed better than various combinations of conventional laboratory and clinical parameters. We found that a metabolomics approach for analysis of acute blood samples was useful for identification of patients with bacteremic sepsis. Metabolomics should be further evaluated as a new tool for infection diagnostics.

  4. Charge diffusion and the butterfly effect in striped holographic matter

    Energy Technology Data Exchange (ETDEWEB)

    Lucas, Andrew [Department of Physics, Harvard University,Cambridge, MA 02138 (United States); Department of Physics, Stanford University,Stanford, CA 94305 (United States); Steinberg, Julia [Department of Physics, Harvard University,Cambridge, MA 02138 (United States)

    2016-10-26

    Recently, it has been proposed that the butterfly velocity — a speed at which quantum information propagates — may provide a fundamental bound on diffusion constants in dirty incoherent metals. We analytically compute the charge diffusion constant and the butterfly velocity in charge-neutral holographic matter with long wavelength “hydrodynamic' disorder in a single spatial direction. In this limit, we find that the butterfly velocity does not set a sharp lower bound for the charge diffusion constant.

  5. Inclusive cross sections for pairs of identified light charged hadrons and for single protons in e+e at s=10.58GeV

    Energy Technology Data Exchange (ETDEWEB)

    Seidl, R.; Abdesselam, A.; Adachi, I.; Aihara, H.; Al Said, S.; Asner, D. M.; Aushev, T.; Ayad, R.; Babu, V.; Badhrees, I.; Bakich, A. M.; Barberio, E.; Bhardwaj, V.; Bhuyan, B.; Biswal, J.; Bozek, A.; Bračko, M.; Browder, T. E.; Červenkov, D.; Chekelian, V.; Chen, A.; Cheon, B. G.; Chilikin, K.; Cho, K.; Chobanova, V.; Choi, Y.; Cinabro, D.; Dalseno, J.; Dash, N.; Dingfelder, J.; Doležal, Z.; Drásal, Z.; Dutta, D.; Eidelman, S.; Farhat, H.; Fast, J. E.; Ferber, T.; Fulsom, B. G.; Gaur, V.; Gabyshev, N.; Garmash, A.; Gillard, R.; Giordano, F.; Goh, Y. M.; Goldenzweig, P.; Golob, B.; Haba, J.; Hara, T.; Hayasaka, K.; Hayashii, H.; He, X. H.; Hou, W. -S.; Hsu, C. -L.; Iijima, T.; Inami, K.; Ishikawa, A.; Itoh, R.; Iwasaki, Y.; Jacobs, W. W.; Jaegle, I.; Joffe, D.; Joo, K. K.; Kang, K. H.; Kato, E.; Katrenko, P.; Kawasaki, T.; Kim, D. Y.; Kim, H. J.; Kim, J. B.; Kim, J. H.; Kim, K. T.; Kim, M. J.; Kim, S. H.; Kim, Y. J.; Kodyš, P.; Korpar, S.; Križan, P.; Krokovny, P.; Kuzmin, A.; Kwon, Y. -J.; Lange, J. S.; Lee, D. H.; Li, L.; Li Gioi, L.; Libby, J.; Liu, Y.; Liventsev, D.; Lukin, P.; Masuda, M.; Matvienko, D.; Miyabayashi, K.; Miyake, H.; Miyata, H.; Mizuk, R.; Mohanty, S.; Moll, A.; Moon, H. K.; Mori, T.; Mussa, R.; Nakano, E.; Nakao, M.; Nanut, T.; Natkaniec, Z.; Nayak, M.; Niiyama, M.; Nisar, N. K.; Nishida, S.; Ogawa, S.; Okuno, S.; Oswald, C.; Pakhlov, P.; Pakhlova, G.; Pal, B.; Park, C. W.; Park, H.; Pedlar, T. K.; Pestotnik, R.; Petrič, M.; Piilonen, L. E.; Ribežl, E.; Ritter, M.; Rostomyan, A.; Ryu, S.; Sahoo, H.; Sakai, K.; Sakai, Y.; Sandilya, S.; Santelj, L.; Sanuki, T.; Savinov, V.; Schneider, O.; Schnell, G.; Schwanda, C.; Seino, Y.; Senyo, K.; Seon, O.; Sevior, M. E.; Shebalin, V.; Shibata, T. -A.; Shiu, J. -G.; Simon, F.; Sohn, Y. -S.; Sokolov, A.; Solovieva, E.; Starič, M.; Sumihama, M.; Sumisawa, K.; Sumiyoshi, T.; Tamponi, U.; Teramoto, Y.; Trusov, V.; Uchida, M.; Uglov, T.; Unno, Y.; Uno, S.; Usov, Y.; Van Hulse, C.; Vanhoefer, P.; Varner, G.; Vorobyev, V.; Vossen, A.; Wagner, M. N.; Wang, C. H.; Wang, M. -Z.; Wang, P.; Watanabe, M.; Watanabe, Y.; Williams, K. M.; Won, E.; Yamaoka, J.; Yashchenko, S.; Yelton, J.; Yusa, Y.; Zhang, Z. P.; Zhilich, V.; Zhulanov, V.

    2015-11-01

    We report the first double differential cross sections of two charged pions and kaons (e+e- ->hhX) in electron-positron annihilation as a function of the fractional energies of the two hadrons for any charge and hadron combination. The dependence of these di-hadron cross sections on the topology (same, opposite-hemisphere or anywhere) is also studied with the help of the event shape variable combinations directly shed light on the contributing fragmentation functions. For example, we find energies where disfavored fragmentation is expected to be suppressed. These di-hadron results are the KEKB asymmetric-energy e+e- collider. Extending the previously published single-pion and single-kaon cross sections, single-proton (e+e- -> pX) cross sections are extracted from a 159 fb^-1 data sub-sample.

  6. Role of protein surface charge in monellin sweetness.

    Science.gov (United States)

    Xue, Wei-Feng; Szczepankiewicz, Olga; Thulin, Eva; Linse, Sara; Carey, Jannette

    2009-03-01

    A small number of proteins have the unusual property of tasting intensely sweet. Despite many studies aimed at identifying their sweet taste determinants, the molecular basis of protein sweetness is not fully understood. Recent mutational studies of monellin have implicated positively charged residues in sweetness. In the present work, the effect of overall net charge was investigated using the complementary approach of negative charge alterations. Multiple substitutions of Asp/Asn and Glu/Gln residues radically altered the surface charge of single-chain monellin by removing six negative charges or adding four negative charges. Biophysical characterization using circular dichroism, fluorescence, and two-dimensional NMR demonstrates that the native fold of monellin is preserved in the variant proteins under physiological solution conditions although their stability toward chemical denaturation is altered. A human taste test was employed to determine the sweetness detection threshold of the variants. Removal of negative charges preserves monellin sweetness, whereas added negative charge has a large negative impact on sweetness. Meta-analysis of published charge variants of monellin and other sweet proteins reveals a general trend toward increasing sweetness with increasing positive net charge. Structural mapping of monellin variants identifies a hydrophobic surface predicted to face the receptor where introduced positive or negative charge reduces sweetness, and a polar surface where charges modulate long-range electrostatic complementarity.

  7. Charge gradient microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Roelofs, Andreas; Hong, Seungbum

    2018-02-06

    A method for rapid imaging of a material specimen includes positioning a tip to contact the material specimen, and applying a force to a surface of the material specimen via the tip. In addition, the method includes moving the tip across the surface of the material specimen while removing electrical charge therefrom, generating a signal produced by contact between the tip and the surface, and detecting, based on the data, the removed electrical charge induced through the tip during movement of the tip across the surface. The method further includes measuring the detected electrical charge.

  8. Coping with shrub secondary metabolites by ruminants

    Science.gov (United States)

    Rangelands throughout the world contain varying but often substantial proportions of shrubs. Shrubs are generally heavily chemically defended, and herbivores must either contend with their plant secondary metabolites (PSM) or avoid a significant component of the available forage. Browsing ruminants ...

  9. The Membrane Gradostat Reactor: Secondary metabolite production ...

    African Journals Online (AJOL)

    SERVER

    2007-05-16

    May 16, 2007 ... immobilise microbial cells or enzymes, depending on the bioreactor's application. Operational ... perspective. Key words: Membrane bioreactor, gradostat reactor, secondary metabolite production, biofilm, wastewater treatment. INTRODUCTION ... suitable to immobilize P. chrysosporium biofilms in MGR.

  10. Metabolite production by species of Stemphylium.

    Science.gov (United States)

    Olsen, Kresten Jon Kromphardt; Rossman, Amy; Andersen, Birgitte

    Morphology and phylogeny have been used to distinguish members of the plant pathogenic fungal genus Stemphylium. A third method for distinguishing species of fungi is by chemotaxonomy. The main goal of the present study was to investigate the chemical potential of Stemphylium via HPLC-UV-MS analysis, while also exploring the potential of chemotaxonomy as a robust identification method for Stemphylium. Several species were found to have species-specific metabolites, while other species were distinguishable by a broader metabolic profile rather than specific metabolites. Many previously described metabolites were found to be important for distinguishing species, while some unknown metabolites were also determined to have important roles in distinguishing species of Stemphylium. This study is the first of its kind to investigate the chemical potential of Stemphylium across the whole genus. Copyright © 2018 British Mycological Society. Published by Elsevier Ltd. All rights reserved.

  11. Charge equilibrium processes of energetic incident ions and their range

    International Nuclear Information System (INIS)

    Kawagoshi, Hiroshi; Karashima, Shosuke; Watanabe, Tsutomu.

    1984-01-01

    The charge state of energetic ions passing through a certain matter is varied by charge-exchange processes. A rate equation for charge fraction is given by using electron loss and capture cross sections in collision with a target atom under idealized condition. We solved the rate equation of the charge-exchange process of a single electron in a form of linear coupled differential equation. Our calcuiation for the range of ion were carried out for He, Ne and Ar ions passing through an atomic hydrogen gas target. We discuss the charge states of the projectile in relation to a local charge balance consituting a state of charge equilibrium in the target. (author)

  12. Biologically Active Secondary Metabolites from the Fungi.

    Science.gov (United States)

    Bills, Gerald F; Gloer, James B

    2016-11-01

    Many Fungi have a well-developed secondary metabolism. The diversity of fungal species and the diversification of biosynthetic gene clusters underscores a nearly limitless potential for metabolic variation and an untapped resource for drug discovery and synthetic biology. Much of the ecological success of the filamentous fungi in colonizing the planet is owed to their ability to deploy their secondary metabolites in concert with their penetrative and absorptive mode of life. Fungal secondary metabolites exhibit biological activities that have been developed into life-saving medicines and agrochemicals. Toxic metabolites, known as mycotoxins, contaminate human and livestock food and indoor environments. Secondary metabolites are determinants of fungal diseases of humans, animals, and plants. Secondary metabolites exhibit a staggering variation in chemical structures and biological activities, yet their biosynthetic pathways share a number of key characteristics. The genes encoding cooperative steps of a biosynthetic pathway tend to be located contiguously on the chromosome in coregulated gene clusters. Advances in genome sequencing, computational tools, and analytical chemistry are enabling the rapid connection of gene clusters with their metabolic products. At least three fungal drug precursors, penicillin K and V, mycophenolic acid, and pleuromutilin, have been produced by synthetic reconstruction and expression of respective gene clusters in heterologous hosts. This review summarizes general aspects of fungal secondary metabolism and recent developments in our understanding of how and why fungi make secondary metabolites, how these molecules are produced, and how their biosynthetic genes are distributed across the Fungi. The breadth of fungal secondary metabolite diversity is highlighted by recent information on the biosynthesis of important fungus-derived metabolites that have contributed to human health and agriculture and that have negatively impacted crops

  13. Functions of secondary metabolites of lichens

    OpenAIRE

    Zvěřinová, Gabriela

    2014-01-01

    This bachelor thesis is a review of available literature about lichen secondary metabolites and their functions. Lichens produce a great variety of these compounds; most of them are unique to the lichen symbiosis and are not found in higher plants. Besides the role of these compounds in chemotaxonomy and systematics, lichen secondary metabolites exhibit various biological functions and can affect biotic and abiotic interactions of lichens with their environment. Well-known and often described...

  14. Secondary metabolites in bryophytes: an ecological aspect.

    Science.gov (United States)

    Xie, Chun-Feng; Lou, Hong-Xiang

    2009-03-01

    Bryophytes frequently grow in an unfavorable environment as the earliest land plants, and inevitably biosynthesize secondary metabolites against biotic or abiotic stress. They not only defend against the plant competition, microbial attack, and insect or animal predation, but also function in UV protection, drought tolerance, and freezing survival. This review covers the ecological aspect of secondary metabolites in bryophytes and is taxonomically presented according to the ecological significances.

  15. Ecological role of a seaweed secondary metabolite for a colonizing bacterial community.

    Science.gov (United States)

    Persson, Frank; Svensson, Robin; Nylund, Goran M; Fredriksson, N Johan; Pavia, Henrik; Hermansson, Malte

    2011-07-01

    Bacteria associated with seaweeds can both harm and benefit their hosts. Many seaweed species are known to produce compounds that inhibit growth of bacterial isolates, but the ecological role of seaweed metabolites for the associated bacterial community structure is not well understood. In this study the response of a colonizing bacterial community to the secondary metabolite (1,1,3,3-tetrabromo-2-heptanone) from the red alga Bonnemaisonia hamifera was investigated by using field panels coated with the metabolite at a range of concentrations covering those measured at the algal surface. The seaweed metabolite has previously been shown to have antibacterial effects. The metabolite significantly affected the natural fouling community by (i) altering the composition, (ii) altering the diversity by increasing the evenness and (iii) decreasing the density, as measured by terminal restriction fragment length polymorphism in conjunction with clone libraries of the 16S rRNA genes and by bacterial enumeration. No single major bacterial taxon (phylum, class) was particularly affected by the metabolite. Instead changes in community composition were observed at a more detailed phylogenetic level. This indicates a broad specificity of the seaweed metabolite against bacterial colonization, which is supported by the observation that the bacterial density was significantly affected at a lower concentration (0.02 μg cm⁻²) than the composition (1-2.5 μg cm⁻²) and the evenness (5 μg cm⁻²) of the bacterial communities. Altogether, the results emphasize the role of secondary metabolites for control of the density and structure of seaweed-associated bacterial communities.

  16. Differentiation of clobenzorex use from amphetamine abuse using the metabolite 4-hydroxyclobenzorex.

    Science.gov (United States)

    Valtier, S; Cody, J T

    2000-10-01

    Clobenzorex (Asenlix) is an anorectic drug metabolized by the body to amphetamine, thus causing difficulty in the interpretation of amphetamine-positive drug tests. Previous studies have shown the parent drug and several metabolites are excreted in urine. Clobenzorex itself has been detected for as long as 29 h postdose using a detection limit of 1 ng/mL. Despite this fact, several amphetamine-positive samples (> or = 500 ng/mL) contained no detectable clobenzorex. Thus, the absence of clobenzorex in the urine does not exclude the possibility of its use. To more definitively assess the possibility of clobenzorex use, evaluation of another metabolite was considered. One study reported the presence of unidentified hydroxy metabolites of clobenzorex for as long as amphetamine was detected in some subjects. To assess the viability of using a hydroxy metabolite to confirm the use of clobenzorex in samples containing amphetamine, 4-hydroxyclobenzorex was synthesized for this study. This metabolite proved to be easily detected and was typically found at levels higher than amphetamine in amphetamine-positive urines, long after clobenzorex itself was no longer detected. Samples obtained from a controlled single-dose study involving the administration of clobenzorex (30 mg) were analyzed for the presence of the 4-hydroxy metabolite. The analytical procedure used acid hydrolysis followed by liquid-liquid extraction and analysis with gas chromatography-mass spectrometry by monitoring ions at m/z 125, 330, and 364. 4-Hydroxyclobenzorex and its 3-Cl regioisomer were used in the identification and quantitation of the metabolite. Peak concentrations of 4-hydroxyclobenzorex were found at approximately 1:30-5:00 h postdose and ranged from approximately 5705 to 88,410 ng/mL. Most importantly, however, all samples that contained amphetamine at > or = 500 ng/mL also contained detectable amounts of this hydroxy metabolite (LOD 10 ng/mL), making it a valuable tool in differentiating use

  17. New metabolites of hongdenafil, homosildenafil and hydroxyhomosildenafil.

    Science.gov (United States)

    Yeo, Miseon; Park, Yujin; Lee, Heesang; Choe, Sanggil; Baek, Seung-Hoon; Kim, Hye Kyung; Pyo, Jae Sung

    2018-02-05

    Recently, illegal sildenafil analogues have emerged, causing serious social issues. In spite of the importance of sildenafil analogues, their metabolic profiles or clinical effects have not been reported yet. In this study, new metabolites of illegal sildenafil analogues such as hongdenafil, homosildenafil, and hydroxyhomosildenafil were determined using liquid chromatography quadrupole-time of flight mass spectrometry (LC-Q-TOF-MS) and tandem mass spectrometry (LC-Q-TOF-MS/MS). To prepare metabolic samples, in vitro and in vivo studies were performed. For in vivo metabolites analysis, urine and feces samples of rats treated with sildenafil analogues were analyzed. For in vitro metabolites analysis, human liver microsomes incubated with sildenafil analogues were extracted and analyzed. All metabolites were characterized by LC-Q-TOF-MS and LC-Q-TOF-MS/MS. As a result, five, six, and seven metabolites were determined in hongdenafil, homosildenafil, and hydroxyhomosildenafil treated samples, respectively. These results could be applied to forensic science and other analytical fields. Moreover, these newly identified metabolites could be used as fundamental data to determine the side effect and toxicity of illegal sildenafil analogues. Copyright © 2017 Elsevier B.V. All rights reserved.

  18. Metabolites of cannabidiol identified in human urine.

    Science.gov (United States)

    Harvey, D J; Mechoulam, R

    1990-03-01

    1. Urine from a dystonic patient treated with cannabidiol (CBD) was examined by g.l.c.-mass spectrometry for CBD metabolites. Metabolites were identified as their trimethylsilyl (TMS), [2H9]TMS, and methyl ester/TMS derivatives and as the TMS derivatives of the product of lithium aluminium deuteride reduction. 2. Thirty-three metabolites were identified in addition to unmetabolized CBD, and a further four metabolites were partially characterized. 3. The major metabolic route was hydroxylation and oxidation at C-7 followed by further hydroxylation in the pentyl and propenyl groups to give 1"-, 2"-, 3"-, 4"- and 10-hydroxy derivatives of CBD-7-oic acid. Other metabolites, mainly acids, were formed by beta-oxidation and related biotransformations from the pentyl side-chain and these were also hydroxylated at C-6 or C-7. The major oxidized metabolite was CBD-7-oic acid containing a hydroxyethyl side-chain. 4. Two 8,9-dihydroxy compounds, presumably derived from the corresponding epoxide were identified. 5. Also present were several cyclized cannabinoids including delta-6- and delta-1-tetrahydrocannabinol and cannabinol. 6. This is the first metabolic study of CBD in humans; most observed metabolic routes were typical of those found for CBD and related cannabinoids in other species.

  19. Plant Micrometabolomics: The Analysis of Endogenous Metabolites Present in a Plant Cell or Tissue.

    NARCIS (Netherlands)

    Moco, S.I.A.; Schneider, B.; Vervoort, J.J.M.

    2009-01-01

    Identification and quantification of metabolites occurring within specific cell types or single cells of plants and other organisms is of particular interest for natural product chemistry, chemical ecology, and biochemistry in general. The integration of studies at the gene, transcript, protein and

  20. Charges for plastic bags : Motivational and behavioral effects

    NARCIS (Netherlands)

    Jakovcevic, Adriana; Steg, Linda; Mazzeo, Nadia; Caballero, Romina; Franco, Paul; Putrino, Natalia; Favara, Jesica

    2014-01-01

    Two field studies tested the effects of a charge for single-use plastic bags recently implemented in Buenos Aires City, Argentina. Study 1 showed a greater increase in consumers' own bag use after the charge was introduced in supermarkets where the policy was introduced, in comparison to control

  1. Analysis of electrostatic powder charging for fractionation of foods

    NARCIS (Netherlands)

    Wang, J.; Wit, de M.; Schutyser, M.A.I.; Boom, R.M.

    2014-01-01

    Electrostatic separation based on different tribo-electric charging behaviours of components has emerged as a novel, sustainable dry fractionation process. This study aims to characterise charging behaviour of single-component particles in nitrogen gas flowing through aluminium tubes. Experiments

  2. Electronic shell structure in multiply charged silver clusters

    International Nuclear Information System (INIS)

    Kandler, O.; Athanassenas, K.; Echt, O.; Kreisle, D.; Leisner, T.; Recknagel, E.

    1991-01-01

    Silver clusters are generated by standard laser vaporization technique and ionized via multiphoton ionization. Time-of-flight mass spectrometry reveals singly, doubly and triply charged clusters, Ag n z+ (z=1, 2, 3). The spectra show, for all charge states, intensity variations, indicating enhanced stabilities for cluster sizes with closed electronic configurations in accord with the spherical jellium model. (orig.)

  3. Cost Monotonic "Cost and Charge" Rules for Connection Situations

    NARCIS (Netherlands)

    Moretti, S.; Tijs, S.H.; Brânzei, R.; Norde, H.W.

    2005-01-01

    The special class of conservative charge systems for minimum cost spanning tree (mcst) situations is introduced.These conservative charge systems lead to single-valued rules for mcst situations, which can also be described with the aid of obligation functions and are, consequently, cost monotonic.A

  4. Radiation by moving charges

    International Nuclear Information System (INIS)

    Geloni, Gianluca; Kocharyan, Vitali; Saldin, Evgeni

    2017-04-01

    It is generally accepted that in order to describe the dynamics of relativistic particles in the laboratory (lab) frame it is sufficient to take into account the relativistic dependence of the particle momenta on the velocity. This solution of the dynamics problem in the lab frame makes no reference to Lorentz transformations. For this reason they are not discussed in particle tracking calculations in accelerator and plasma physics. It is generally believed that the electrodynamics problem can be treated within the same ''single inertial frame'' description without reference to Lorentz transformations. In particular, in order to evaluate radiation fields arising from charged particles in motion we need to know their velocities and positions as a function of the lab frame time t. The relativistic motion of a particle in the lab frame is described by Newton's second law ''corrected'' for the relativistic dependence of momentum on velocity. It is assumed in all standard derivations that one can perform identification of the trajectories in the source part of the usual Maxwell's equations with the trajectories vector x(t) measured (or calculated by using the corrected Newton's second law) in the lab frame. This way of coupling fields and particles is considered since more than a century as the relativistically correct procedure.We argue that this procedure needs to be changed, and we demonstrate the following, completely counterintuitive statement: the results of conventional theory of radiation by relativistically moving charges are not consistent with the principle of relativity. In order to find the trajectory of a particle in the lab frame consistent with the usual Maxwell's equations, one needs to solve the dynamic equation inmanifestly covariant form by using the coordinate-independent proper time τ to parameterize the particle world-line in space-time. We show that there is a difference between &apos

  5. Water Quality Protection Charges

    Data.gov (United States)

    Montgomery County of Maryland — The Water Quality Protection Charge (WQPC) is a line item on your property tax bill. WQPC funds many of the County's clean water initiatives including: • Restoration...

  6. Space-Charge Effect

    CERN Document Server

    Chauvin, N.

    2013-12-16

    First, this chapter introduces the expressions for the electric and magnetic space-charge internal fields and forces induced by high-intensity beams. Then, the root-mean-square equation with space charge is derived and discussed. In the third section, the one-dimensional Child-Langmuir law, which gives the maximum current density that can be extracted from an ion source, is exposed. Space-charge compensation can occur in the low-energy beam transport lines (located after the ion source). This phenomenon, which counteracts the spacecharge defocusing effect, is explained and its main parameters are presented. The fifth section presents an overview of the principal methods to perform beam dynamics numerical simulations. An example of a particles-in-cells code, SolMaxP, which takes into account space-charge compensation, is given. Finally, beam dynamics simulation results obtained with this code in the case of the IFMIF injector are presented.

  7. Electric charge quantization

    International Nuclear Information System (INIS)

    Foot, R.; Lew, H.; Volkas, R.R.

    1992-06-01

    Experimentally it has been known for a long time that the electric charges of the observed particles appear to be quantized. An approach to understanding electric charge quantization that can be used for gauge theories with explicit U(1) factors - such as the standard model and its variants - is pedagogically reviewed and discussed in this article. This approach used the allowed invariances of the Lagrangian and their associated anomaly cancellation equations. It is demonstrated that charge may be de-quantized in the three-generation standard model with massless neutrinos, because differences in family-lepton-numbers are anomaly-free. The relevant experimental limits are also reviewed. This approach to charge quantization suggests that the minimal standard model should be extended so that family-lepton-number differences are explicitly broken. Some candidate extensions such as the minimal standard model augmented by Majorana right-handed neutrinos are also briefly discussed. 30 refs

  8. EV Charging Infrastructure Roadmap

    Energy Technology Data Exchange (ETDEWEB)

    Karner, Donald [Electric Transportation Inc., Rogers, AR (United States); Garetson, Thomas [Electric Transportation Inc., Rogers, AR (United States); Francfort, Jim [Idaho National Lab. (INL), Idaho Falls, ID (United States)

    2016-08-01

    As highlighted in the U.S. Department of Energy’s EV Everywhere Grand Challenge, vehicle technology is advancing toward an objective to “… produce plug-in electric vehicles that are as affordable and convenient for the average American family as today’s gasoline-powered vehicles …” [1] by developing more efficient drivetrains, greater battery energy storage per dollar, and lighter-weight vehicle components and construction. With this technology advancement and improved vehicle performance, the objective for charging infrastructure is to promote vehicle adoption and maximize the number of electric miles driven. The EV Everywhere Charging Infrastructure Roadmap (hereafter referred to as Roadmap) looks forward and assumes that the technical challenges and vehicle performance improvements set forth in the EV Everywhere Grand Challenge will be met. The Roadmap identifies and prioritizes deployment of charging infrastructure in support of this charging infrastructure objective for the EV Everywhere Grand Challenge

  9. Electric Vehicle Charging Modeling

    OpenAIRE

    Grahn, Pia

    2014-01-01

    With an electrified passenger transportation fleet, carbon dioxide emissions could be reduced significantly depending on the electric power production mix. Increased electric power consumption due to electric vehicle charging demands of electric vehicle fleets may be met by increased amount of renewable power production in the electrical systems. With electric vehicle fleets in the transportation system there is a need for establishing an electric vehicle charging infrastructure that distribu...

  10. 40 CFR 159.179 - Metabolites, degradates, contaminants, and impurities.

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 23 2010-07-01 2010-07-01 false Metabolites, degradates, contaminants.../Benefit Information § 159.179 Metabolites, degradates, contaminants, and impurities. (a) Metabolites and degradates. Information which shows the existence of any metabolite or degradate of a pesticide product must...

  11. Enabling fast charging – Vehicle considerations

    Energy Technology Data Exchange (ETDEWEB)

    Meintz, Andrew; Zhang, Jiucai; Vijayagopal, Ram; Kreutzer, Cory; Ahmed, Shabbir; Bloom, Ira; Burnham, Andrew; Carlson, Richard B.; Dias, Fernando; Dufek, Eric J.; Francfort, James; Hardy, Keith; Jansen, Andrew N.; Keyser, Matthew; Markel, Anthony; Michelbacher, Christopher; Mohanpurkar, Manish; Pesaran, Ahmad; Scoffield, Don; Shirk, Matthew; Stephens, Thomas; Tanim, Tanvir

    2017-11-01

    To achieve a successful increase in the plug-in battery electric vehicle (BEV) market, it is anticipated that a significant improvement in battery performance is required to improve the range that BEVs can travel and the rate at which they can be recharged. While the range that BEVs can travel on a single recharge is improving, the recharging rate is still much slower than the refueling rate of conventional internal combustion engine vehicles. To achieve comparable recharge times, we explore the vehicle considerations of charge rates of at least 400 kW. Faster recharge is expected to significantly mitigate the perceived deficiencies for long-distance transportation, to provide alternative charging in densely populated areas where overnight charging at home may not be possible, and to reduce range anxiety for travel within a city when unplanned charging may be required. This substantial increase in charging rate is expected to create technical issues in the design of the battery system and vehicle’s electrical architecture that must be resolved. This work focuses on battery system thermal design and total recharge time to meet the goals of implementing higher charge rates and the impacts of the expected increase in system voltage on the components of the vehicle.

  12. Asymptotic analysis of ultra-relativistic charge

    International Nuclear Information System (INIS)

    Burton, D.A.; Gratus, J.; Tucker, R.W.

    2007-01-01

    This article offers a new approach for analysing the dynamic behaviour of distributions of charged particles in an electromagnetic field. After discussing the limitations inherent in the Lorentz-Dirac equation for a single point particle a simple model is proposed for a charged continuum interacting self-consistently with the Maxwell field in vacuo. The model is developed using intrinsic tensor field theory and exploits to the full the symmetry and light-cone structure of Minkowski spacetime. This permits the construction of a regular stress-energy tensor whose vanishing divergence determines a system of non-linear partial differential equations for the velocity and self-fields of accelerated charge. Within this covariant framework a particular perturbation scheme is motivated by an exact class of solutions to this system describing the evolution of a charged fluid under the combined effects of both self and external electromagnetic fields. The scheme yields an asymptotic approximation in terms of inhomogeneous linear equations for the self-consistent Maxwell field, charge current and time-like velocity field of the charged fluid and is defined as an ultra-relativistic configuration. To facilitate comparisons with existing accounts of beam dynamics an appendix translates the tensor formulation of the perturbation scheme into the language involving electric and magnetic fields observed in a laboratory (inertial) frame

  13. Compound to Extract to Formulation: a knowledge-transmitting approach for metabolites identification of Gegen-Qinlian Decoction, a traditional Chinese medicine formula

    Science.gov (United States)

    Qiao, Xue; Wang, Qi; Wang, Shuang; Miao, Wen-juan; Li, Yan-jiao; Xiang, Cheng; Guo, De-an; Ye, Min

    2016-01-01

    Herbal medicines usually contain a large group of chemical components, which may be transformed into more complex metabolites in vivo. In this study, we proposed a knowledge-transmitting strategy for metabolites identification of compound formulas. Gegen-Qinlian Decoction (GQD) is a classical formula in traditional Chinese medicine (TCM). It is widely used to treat diarrhea and diabetes in clinical practice. However, only tens of metabolites could be detected using conventional approaches. To comprehensively identify the metabolites of GQD, a “compound to extract to formulation” strategy was established in this study. The metabolic pathways of single representative constituents in GQD were studied, and the metabolic rules were transmitted to chemically similar compounds in herbal extracts. After screening diversified metabolites from herb extracts, the knowledge was summarized to identify the metabolites of GQD. Tandem mass spectrometry (MSn), fragment-based scan (NL, PRE), and selected reaction monitoring (SRM) were employed to identify, screen, and monitor the metabolites, respectively. Using this strategy, we detected 131 GQD metabolites (85 were newly generated) in rats biofluids. Among them, 112 metabolites could be detected when GQD was orally administered at a clinical dosage (12.5 g/kg). This strategy could be used for systematic metabolites identification of complex Chinese medicine formulas. PMID:27996040

  14. Time resolved ion beam induced charge collection

    International Nuclear Information System (INIS)

    Sexton W, Frederick; Walsh S, David; Doyle L, Barney; Dodd E, Paul

    2000-01-01

    Under this effort, a new method for studying the single event upset (SEU) in microelectronics has been developed and demonstrated. Called TRIBICC, for Time Resolved Ion Beam Induced Charge Collection, this technique measures the transient charge-collection waveform from a single heavy-ion strike with a -.03db bandwidth of 5 GHz. Bandwidth can be expanded up to 15 GHz (with 5 ps sampling windows) by using an FFT-based off-line waveform renormalization technique developed at Sandia. The theoretical time resolution of the digitized waveform is 24 ps with data re-normalization and 70 ps without re-normalization. To preserve the high bandwidth from IC to the digitizing oscilloscope, individual test structures are assembled in custom high-frequency fixtures. A leading-edge digitized waveform is stored with the corresponding ion beam position at each point in a two-dimensional raster scan. The resulting data cube contains a spatial charge distribution map of up to 4,096 traces of charge (Q) collected as a function of time. These two dimensional traces of Q(t) can cover a period as short as 5 ns with up to 1,024 points per trace. This tool overcomes limitations observed in previous multi-shot techniques due to the displacement damage effects of multiple ion strikes that changed the signal of interest during its measurement. This system is the first demonstration of a single-ion transient measurement capability coupled with spatial mapping of fast transients

  15. Magnetotransport and charge transfer studies on delta-modulation-doped In sub x Ga sub 1 sub - sub x As/Al sub y Ga sub 1 sub - sub y As strained single quantum wells

    CERN Document Server

    Jung, M; Kim, T W; Yoo, K H; Kim, M D; Park, H S; Kim, D L

    1999-01-01

    Shubnikov-de Haas (S-dH) and Van der Pauw Hall-effect measurements on a In sub 0 sub . sub 1 sub 8 Ga sub 0 sub . sub 8 sub 2 As/Al sub 0 sub . sub 2 sub 5 Ga sub 0 sub . sub 7 sub 5 As strained single quantum well grown by molecular beam epitaxy have been performed to investigate the existence of the two-dimensional electron gas (2DEG) in the In sub 0 sub . sub 1 sub 8 Ga sub 0 sub . sub 8 sub 2 As single quantum well. The fast Fourier transform for the S-dH data and the observation of the quantum Hall effect clearly indicate 2DEG occupation of a subband in the In sub 0 sub . sub 1 sub 8 Ga sub 0 sub . sub 8 sub 2 As single quantum well. Electronic subband energy and the corresponding wavefunction in the In sub 0 sub . sub 1 sub 8 Ga sub 0 sub . sub 8 sub 2 As quantum well were calculated by a self-consistent method taking into account exchange-correlation effects together with strain and nonparabolicity effects.

  16. Charge transport by holographic Fermi surfaces

    CERN Document Server

    Faulkner, Thomas; Liu, Hong; McGreevy, John; Vegh, David

    2013-01-01

    We compute the contribution to the conductivity from holographic Fermi surfaces obtained from probe fermions in an AdS charged black hole. This requires calculating a certain part of the one-loop correction to a vector propagator on the charged black hole geometry. We find that the current dissipation is as efficient as possible and the transport lifetime coincides with the single-particle lifetime. In particular, in the case where the spectral density is that of a marginal Fermi liquid, the resistivity is linear in temperature.

  17. In vivo metabolism of organophosphate flame retardants and distribution of their main metabolites in adult zebrafish.

    Science.gov (United States)

    Wang, Guowei; Chen, Hanyan; Du, Zhongkun; Li, Jianhua; Wang, Zunyao; Gao, Shixiang

    2017-07-15

    Understanding the metabolism of chemicals as well as the distribution and depuration of their main metabolites in tissues are essential for evaluating their fate and potential toxicity in vivo. Herein, we investigated the metabolism of six typical organophosphate (OP) flame retardants (tripropyl phosphate (TPRP), tri-n-butyl phosphate (TNBP), tris(2-butoxyethyl) phosphate (TBOEP), tris(2-chloroethyl) phosphate (TCEP), tris(1,3-dichloro-2-propyl) phosphate (TDCIPP) and tri-p-cresyl phosphate (p-TCP)) in adult zebrafish in laboratory at three levels (0, 1/150 LC 50 (environmentally relevant level), and 1/30 LC 50 per OP analog). Twenty main metabolites were detected in the liver of OPs-exposed zebrafish using high resolution mass spectrometry (Q-TOF). The reaction pathways involving scission of the ester bond (hydrolysis), cleavage of the ether bond, oxidative hydroxylation, dechlorination, and coupling with glucuronic acid were proposed, and were further confirmed by the frontier electron density and point charge calculations. Tissue distribution of the twenty metabolites revealed that liver and intestine with the highest levels of metabolites were the most active organs for OPs biotransformation among the studied tissues of intestine, liver, roe, brain, muscle, and gill, which showed the importance of hepatobiliary system (liver-bile-intestine) in the metabolism and excretion of OPs in zebrafish. Fast depuration of metabolites from tissues indicated that the formed metabolites might be not persistent in fish, and easily released into water. This study provides comprehensive information on the metabolism of OPs in the tissue of zebrafish, which might give some hints for the exploration of their toxic mechanism in aquatic life. Copyright © 2017 Elsevier B.V. All rights reserved.

  18. High-resolution twin-ion metabolite extraction (HiTIME) mass spectrometry: nontargeted detection of unknown drug metabolites by isotope labeling, liquid chromatography mass spectrometry, and automated high-performance computing.

    Science.gov (United States)

    Leeming, Michael G; Isaac, Andrew P; Pope, Bernard J; Cranswick, Noel; Wright, Christine E; Ziogas, James; O'Hair, Richard A J; Donald, William A

    2015-04-21

    The metabolic fate of a compound can often determine the success of a new drug lead. Thus, significant effort is directed toward identifying the metabolites formed from a given molecule. Here, an automated and nontargeted procedure is introduced for detecting drug metabolites without authentic metabolite standards via the use of stable isotope labeling, liquid chromatography mass spectrometry (LC/MS), and high-performance computing. LC/MS of blood plasma extracts from rats that were administered a 1:1 mixture of acetaminophen (APAP) and (13)C6-APAP resulted in mass spectra that contained "twin" ions for drug metabolites that were not detected in control spectra (i.e., no APAP administered). Because of the development of a program (high-resolution twin-ion metabolite extraction; HiTIME) that can identify twin-ions in high-resolution mass spectra without centroiding (i.e., reduction of mass spectral peaks to single data points), 9 doublets corresponding to APAP metabolites were identified. This is nearly twice that obtained by use of existing programs that make use of centroiding to reduce computational cost under these conditions with a quadrupole time-of-flight mass spectrometer. By a manual search for all reported APAP metabolite ions, no additional twin-ion signals were assigned. These data indicate that all the major metabolites of APAP and multiple low-abundance metabolites (e.g., acetaminophen hydroxy- and methoxysulfate) that are rarely reported were detected. This methodology can be used to detect drug metabolites without prior knowledge of their identity. HiTIME is freely available from https://github.com/bjpop/HiTIME .

  19. Estimation of genetic parameters and detection of quantitative trait loci for metabolites in Danish Holstein milk

    DEFF Research Database (Denmark)

    Buitenhuis, Albert Johannes; Sundekilde, Ulrik; Poulsen, Nina Aagaard

    2013-01-01

    Small components and metabolites in milk are significant for the utilization of milk, not only in dairy food production but also as disease predictors in dairy cattle. This study focused on estimation of genetic parameters and detection of quantitative trait loci for metabolites in bovine milk. F...... for lactic acid to >0.8 for orotic acid and β-hydroxybutyrate. A single SNP association analysis revealed 7 genome-wide significant quantitative trait loci [malonate: Bos taurus autosome (BTA)2 and BTA7; galactose-1-phosphate: BTA2; cis-aconitate: BTA11; urea: BTA12; carnitine: BTA25...

  20. Novel Sulfur Metabolites of Garlic Attenuate Cardiac Hypertrophy and Remodeling through Induction of Na+/K+-ATPase Expression.

    Science.gov (United States)

    Khatua, Tarak N; Borkar, Roshan M; Mohammed, Soheb A; Dinda, Amit K; Srinivas, R; Banerjee, Sanjay K

    2017-01-01

    Epidemiologic studies show an inverse correlation between garlic consumption and progression of cardiovascular disease. However, the molecular basis for the beneficial effect of garlic on the heart is not known. Therefore, the objective of the present study was to (1) investigate the effect of raw garlic on isoproterenol (Iso) induced cardiac hypertrophy (2) find the active metabolites of garlic responsible for the beneficial effect. Cardiac hypertrophy was induced in rats by subcutaneous single injection of Iso 5 mg kg -1 day -1 for 15 days and the effect of garlic (250 mg/kg/day orally) was evaluated. Garlic metabolites in in vivo were identified by LC/MS study. The effect of garlic and its metabolites were evaluated against hypertrophy in H9C2 cells. Garlic normalized cardiac oxidative stress after Iso administration. Cardiac pathology and mitochondrial enzyme activities were improved in hypertrophy heart after garlic administration. Decreased Na + /K + -ATPase protein level that observed in hypertrophy heart was increased after garlic administration. We identified three garlic metabolites in rat serum. To confirm the role of garlic metabolites on cardiac hypertrophy, Na + /K + -ATPase expression and intracellular calcium levels were measured after treating H9C2 cells with raw garlic and two of its active metabolites, allyl methyl sulfide and allyl methyl sulfoxide. Raw garlic and both metabolites increased Na + /K + -ATPase protein level and decreased intracellular calcium levels and cell size in Iso treated H9C2 cells. This antihypertrophic effect of garlic and its sulfur metabolites were lost in H9C2 cells in presence of Na + /K + -ATPase inhibitor. In conclusion, garlic and its active metabolites increased Na + /K + -ATPase in rat heart, and attenuated cardiac hypertrophy and associated remodeling. Our data suggest that identified new garlic metabolites may be useful for therapeutic intervention against cardiac hypertrophy.

  1. Plant metabolites and nutritional quality of vegetables.

    Science.gov (United States)

    Hounsome, N; Hounsome, B; Tomos, D; Edwards-Jones, G

    2008-05-01

    Vegetables are an important part of the human diet and a major source of biologically active substances such as vitamins, dietary fiber, antioxidants, and cholesterol-lowering compounds. Despite a large amount of information on this topic, the nutritional quality of vegetables has not been defined. Historically, the value of many plant nutrients and health-promoting compounds was discovered by trial and error. By the turn of the century, the application of chromatography, mass spectrometry, infrared spectrometry, and nuclear magnetic resonance allowed quantitative and qualitative measurements of a large number of plant metabolites. Approximately 50000 metabolites have been elucidated in plants, and it is predicted that the final number will exceed 200000. Most of them have unknown function. Metabolites such as carbohydrates, organic and amino acids, vitamins, hormones, flavonoids, phenolics, and glucosinolates are essential for plant growth, development, stress adaptation, and defense. Besides the importance for the plant itself, such metabolites determine the nutritional quality of food, color, taste, smell, antioxidative, anticarcinogenic, antihypertension, anti-inflammatory, antimicrobial, immunostimulating, and cholesterol-lowering properties. This review is focused on major plant metabolites that characterize the nutritional quality of vegetables, and methods of their analysis.

  2. Secondary metabolites in fungus-plant interactions

    Science.gov (United States)

    Pusztahelyi, Tünde; Holb, Imre J.; Pócsi, István

    2015-01-01

    Fungi and plants are rich sources of thousands of secondary metabolites. The genetically coded possibilities for secondary metabolite production, the stimuli of the production, and the special phytotoxins basically determine the microscopic fungi-host plant interactions and the pathogenic lifestyle of fungi. The review introduces plant secondary metabolites usually with antifungal effect as well as the importance of signaling molecules in induced systemic resistance and systemic acquired resistance processes. The review also concerns the mimicking of plant effector molecules like auxins, gibberellins and abscisic acid by fungal secondary metabolites that modulate plant growth or even can subvert the plant defense responses such as programmed cell death to gain nutrients for fungal growth and colonization. It also looks through the special secondary metabolite production and host selective toxins of some significant fungal pathogens and the plant response in form of phytoalexin production. New results coming from genome and transcriptional analyses in context of selected fungal pathogens and their hosts are also discussed. PMID:26300892

  3. A New Manganese Dinuclear Complex with Phenolate Ligands and a Single Unsupported Oxo Bridge. Storage of Two Positive Charges within Less than 500 mV. Relevance to Photosynthesis.

    Science.gov (United States)

    Horner, Olivier; Anxolabéhère-Mallart, Elodie; Charlot, Marie-France; Tchertanov, Lyuba; Guilhem, Jean; Mattioli, Tony A.; Boussac, Alain; Girerd, Jean-Jacques

    1999-03-22

    The compound [Mn(III)(2)OL(2)](ClO(4))(2).2.23CHCl(3).0.65CH(2)Cl(2) where L(-) is the monoanionic N,N-bis(2-pyridylmethyl)-N'-salicyliden-1,2-diaminoethane ligand, has been synthesized. The complex dication [Mn(III)(2)OL(2)](2+) contains a linear Mn(III)-O-Mn(III) unit with a Mn-Mn distance of 3.516 Å. The pentadentate ligand L(-) wraps around the Mn(III) ion. Electrochemically, it is possible to prepare the one electron oxidized trication [Mn(2)OL(2)](3+) which crystallizes as [Mn(2)OL(2)](ClO(4))(2.37)(PF(6))(0.63).1.5CH(3)CN. The complex trication [Mn(2)OL(2)](3+) contains a Mn(III)-O-Mn(IV) unit with a Mn-Mn distance of 3.524 Å and a Mn-O-Mn angle of 178.7(2) degrees. The contraction of the coordination sphere around the Mn(IV) is clearly observed. The [Mn(2)OL(2)](2+) dication possesses a S = 0 electronic ground state with J = -216 cm(-)(1) (H = -JS(1)().S(2)()), whereas the [Mn(2)OL(2)](3+) trication shows a S = (1)/(2) ground state with J = -353 cm(-)(1). The UV-visible spectrum of [Mn(2)OL(2)](3+) exhibits an intense absorption band (epsilon = 3040 M(-)(1) cm(-)(1)) centered at 570 nm assigned to a phenolate --> Mn(IV) charge-transfer transition. The potentials of the redox couples determined by cyclic voltammetry are E degrees ([Mn(2)OL(2)](3+)/[Mn(2)OL(2)](2+)) = 0.54 V/saturated calomel electrode (SCE) and E degrees ([Mn(2)OL(2)](4+)/[Mn(2)OL(2)](3+)) = 0.99 V/SCE. Upon oxidation at 1.3 V/SCE, the band at 570 nm shifts to 710 nm (epsilon = 2500 M(-)(1) cm(-)(1)) and a well-defined band appears at 400 nm which suggests the formation of a phenoxyl radical. The [Mn(2)OL(2)](3+)( )()complex exhibits a 18-line X-band electron paramagnetic resonance (EPR) spectrum which has been simulated with rhombic tensors |A(1)(x)()| = 160 x 10(-)(4) cm(-)(1); |A(1)(y)()| = 130 x 10(-)(4) cm(-)(1); |A(1)(z)()| = 91 x 10(-)(4) cm(-)(1); |A(2)(x)()| = 62 x 10(-)(4) cm(-)(1); |A(2)(y)()| = 59 x 10(-)(4) cm(-)(1); |A(2)(z)()| = 62 x 10(-)(4) cm(-)(1) and g(x)() = 2.006; g

  4. Charge transfer in astrophysical nebulae

    International Nuclear Information System (INIS)

    Shields, G.A.

    1990-01-01

    Charge transfer has become a standard ingredient in models of ionized nebulae, supernovae remnants and active galactic nuclei. Charge transfer rate coefficients and the physics of ionized nebulae are considered. Charge transfer is applied to the ionization structure and line emission of ionized nebulae. Photoionized nebulae observations are used to test theoretical predictions of charge transfer rates. (author)

  5. Electric vehicle battery charging controller

    DEFF Research Database (Denmark)

    2016-01-01

    to a battery management system in the electric vehicle to charge a battery therein, a first communication unit for receiving a charging message via a communication network, and a control unit for controlling a charging current provided from the charge source to the electric vehicle, the controlling at least...

  6. Dispersion and space charge

    International Nuclear Information System (INIS)

    Venturini, M.; Kishek, R.A.; Reiser, M.

    1998-01-01

    The presence of space charge affects the value of the dispersion function. On the other hand dispersion has a role in shaping the beam distribution and therefore in determining the resulting forces due to space charge. In this paper we present a framework where the interplay between space charge and dispersion for a continuous beam can be simultaneously treated. We revise the derivation of a new set of rms envelope-dispersion equations we have recently proposed in [1]. The new equations generalize the standard rms envelope equations currently used for matching to the case where bends and a longitudinal momentum spread are present. We report a comparison between the solutions of the rms envelope-dispersion equations and the results obtained using WARP, a Particle in Cell (PIC) code, in the modeling of the Maryland Electron Ring. copyright 1998 American Institute of Physics

  7. Dispersion and space charge

    Energy Technology Data Exchange (ETDEWEB)

    Venturini, M. [Department of Physics and Institute for Plasma Research, University of Maryland, College Park, Maryland 20742 (United States); Kishek, R.A.; Reiser, M. [Department of Electrical Engeneering and Institute for Plasma Research, University of Maryland, College Park, Maryland 20742 (United States)

    1998-11-01

    The presence of space charge affects the value of the dispersion function. On the other hand dispersion has a role in shaping the beam distribution and therefore in determining the resulting forces due to space charge. In this paper we present a framework where the interplay between space charge and dispersion for a continuous beam can be simultaneously treated. We revise the derivation of a new set of rms envelope-dispersion equations we have recently proposed in [1]. The new equations generalize the standard rms envelope equations currently used for matching to the case where bends and a longitudinal momentum spread are present. We report a comparison between the solutions of the rms envelope-dispersion equations and the results obtained using WARP, a Particle in Cell (PIC) code, in the modeling of the Maryland Electron Ring. {copyright} {ital 1998 American Institute of Physics.}

  8. Dispersion and space charge

    International Nuclear Information System (INIS)

    Venturini, Marco; Kishek, Rami A.; Reiser, Martin

    1998-01-01

    The presence of space charge affects the value of the dispersion function. On the other hand dispersion has a role in shaping the beam distribution and therefore in determining the resulting forces due to space charge. In this paper we present a framework where the interplay between space charge and dispersion for a continuous beam can be simultaneously treated. We revise the derivation of a new set of rms envelope-dispersion equations we have recently proposed. The new equations generalize the standard rms envelope equations currently used for matching to the case where bends and a longitudinal momentum spread are present. We report a comparison between the solutions of the rms envelope-dispersion equations and the results obtained using WARP, a Particle in Cell (PIC) code, in the modeling of the Maryland Electron Ring

  9. Charged black holes with scalar hair

    Energy Technology Data Exchange (ETDEWEB)

    Fan, Zhong-Ying; Lü, H. [Center for Advanced Quantum Studies, Department of Physics,Beijing Normal University, Beijing 100875 (China)

    2015-09-10

    We consider a class of Einstein-Maxwell-Dilaton theories, in which the dilaton coupling to the Maxwell field is not the usual single exponential function, but one with a stationary point. The theories admit two charged black holes: one is the Reissner-Nordstrøm (RN) black hole and the other has a varying dilaton. For a given charge, the new black hole in the extremal limit has the same AdS{sub 2}×Sphere near-horizon geometry as the RN black hole, but it carries larger mass. We then introduce some scalar potentials and obtain exact charged AdS black holes. We also generalize the results to black p-branes with scalar hair.

  10. Sources for charged particles

    International Nuclear Information System (INIS)

    Arianer, J.

    1997-01-01

    This document is a basic course on charged particle sources for post-graduate students and thematic schools on large facilities and accelerator physics. A simple but precise description of the creation and the emission of charged particles is presented. This course relies on every year upgraded reference documents. Following relevant topics are considered: electronic emission processes, technological and practical considerations on electron guns, positron sources, production of neutral atoms, ionization, plasma and discharge, different types of positive and negative ion sources, polarized particle sources, materials for the construction of ion sources, low energy beam production and transport. (N.T.)

  11. Charged conformal Killing spinors

    Energy Technology Data Exchange (ETDEWEB)

    Lischewski, Andree, E-mail: lischews@mathematik.hu-berlin.de [Humboldt-Universität zu Berlin, Institut für Mathematik, Rudower Chaussee 25, Room 1.310, D12489 Berlin (Germany)

    2015-01-15

    We study the twistor equation on pseudo-Riemannian Spin{sup c}-manifolds whose solutions we call charged conformal Killing spinors (CCKSs). We derive several integrability conditions for the existence of CCKS and study their relations to spinor bilinears. A construction principle for Lorentzian manifolds admitting CCKS with nontrivial charge starting from CR-geometry is presented. We obtain a partial classification result in the Lorentzian case under the additional assumption that the associated Dirac current is normal conformal and complete the classification of manifolds admitting CCKS in all dimensions and signatures ≤5 which has recently been initiated in the study of supersymmetric field theories on curved space.

  12. Faster metabolite (1H transverse relaxation in the elder human brain.

    Directory of Open Access Journals (Sweden)

    Małgorzata Marjańska

    Full Text Available (1H magnetic resonance spectroscopy (MRS is unique among imaging modalities because signals from several metabolites are measured during a single examination period. Each metabolite reflects a distinct intracellular process. Furthermore transverse (T2 relaxation times probe the viability of the cell microenvironment, e.g., the viscosity of the cellular fluids, the microscopic susceptibility distribution within the cells, and the iron content. In this study, T2s of brain metabolites were measured in the occipital lobe of eighteen young and fourteen elderly subjects at a field strength of 4 tesla. The T2s of N-acetylaspartate, total creatine, and total choline were 23%, 16% and 10% shorter in elderly than in young subjects. The findings of this study suggest that noninvasive detection of T2 provides useful biological information on changes in the cellular microenvironment that take place during aging.

  13. Solubilities and toxicities of condensed thiophenes and their microbial metabolites

    Energy Technology Data Exchange (ETDEWEB)

    Seymour, D. T.; Hrudey, S. E.; Fedorak, P. M. [Alberta Univ., Edmonton, AB (Canada)

    1995-12-31

    A method to assess the reduction in toxicity of contaminants as a measure of the effectiveness of a bioremediation program was described. Condensed thiophenes are commonly found in petroleum and creosote, and some of these compounds have been found to persist in crude oil-contaminated environments. To help identify these bacterial products several of the metabolites were chemically synthesized and tested for toxicity, using the Microtox method. Part 1 of the study measured the toxicity of twelve organosulphur compounds; Part 2 determined the aqueous solubilities of the parent compounds and the synthesized metabolites; Part 3 measured the changes in toxicity that occurred in batch cultures of Pseudomonas strain F grown in the presence of selected condensed thiophenes. The aqueous solubility measurements gave results that agreed well with those found in the literature; i.e., each polar metabolite was more soluble than its parent compound. The Microtox assays showed that the available pure compounds that are known to be microbial oxidation products were less toxic than their parent compounds. Microtox assays of cultures of Pseudomonas strain F grown in the presence of condensed thiophenes showed no increase in toxicity. Indeed, the growth of cultures detoxified each of the four compounds tested. While all of these results suggest that microbial transformations of condensed thiophenes reduce the toxicity of these compounds, they cannot be accepted as fully reliable because no single test can give a complete picture of the spectrum of toxicity related to these compounds. A broad range of tests, ideally on different trophic levels, is required for a complete assessment. 38 refs., 1 fig.

  14. Simvastatin (SV) metabolites in mouse tissues

    International Nuclear Information System (INIS)

    Duncan, C.A.; Vickers, S.

    1990-01-01

    SV, a semisynthetic analog of lovastatin, is hydrolyzed in vivo to its hydroxy acid (SVA), a potent inhibitor of HMG CoA reductase (HR). Thus SV lowers plasma cholesterol. SV is a substrate for mixed function oxidases whereas SVA undergoes lactonization and β-oxidation. Male CD-1 mice were dosed orally with a combination of ( 14 C)SV and ( 3 H)SVA at 25 mg/kg of each, bled and killed at 0.5, 2 and 4 hours. Labeled SV, SVA, 6'exomethylene SV (I), 6'CH 2 OH-SV (II), 6'COOH-SV (III) and a β-oxidized metabolite (IV) were assayed in liver, bile, kidneys, testes and plasma by RIDA. Levels of potential and active HR inhibitors in liver were 10 to 40 fold higher than in other tissues. II and III, in which the configuration at 6' is inverted, may be 2 metabolites of I. Metabolites I-III are inhibitors of HR in their hydroxy acid forms. Qualitatively ( 14 C)SV and ( 3 H)SVA were metabolized similarly (consistent with their proposed interconversion). However 3 H-SVA, I-III (including hydroxy acid forms) achieved higher concentrations than corresponding 14 C compounds (except in gall bladder bile). Major radioactive metabolites in liver were II-IV (including hydroxy acid forms). These metabolites have also been reported in rat tissues. In bile a large fraction of either label was unidentified polar metabolites. The presence of IV indicated that mice (like rats) are not good models for SV metabolism in man

  15. Human pharmacokinetics of proguanil and its metabolites

    DEFF Research Database (Denmark)

    Bygbjerg, Ib Christian; Ravn, P; Rønn, A

    1987-01-01

    The pharmacokinetics of proguanil and its metabolites cycloguanil and p-chlorophenylbiguanide were studied in five healthy volunteers taking 200 mg orally for 14 days. A highly sensitive and specific high-performance liquid chromatographic assay was applied, clearly identifying all three compounds...... of proguanil and cycloguanil appeared after seven hours. Trough concentrations (pre-dose in the morning) of proguanil and cycloguanil were about 200 and 100 nmol/l, respectively. Mean half-life of proguanil was estimated to approximately 20 h. The active metabolite cycloguanil constituted 30% of the total...

  16. Animal bioavailability of defined xenobiotic lignin metabolites

    International Nuclear Information System (INIS)

    Sandermann, H. Jr.; Arjmand, M.; Gennity, I.; Winkler, R.; Struble, C.B.; Aschbacher, P.W.

    1990-01-01

    Lignin has been recognized as a major component of bound pesticide residues in plants and is thought to be undigestible in animals. Two defined ring-U- 14 C-labeled chloroaniline/lignin metabolites have now been fed to rats, where a release of ∼66% of the bound xenobiotic occurred in the form of simple chloroaniline derivatives. The observed high degree of bioavailability indicates that bound pesticidal residues may possess ecotoxicological significance. In parallel studies, the white-rot fungus Phanerochaete chrysosporium was more efficient, and a soil system was much less efficient, in the degradation of the [ring-U- 14 C]chloroaniline/lignin metabolites

  17. METABOLITE CHARACTERIZATION IN SERUM SAMPLES FROM ...

    African Journals Online (AJOL)

    Preferred Customer

    and 13C chemical shifts is given in Table 1. Table 1. Resonance assignments of most significant metabolites of serum control healthy samples. S. No Metabolite. Group. 1H shift 13C shift Multiplicities. 1 Fatty acids. CH3. 0.90. 19.7 t. 2 Isoleucine. δCH3. 0.94. 13.8 t. 3 Leucine. δCH3. 0.95. 23.5 d. 4 Leucine. δCH3. 0.96. 24.7.

  18. Metabolite production by species of Stemphylium

    DEFF Research Database (Denmark)

    Olsen, Kresten Jon Kromphardt; Rossman, Amy; Andersen, Birgitte

    2018-01-01

    Morphology and phylogeny has been used to distinguish members of the plant pathogenic fungal genus Stemphylium. A third method for distinguishing species is by chemotaxonomy. The main goal of the present study was to investigate the chemical potential of Stemphylium via HPLC-UV-MS analysis, while...... also exploring the potential of chemotaxonomy as a robust identification method for Stemphylium. Several species were found to have species-specific metabolites, while other species were distinguishable by a broader metabolic profile rather than specific metabolites. Many previously described...

  19. Cortical metabolites as biomarkers in the R6/2 model of Huntington's disease

    Science.gov (United States)

    Zacharoff, Lori; Tkac, Ivan; Song, Qingfeng; Tang, Chuanning; Bolan, Patrick J; Mangia, Silvia; Henry, Pierre-Gilles; Li, Tongbin; Dubinsky, Janet M

    2012-01-01

    To improve the ability to move from preclinical trials in mouse models of Huntington's disease (HD) to clinical trials in humans, biomarkers are needed that can track similar aspects of disease progression across species. Brain metabolites, detectable by magnetic resonance spectroscopy (MRS), have been suggested as potential biomarkers in HD. In this study, the R6/2 transgenic mouse model of HD was used to investigate the relative sensitivity of the metabolite profiling and the brain volumetry to anticipate the disease progression. Magnetic resonance imaging (MRI) and 1H MRS data were acquired at 9.4 T from the R6/2 mice and wild-type littermates at 4, 8, 12, and 15 weeks. Brain shrinkage was detectable in striatum, cortex, thalamus, and hypothalamus by 12 weeks. Metabolite changes in cortex paralleled and sometimes preceded those in striatum. The entire set of metabolite changes was compressed into principal components (PCs) using Partial Least Squares-Discriminant Analysis (PLS-DA) to increase the sensitivity for monitoring disease progression. In comparing the efficacy of volume and metabolite measurements, the cortical PC1 emerged as the most sensitive single biomarker, distinguishing R6/2 mice from littermates at all time points. Thus, neurochemical changes precede volume shrinkage and become potential biomarkers for HD mouse models. PMID:22044866

  20. Tissue distribution of 14C-diazepam and its metabolites in rats

    International Nuclear Information System (INIS)

    Igari, Y.; Sugiyama, Y.; Sawada, Y.; Iga, T.; Hanano, M.

    1982-01-01

    We have kinetically investigated the tissue distribution of 14 C-diazepam and described the appearance and disappearance of its metabolites (3-hydroxydiazepam, desmethyldiazepam, and oxazepam) following a single iv injection of 14 C-diazepam into rats. Significant amounts of oxazepam were detected in plasma and various tissues in the rat, contrary to previous reports. Concentration-time profiles of diazepam in the main disposing organs (liver, kidney, and lung) and the other organs (brain, heart, and small intestine) indicated that diazepam was distributed rapidly to these organs. Concentration-time profiles of diazepam in the main tissues for drug distribution (skin and adipose) indicated that diazepam was slowly distributed to these tissues, whereas that in muscle, which is also responsible for drug distribution, indicated that diazepam was less rapidly distributed to this tissue. Metabolites appeared in plasma and various tissues or organs immediately after iv injection of diazepam. Metabolites levels in plasma and various tissues or organs were significantly lower than that of diazepam except for liver and small intestine, where metabolites levels were higher compared to that of diazepam and metabolites exhibited a considerable persistence

  1. Bayesian deconvolution and quantification of metabolites in complex 1D NMR spectra using BATMAN.

    Science.gov (United States)

    Hao, Jie; Liebeke, Manuel; Astle, William; De Iorio, Maria; Bundy, Jacob G; Ebbels, Timothy M D

    2014-01-01

    Data processing for 1D NMR spectra is a key bottleneck for metabolomic and other complex-mixture studies, particularly where quantitative data on individual metabolites are required. We present a protocol for automated metabolite deconvolution and quantification from complex NMR spectra by using the Bayesian automated metabolite analyzer for NMR (BATMAN) R package. BATMAN models resonances on the basis of a user-controllable set of templates, each of which specifies the chemical shifts, J-couplings and relative peak intensities for a single metabolite. Peaks are allowed to shift position slightly between spectra, and peak widths are allowed to vary by user-specified amounts. NMR signals not captured by the templates are modeled non-parametrically by using wavelets. The protocol covers setting up user template libraries, optimizing algorithmic input parameters, improving prior information on peak positions, quality control and evaluation of outputs. The outputs include relative concentration estimates for named metabolites together with associated Bayesian uncertainty estimates, as well as the fit of the remainder of the spectrum using wavelets. Graphical diagnostics allow the user to examine the quality of the fit for multiple spectra simultaneously. This approach offers a workflow to analyze large numbers of spectra and is expected to be useful in a wide range of metabolomics studies.

  2. Charge transfer in TATB and HMX under extreme conditions.

    Science.gov (United States)

    Zhang, Chaoyang; Ma, Yu; Jiang, Daojian

    2012-11-01

    Charge transfer is usually accompanied by structural changes in materials under different conditions. However, the charge transfer in energetic materials that are subjected to extreme conditions has seldom been explored by researchers. In the work described here, the charge transfer in single molecules and unit cells of the explosives TATB and HMX under high temperatures and high pressures was investigated by performing static and dynamic calculations using three DFT methods, including the PWC functional of LDA, and the BLYP and PBE functionals of GGA. The results showed that negative charge is transferred from the nitro groups of molecular or crystalline TATB and HMX when they are heated. All DFT calculations for the compressed TATB unit cell indicate that, generally, negative charge transfer occurs to its nitro groups as the compression increases. PWC and PBE calculations for crystalline HMX show that negative charge is first transferred to the nitro groups but, as the compression increases, the negative charge is transferred from the nitro groups. However, the BLYP calculations indicated that there was gradual negative charge transfer to the nitro groups of HMX, similar to the case for TATB. The unrelaxed state of the uniformly compressed TATB causes negative charge to be transferred from its nitro groups, in contrast to what is seen in the relaxed state. Charge transfer in TATB is predicted to occur much more easily than in HMX.

  3. Salmonella Taking Charge

    OpenAIRE

    Weigele, Bethany A.; Alto, Neal M.

    2010-01-01

    Pathogens develop creative ways to undermine host defenses. In this issue of Cell Host & Microbe, Bakowski et al. (2010) have unveiled a mechanism by which Salmonella evades lysosomal fusion by using a bacterial protein, SopB, that depletes the phagosomal membrane of negative charge.

  4. Charged Particle Optics Theory

    Czech Academy of Sciences Publication Activity Database

    Hawkes, P. W.; Lencová, Bohumila

    -, č. 6 (2006), s. 6-8 Grant - others:EC 5RP(XE) G5RD-CT-2000-00344 Institutional research plan: CEZ:AV0Z20650511 Keywords : optics of charged particles * design of ion lithography system * spot profile * the finite element method Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering www.phantomsnet.net

  5. Charged particle beams

    CERN Document Server

    Humphries, Stanley

    2013-01-01

    Detailed enough for a text and sufficiently comprehensive for a reference, this volume addresses topics vital to understanding high-power accelerators and high-brightness-charged particle beams. Subjects include stochastic cooling, high-brightness injectors, and the free electron laser. Humphries provides students with the critical skills necessary for the problem-solving insights unique to collective physics problems. 1990 edition.

  6. Charge oscillations in orbitrons

    International Nuclear Information System (INIS)

    Porto, M.; Gomes, L.C.

    1981-01-01

    A statistical model for the electron distribution in orbitrons is constructed where the effect of the end plates is considered. A comparison is made with the measured density of charge. The electromagnetic oscillations generated by orbitrons are calculated as pressure waves and the results obtained are compared with the data. (Author) [pt

  7. Charge Transport Processes in Molecular Junctions

    Science.gov (United States)

    Smith, Christopher Eugene

    Molecular electronics (ME) has evolved into a rich area of exploration that combines the fields of chemistry, materials, electronic engineering and computational modeling to explore the physics behind electronic conduction at the molecular level. Through studying charge transport properties of single molecules and nanoscale molecular materials the field has gained the potential to bring about new avenues for the miniaturization of electrical components where quantum phenomena are utilized to achieve solid state molecular device functionality. Molecular junctions are platforms that enable these studies and consist of a single molecule or a small group of molecules directly connected to electrodes. The work presented in this thesis has built upon the current understanding of the mechanisms of charge transport in ordered junctions using self-assembled monolayer (SAM) molecular thin films. Donor and acceptor compounds were synthesized and incorporated into SAMs grown on metal substrates then the transport properties were measured with conducting probe atomic force microscopy (CP-AFM). In addition to experimentally measured current-voltage (I-V) curves, the transport properties were addressed computationally and modeled theoretically. The key objectives of this project were to 1) investigate the impact of molecular structure on hole and electron charge transport, 2) understand the nature of the charge carriers and their structure-transport properties through long (films, and open opportunities to engineer improved electronic functionality into molecular devices.

  8. Charge reconstruction in large-area photomultipliers

    Science.gov (United States)

    Grassi, M.; Montuschi, M.; Baldoncini, M.; Mantovani, F.; Ricci, B.; Andronico, G.; Antonelli, V.; Bellato, M.; Bernieri, E.; Brigatti, A.; Brugnera, R.; Budano, A.; Buscemi, M.; Bussino, S.; Caruso, R.; Chiesa, D.; Corti, D.; Dal Corso, F.; Ding, X. F.; Dusini, S.; Fabbri, A.; Fiorentini, G.; Ford, R.; Formozov, A.; Galet, G.; Garfagnini, A.; Giammarchi, M.; Giaz, A.; Insolia, A.; Isocrate, R.; Lippi, I.; Longhitano, F.; Lo Presti, D.; Lombardi, P.; Marini, F.; Mari, S. M.; Martellini, C.; Meroni, E.; Mezzetto, M.; Miramonti, L.; Monforte, S.; Nastasi, M.; Ortica, F.; Paoloni, A.; Parmeggiano, S.; Pedretti, D.; Pelliccia, N.; Pompilio, R.; Previtali, E.; Ranucci, G.; Re, A. C.; Romani, A.; Saggese, P.; Salamanna, G.; Sawy, F. H.; Settanta, G.; Sisti, M.; Sirignano, C.; Spinetti, M.; Stanco, L.; Strati, V.; Verde, G.; Votano, L.

    2018-02-01

    Large-area PhotoMultiplier Tubes (PMT) allow to efficiently instrument Liquid Scintillator (LS) neutrino detectors, where large target masses are pivotal to compensate for neutrinos' extremely elusive nature. Depending on the detector light yield, several scintillation photons stemming from the same neutrino interaction are likely to hit a single PMT in a few tens/hundreds of nanoseconds, resulting in several photoelectrons (PEs) to pile-up at the PMT anode. In such scenario, the signal generated by each PE is entangled to the others, and an accurate PMT charge reconstruction becomes challenging. This manuscript describes an experimental method able to address the PMT charge reconstruction in the case of large PE pile-up, providing an unbiased charge estimator at the permille level up to 15 detected PEs. The method is based on a signal filtering technique (Wiener filter) which suppresses the noise due to both PMT and readout electronics, and on a Fourier-based deconvolution able to minimize the influence of signal distortions—such as an overshoot. The analysis of simulated PMT waveforms shows that the slope of a linear regression modeling the relation between reconstructed and true charge values improves from 0.769 ± 0.001 (without deconvolution) to 0.989 ± 0.001 (with deconvolution), where unitary slope implies perfect reconstruction. A C++ implementation of the charge reconstruction algorithm is available online at [1].

  9. Detection of tamoxifen metabolites by GC-MSD.

    Science.gov (United States)

    Báez, H; Camargo, C; Osorio, H; Umpiérrez, F

    2004-01-01

    Tamoxifen is an antiestrogen used in the adjuvant endocrine therapy of early breast cancer and malignant breast disorders. It is also used in women with anovulatory infertility caused by its stimulating effect on the secretion of the pituitary gonadotrophic hormones. In males it could increase the endogenous production of androgens. Because of these properties tamoxifen may be misused in some sports to treat the androgens suppression caused by the extensive abuse of anabolic androgenic steroids. A method for identification and confirmation of tamoxifen metabolites is described. Hydroxymetoxytamoxifen is detected in urine by gas chromatography and mass spectrometry in a selective ion monitoring method followed by the routine postrun in the screening of anabolic steroids. Once the hydroxymetoxytamoxifen is detected, confirmation of reported metabolites could be performed with a 5973 mass selective detector in the scan mode after solid-phase extraction by cationic exchange. This study also reports an excretion profile for a single dose of tamoxifen equivalent to 40 mg administrated orally to two males volunteers.

  10. Effect of charged line defects on conductivity in graphene: Numerical Kubo and analytical Boltzmann approaches

    DEFF Research Database (Denmark)

    Radchenko, T. M.; Shylau, A. A.; Zozoulenko, I. V.

    2013-01-01

    Charge carrier transport in single-layer graphene with one-dimensional charged defects is studied theoretically. Extended charged defects, considered an important factor for mobility degradation in chemically vapor-deposited graphene, are described by a self-consistent Thomas-Fermi potential...

  11. Intramembrane charge movement in frog skeletal muscle fibres. Properties of charge 2.

    Science.gov (United States)

    Brum, G; Rios, E

    1987-06-01

    1. Membrane currents were measured in cut skeletal muscle fibres voltage-clamped in a double Vaseline gap in solutions that had impermeant ions substituted for Na+, K+ and Cl-. The fibres were maintained at a holding potential of 0 mV. Pulses to positive voltages elicited outward currents that were proportional to voltage at all times; these were used to estimate linear capacitive currents, which in turn were used in the construction of non-linear current transients. 2. Large negative-going pulses elicited proportionally larger inward currents that decayed during the pulse with voltage-dependent kinetics. A portion of the non-linear current could be eliminated by solutions containing EGTA, as well as by large negative conditioning pulses of 200 ms or more. This portion was probably an inward Ca2+ current. 3. The non-linear current remaining in EGTA-containing solutions had characteristics of intramembrane charge movement ('charge 2'). This charge depended on voltage according to a two-state Boltzmann function of average parameters Qmax = 47.7 nC/microF, V = -115 mV, K = 21.5 mV (seven fibres). 4. The charge movement current transients were single-exponential decays (after a short rising phase) with time constants (tau) that depended on voltage (V). A single-barrier Eyring rate model described well the dependence of time constant on voltage. This fit permitted an independent estimate of a transition voltage, V, and a slope parameter K related to apparent valence of the mobile particle. The values of V and K that best fitted the kinetic data were close to the corresponding values estimated from the charge vs. voltage distribution. 5. Effective capacitance was measured by the transfer of capacitive charge by a small pulse superimposed on a variable pre-pulse. The capacitance was found to depend on pre-pulse voltage. The voltage dependence of the capacitance was as expected from the properties of charge 2 measured independently in the same fibres. 6. The presence of

  12. In vivo brain macromolecule signals in healthy and glioblastoma mouse models: 1H magnetic resonance spectroscopy, post-processing and metabolite quantification at 14.1 T.

    Science.gov (United States)

    Craveiro, Mélanie; Clément-Schatlo, Virginie; Marino, Denis; Gruetter, Rolf; Cudalbu, Cristina

    2014-06-01

    In (1)H magnetic resonance spectroscopy, macromolecule signals underlay metabolite signals, and knowing their contribution is necessary for reliable metabolite quantification. When macromolecule signals are measured using an inversion-recovery pulse sequence, special care needs to be taken to correctly remove residual metabolite signals to obtain a pure macromolecule spectrum. Furthermore, since a single spectrum is commonly used for quantification in multiple experiments, the impact of potential macromolecule signal variability, because of regional differences or pathologies, on metabolite quantification has to be assessed. In this study, we introduced a novel method to post-process measured macromolecule signals that offers a flexible and robust way of removing residual metabolite signals. This method was applied to investigate regional differences in the mouse brain macromolecule signals that may affect metabolite quantification when not taken into account. However, since no significant differences in metabolite quantification were detected, it was concluded that a single macromolecule spectrum can be generally used for the quantification of healthy mouse brain spectra. Alternatively, the study of a mouse model of human glioma showed several alterations of the macromolecule spectrum, including, but not limited to, increased mobile lipid signals, which had to be taken into account to avoid significant metabolite quantification errors. © 2014 International Society for Neurochemistry.

  13. Charged particle confinement in magnetic mirror

    International Nuclear Information System (INIS)

    Bora, D.; John, P.I.; Saxena, Y.C.; Varma, R.K.

    1982-01-01

    The behaviour of single charged particle trapped in a magnetic mirror has been investigated experimentally. The particle injected off axis and trapped in a magnetic mirror, leak out of the mirror with the leakage characterized by multiple decay times. The observed decay times are in good agreement with predictions of a ''wave mechanical like'' model by Varma, over a large range of relevant parameters. (author)

  14. Antibacterial activity of secondary metabolites isolated from ...

    African Journals Online (AJOL)

    Aghomotsegin

    2015-10-28

    Oct 28, 2015 ... The aims of this study were the analysis of the secondary metabolites and evaluation of the antibacterial and antifungal activity of Alternaria alternata. Twenty six bioactive compounds were identified in methanolic extract of Alternaria alternata. The identification of bioactive chemical compounds is based on ...

  15. Anticancer and antibacterial secondary metabolites from the ...

    African Journals Online (AJOL)

    Background: The emergence of multiple-drug resistance bacteria has become a major threat and thus calls for an urgent need to search for new effective and safe anti-bacterial agents. Objectives: This study aims to evaluate the anticancer and antibacterial activities of secondary metabolites from Penicillium sp., ...

  16. Chemical composition, secondary metabolites, in vitro gas ...

    African Journals Online (AJOL)

    Chemical composition, secondary metabolites, in vitro gas production characteristics and acceptability study of some forage for ruminant feeding in South-Western Nigeria. ... Chemical composition and qualitative analysis of saponins, phenol and steroids of the plants were determined. In vitro gas production (IVGP) was ...

  17. Homeorhetic hormones, metabolites and accelerated growth

    African Journals Online (AJOL)

    Homeorhetic hormones, metabolites and accelerated growth. A.L. Marais and J.G. van der Walt. Rumen Biochemistry, Animal and Dairy Science Research Institute,. Irene 1675, Republic of South Africa. Six newly weaned karakul ewes, three with fat tails and three without tails, were used to investigate the metabolic and hor ...

  18. Organic metabolites produced by Vibrio parahaemolyticus strain ...

    African Journals Online (AJOL)

    Identification and action of several antibacterial metabolites produced by a fish pathogen Vibrio parahaemolyticus strain An3 from marine ecosystem of Goa has been demonstrated. Antibacterial activity of the crude cell extract of the test bacterium has been evaluated against indicator pathogenic bacterial strains such as ...

  19. Secondary metabolites from Scorzonera latifolia roots

    Czech Academy of Sciences Publication Activity Database

    Acikara, O. B.; Šmejkal, K.; Cvačka, Josef; Buděšínský, Miloš; Dračínský, Martin; Saltan, G.

    2015-01-01

    Roč. 81, č. 16 (2015), PM167 ISSN 0032-0943. [GA 2015. International Congress and Annual Meeting of the Society for Medicinal Plant and Natural Product Research /63./. 23.08.2015-27.08.2015, Budapest] Institutional support: RVO:61388963 Keywords : medical plant * metabolites * Asteraceae Subject RIV: CB - Analytical Chemistry, Separation

  20. Antibacterial activity of secondary metabolites isolated from ...

    African Journals Online (AJOL)

    The aims of this study were the analysis of the secondary metabolites and evaluation of the antibacterial and antifungal activity of Alternaria alternata. Twenty six bioactive compounds were identified in methanolic extract of Alternaria alternata. The identification of bioactive chemical compounds is based on the peak area, ...

  1. Blood metabolite concentrations and postpartum resumption of ...

    African Journals Online (AJOL)

    Fred

    2014-01-29

    Jan 29, 2014 ... Abstract. An experiment was conducted to investigate the effect of concentrations of certain blood nutrient- sensitive metabolites and the resumption of postpartum ovarian cyclicity in 16 Sanga cows (mean BCS 5). Blood samples were taken from cows from weeks 1 to 13 (90 days) postpartum, processed ...

  2. MetaboHunter: an automatic approach for identification of metabolites from 1H-NMR spectra of complex mixtures

    Directory of Open Access Journals (Sweden)

    Culf Adrian

    2011-10-01

    Full Text Available Abstract Background One-dimensional 1H-NMR spectroscopy is widely used for high-throughput characterization of metabolites in complex biological mixtures. However, the accurate identification of individual compounds is still a challenging task, particularly in spectral regions with higher peak densities. The need for automatic tools to facilitate and further improve the accuracy of such tasks, while using increasingly larger reference spectral libraries becomes a priority of current metabolomics research. Results We introduce a web server application, called MetaboHunter, which can be used for automatic assignment of 1H-NMR spectra of metabolites. MetaboHunter provides methods for automatic metabolite identification based on spectra or peak lists with three different search methods and with possibility for peak drift in a user defined spectral range. The assignment is performed using as reference libraries manually curated data from two major publicly available databases of NMR metabolite standard measurements (HMDB and MMCD. Tests using a variety of synthetic and experimental spectra of single and multi metabolite mixtures show that MetaboHunter is able to identify, in average, more than 80% of detectable metabolites from spectra of synthetic mixtures and more than 50% from spectra corresponding to experimental mixtures. This work also suggests that better scoring functions improve by more than 30% the performance of MetaboHunter's metabolite identification methods. Conclusions MetaboHunter is a freely accessible, easy to use and user friendly 1H-NMR-based web server application that provides efficient data input and pre-processing, flexible parameter settings, fast and automatic metabolite fingerprinting and results visualization via intuitive plotting and compound peak hit maps. Compared to other published and freely accessible metabolomics tools, MetaboHunter implements three efficient methods to search for metabolites in manually curated

  3. Identification of imidacloprid metabolites in onion (Allium cepa L.) using high-resolution mass spectrometry and accurate mass tools.

    Science.gov (United States)

    Thurman, E Michael; Ferrer, Imma; Zavitsanos, Paul; Zweigenbaum, Jerry A

    2013-09-15

    Imidacloprid is a potent and widely used insecticide on vegetable crops, such as onion (Allium cepa L.). Because of possible toxicity to beneficial insects, imidacloprid and several metabolites have raised safety concerns for pollenating insects, such as honey bees. Thus, imidacloprid metabolites continue to be an important subject for new methods that better understand its dissipation and fate in plants, such as onions. One month after a single addition of imidacloprid to soil containing onion plants, imidacloprid and its metabolites were extracted from pulverized onion with a methanol/water-buffer mixture and analyzed by liquid chromatography/quadrupole time-of-flight mass spectrometry (LC/QTOF-MS) using a labeled imidacloprid internal standard and tandem mass spectrometric (MS/MS) analysis. Accurate mass tools were developed and applied to detect seven new metabolites of imidacloprid with the goal to better understand its fate in onion. The accurate mass tools include: database searching, diagnostic ions, chlorine mass filters, Mass Profiler software, and manual use of metabolic analogy. The new metabolites discovered included an amine reduction product (m/z 226.0854), and its methylated analogue (m/z 240.1010), and five other metabolites, all of unknown toxicity to insects. The accurate mass tools were combined with LC/QTOF-MS and were able to detect both known and new metabolites of imidacloprid using fragmentation studies of both parent and labeled standards. New metabolites and their structures were inferred from these MS/MS studies with accurate mass, which makes it possible to better understand imidacloprid metabolism in onion as well as new metabolite targets for toxicity studies. Copyright © 2013 John Wiley & Sons, Ltd.

  4. Accurate Charge Densities from Powder Diffraction

    DEFF Research Database (Denmark)

    Bindzus, Niels; Wahlberg, Nanna; Becker, Jacob

    Synchrotron powder X-ray diffraction has in recent years advanced to a level, where it has become realistic to probe extremely subtle electronic features. Compared to single-crystal diffraction, it may be superior for simple, high-symmetry crystals owing to negligible extinction effects and minimal...... peak overlap. Additionally, it offers the opportunity for collecting data on a single scale. For charge densities studies, the critical task is to recover accurate and bias-free structure factors from the diffraction pattern. This is the focal point of the present study, scrutinizing the performance...

  5. Comprehensive decay law for emission of charged particles and ...

    Indian Academy of Sciences (India)

    2014-04-07

    Apr 7, 2014 ... the case of alpha, cluster and proton decays are presented together. It is seen that, all of them fall in a single straight line with a common value for slope and intercept. This shows how the decays of charged particles of any Z values from heavy nuclei are governed by a single rule of law, namely, the linear ...

  6. Simulations of charge transport in organic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Vehoff, Thorsten

    2010-05-05

    We study the charge transport properties of organic liquid crystals, i.e. hexabenzocoronene and carbazole macrocycle, and single crystals, i.e. rubrene, indolocarbazole and benzothiophene derivatives (BTBT, BBBT). The aim is to find structure-property relationships linking the chemical structure as well as the morphology with the bulk charge carrier mobility of the compounds. To this end, molecular dynamics (MD) simulations are performed yielding realistic equilibrated morphologies. Partial charges and molecular orbitals are calculated based on single molecules in vacuum using quantum chemical methods. The molecular orbitals are then mapped onto the molecular positions and orientations, which allows calculation of the transfer integrals between nearest neighbors using the molecular orbital overlap method. Thus we obtain realistic transfer integral distributions and their autocorrelations. In case of organic crystals the differences between two descriptions of charge transport, namely semi-classical dynamics (SCD) in the small polaron limit and kinetic Monte Carlo (KMC) based on Marcus rates, are studied. The liquid crystals are investigated solely in the hopping limit. To simulate the charge dynamics using KMC, the centers of mass of the molecules are mapped onto lattice sites and the transfer integrals are used to compute the hopping rates. In the small polaron limit, where the electronic wave function is spread over a limited number of neighboring molecules, the Schroedinger equation is solved numerically using a semi-classical approach. The carbazole macrocycles form columnar structures arranged on a hexagonal lattice with side chains facing inwards, so columns can closely approach each other allowing inter-columnar and thus three-dimensional transport. We are able to show that, on the time-scales of charge transport, static disorder due to slow side chain motions is the main factor determining the mobility. The high mobility of rubrene is explained by two main

  7. Measurement of Neutrino Induced, Charged Current, Charged Pion Production

    Energy Technology Data Exchange (ETDEWEB)

    Wilking, Michael Joseph [Univ. of Colorado, Boulder, CO (United States)

    2009-05-01

    Neutrinos are among the least understood particles in the standard model of particle physics. At neutrino energies in the 1 GeV range, neutrino properties are typically determined by observing the outgoing charged lepton produced in a charged current quasi-elastic interactions. The largest charged current background to these measurements comes from charged current pion production interactions, for which there is very little available data.

  8. Intracellular CHO Cell Metabolite Profiling Reveals Steady-State Dependent Metabolic Fingerprints in Perfusion Culture.

    Science.gov (United States)

    Karst, Daniel J; Steinhoff, Robert F; Kopp, Marie R G; Serra, Elisa; Soos, Miroslav; Zenobi, Renato; Morbidelli, Massimo

    2017-07-01

    Perfusion cell culture processes allow the steady-state culture of mammalian cells at high viable cell density, which is beneficial for overall product yields and homogeneity of product quality in the manufacturing of therapeutic proteins. In this study, the extent of metabolic steady state and the change of the metabolite profile between different steady states of an industrial Chinese hamster ovary (CHO) cell line producing a monoclonal antibody (mAb) was investigated in stirred tank perfusion bioreactors. Matrix-assisted laser desorption/ionization time of flight mass spectrometry (MALDI-TOF-MS) of daily cell extracts revealed more than a hundred peaks, among which 76 metabolites were identified by tandem MS (MS/MS) and high resolution Fourier transform ion cyclotron resonance (FT-ICR) MS. Nucleotide ratios (Uridine (U)-ratio, nucleotide triphosphate (NTP)-ratio and energy charge (EC)) and multivariate analysis of all features indicated a consistent metabolite profile for a stable culture performed at 40 × 10 6 cells/mL over 26 days of culture. Conversely, the reactor was operated continuously so as to reach three distinct steady states one after the other at 20, 60, and 40 × 10 6 cells/mL. In each case, a stable metabolite profile was achieved after an initial transient phase of approximately three days at constant cell density when varying between these set points. Clear clustering according to cell density was observed by principal component analysis, indicating steady-state dependent metabolite profiles. In particular, varying levels of nucleotides, nucleotide sugar, and lipid precursors explained most of the variance between the different cell density set points. © 2016 American Institute of Chemical Engineers Biotechnol. Prog., 33:879-890, 2017. © 2016 American Institute of Chemical Engineers.

  9. An update on organohalogen metabolites produced by basidiomycetes

    NARCIS (Netherlands)

    Field, J.A.; Wijnberg, J.B.P.A.

    2003-01-01

    Basidiomycetes are an ecologically important group of higher fungi known for their widespread capacity to produce organohalogen metabolites. To date, 100 different organohalogen metabolites (mostly chlorinated) have been identified from strains in 70 genera of Basidiomycetes. This manuscript

  10. Discovering the secondary metabolite potential encoded within entomopathogenic fungi.

    Science.gov (United States)

    Gibson, Donna M; Donzelli, Bruno G G; Krasnoff, Stuart B; Keyhani, Nemat O

    2014-10-01

    This highlight discusses the secondary metabolite potential of the insect pathogens Metarhizium and Beauveria, including a bioinformatics analysis of secondary metabolite genes for which no products are yet identified.

  11. Rationalization and prediction of in vivo metabolite exposures: The role of metabolite kinetics, clearance predictions and in vitro parameters

    Science.gov (United States)

    Lutz, Justin D.; Fujioka, Yasushi; Isoherranen, Nina

    2010-01-01

    Importance of the field Due to growing concerns over toxic or active metabolites, significant efforts have been focused on qualitative identification of potential in vivo metabolites from in vitro data. However, limited tools are available to quantitatively predict their human exposures. Areas covered in this review Theory of clearance predictions and metabolite kinetics is reviewed together with supporting experimental data. In vitro and in vivo data of known circulating metabolites and their parent drugs was collected and the predictions of in vivo exposures of the metabolites were evaluated. What the reader will gain The theory and data reviewed will be useful in early identification of human metabolites that will circulate at significant levels in vivo and help in designing in vivo studies that focus on characterization of metabolites. It will also assist in rationalization of metabolite-to-parent ratios used as markers of specific enzyme activity. Take home message The relative importance of a metabolite in comparison to the parent compound as well as other metabolites in vivo can only be predicted using the metabolites in vitro formation and elimination clearances, and the in vivo disposition of a metabolite can only be rationalized when the elimination pathways of that metabolite are known. PMID:20557268

  12. The quasilocalized charge approximation

    International Nuclear Information System (INIS)

    Kalman, G J; Golden, K I; Donko, Z; Hartmann, P

    2005-01-01

    The quasilocalized charge approximation (QLCA) has been used for some time as a formalism for the calculation of the dielectric response and for determining the collective mode dispersion in strongly coupled Coulomb and Yukawa liquids. The approach is based on a microscopic model in which the charges are quasilocalized on a short-time scale in local potential fluctuations. We review the conceptual basis and theoretical structure of the QLC approach and together with recent results from molecular dynamics simulations that corroborate and quantify the theoretical concepts. We also summarize the major applications of the QLCA to various physical systems, combined with the corresponding results of the molecular dynamics simulations and point out the general agreement and instances of disagreement between the two

  13. High Voltage Charge Pump

    KAUST Repository

    Emira, Ahmed A.

    2014-10-09

    Various embodiments of a high voltage charge pump are described. One embodiment is a charge pump circuit that comprises a plurality of switching stages each including a clock input, a clock input inverse, a clock output, and a clock output inverse. The circuit further comprises a plurality of pumping capacitors, wherein one or more pumping capacitors are coupled to a corresponding switching stage. The circuit also comprises a maximum selection circuit coupled to a last switching stage among the plurality of switching stages, the maximum selection circuit configured to filter noise on the output clock and the output clock inverse of the last switching stage, the maximum selection circuit further configured to generate a DC output voltage based on the output clock and the output clock inverse of the last switching stage.

  14. Placental vitamin D metabolism and its associations with circulating vitamin D metabolites in pregnant women.

    Science.gov (United States)

    Park, Heyjun; Wood, Madeleine R; Malysheva, Olga V; Jones, Sara; Mehta, Saurabh; Brannon, Patsy M; Caudill, Marie A

    2017-12-01

    Background: Little is known about placental vitamin D metabolism and its impact on maternal circulating vitamin D concentrations in humans. Objective: This study sought to advance the current understanding of placental vitamin D metabolism and its role in modulating maternal circulating vitamin D metabolites during pregnancy. Design: Nested within a feeding study, 24 healthy pregnant women (26-29 wk of gestation) consumed a single amount of vitamin D (511 IU/d from diet and a cholecalciferol supplement) for 10 wk. Concentrations of placental and blood vitamin D metabolites and placental messenger RNA (mRNA) abundance of vitamin D metabolic pathway components were quantified. In addition, cultured human trophoblasts were incubated with 13 C-cholecalciferol to examine the intracellular generation and secretion of vitamin D metabolites along with the regulation of target genes. Results: In placental tissue, 25-hydroxyvitamin D 3 [25(OH)D 3 ] was strongly correlated ( r = 0.83, P D 3 Moreover, these placental metabolites were strongly correlated ( r ≤ 0.85, P ≤ 0.04) with their respective metabolites in maternal circulation. Positive associations ( P ≤ 0.045) were also observed between placental mRNA abundance of vitamin D metabolic components and circulating vitamin D metabolites [i.e., LDL-related protein 2 ( LRP2 , also known as megalin) with 25(OH)D 3 and the C3 epimer of 25(OH)D 3 [3-epi-25(OH)D 3 ]; cubilin ( CUBN ) with 25(OH)D 3 ; 25-hydroxylase ( CYP2R1 ) with 3-epi-25(OH)D 3 ; 24-hydroxylase ( CYP24A1 ) with 25(OH)D 3 , 3-epi-25(OH)D 3 , and 1,25-dihydroxyvitamin D 3 [1,25(OH) 2 D 3 ]; and 1α-hydroxylase [( CYP27B1 ) with 3-epi-25(OH)D 3 and 1,25(OH) 2 D 3 ]. Notably, in vitro experiments with trophoblasts showed increased production and secretion of 25(OH)D 3 and higher CYP24A1 gene transcript abundance in response to cholecalciferol treatment. Conclusions: The numerous associations of many of the placental biomarkers of vitamin D metabolism with

  15. Interaction between heterogeneously charged surfaces: surface patches and charge modulation.

    Science.gov (United States)

    Ben-Yaakov, Dan; Andelman, David; Diamant, Haim

    2013-02-01

    When solid surfaces are immersed in aqueous solutions, some of their charges can dissociate and leave behind charged patches on the surface. Although the charges are distributed heterogeneously on the surface, most of the theoretical models treat them as homogeneous. For overall non-neutral surfaces, the assumption of surface charge homogeneity is rather reasonable since the leading terms of two such interacting surfaces depend on the nonzero average charge. However, for overall neutral surfaces the nature of the surface charge distribution is crucial in determining the intersurface interaction. In the present work we study the interaction between two charged surfaces across an aqueous solution for several charge distributions. The analysis is preformed within the framework of the linearized Poisson-Boltzmann theory. For periodic charge distributions the interaction is found to be repulsive at small separations, unless the two surface distributions are completely out-of-phase with respect to each other. For quenched random charge distributions we find that due to the presence of the ionic solution in between the surfaces, the intersurface repulsion dominates over the attraction in the linear regime of the Poisson-Boltzmann theory. The effect of quenched charge heterogeneity is found to be particularly substantial in the case of large charged domains.

  16. Charged particle analyzer PLAZMAG

    International Nuclear Information System (INIS)

    Apathy, Istvan; Endroeczy, Gabor; Szemerey, Istvan; Szendroe, Sandor

    1985-01-01

    The scientific task of the charged particle analyzer PLAZMAG, a part of the VEGA space probe, and the physical background of the measurements are described. The sensor of the device face the Sun and the comet Halley measuring the energy and mass spectrum of ion and electron components of energies lower than 25 keV. The tasks of the individual electronic parts, the design aspects and the modes of operation in different phases of the flight are dealt with. (author)

  17. Hidden charged dark matter

    International Nuclear Information System (INIS)

    Feng, Jonathan L.; Kaplinghat, Manoj; Tu, Huitzu; Yu, Hai-Bo

    2009-01-01

    Can dark matter be stabilized by charge conservation, just as the electron is in the standard model? We examine the possibility that dark matter is hidden, that is, neutral under all standard model gauge interactions, but charged under an exact (\\rm U)(1) gauge symmetry of the hidden sector. Such candidates are predicted in WIMPless models, supersymmetric models in which hidden dark matter has the desired thermal relic density for a wide range of masses. Hidden charged dark matter has many novel properties not shared by neutral dark matter: (1) bound state formation and Sommerfeld-enhanced annihilation after chemical freeze out may reduce its relic density, (2) similar effects greatly enhance dark matter annihilation in protohalos at redshifts of z ∼ 30, (3) Compton scattering off hidden photons delays kinetic decoupling, suppressing small scale structure, and (4) Rutherford scattering makes such dark matter self-interacting and collisional, potentially impacting properties of the Bullet Cluster and the observed morphology of galactic halos. We analyze all of these effects in a WIMPless model in which the hidden sector is a simplified version of the minimal supersymmetric standard model and the dark matter is a hidden sector stau. We find that charged hidden dark matter is viable and consistent with the correct relic density for reasonable model parameters and dark matter masses in the range 1 GeV ∼ X ∼< 10 TeV. At the same time, in the preferred range of parameters, this model predicts cores in the dark matter halos of small galaxies and other halo properties that may be within the reach of future observations. These models therefore provide a viable and well-motivated framework for collisional dark matter with Sommerfeld enhancement, with novel implications for astrophysics and dark matter searches

  18. Metabolite Depletion Affects Flux Profiling of Cell Lines

    DEFF Research Database (Denmark)

    Nilsson, A.; Haanstra, J. R.; Teusink, B.

    2018-01-01

    Quantifying the rate of consumption and release of metabolites (i.e., flux profiling) has become integral to the study of cancer. The fluxes as well as the growth of the cells may be affected by metabolite depletion during cultivation.......Quantifying the rate of consumption and release of metabolites (i.e., flux profiling) has become integral to the study of cancer. The fluxes as well as the growth of the cells may be affected by metabolite depletion during cultivation....

  19. Search for fractional charge

    International Nuclear Information System (INIS)

    Turner, R.E.

    1984-01-01

    A search was made for fractional charges of the form Z plus two-thirds e, where Z is an integer. It was assumed that the charges exist in natural form bound with other fractional charges in neutral molecules. It was further assumed that these neutral molecules are present in air. Two concentration schemes were employed. One sample was derived from the waste gases from a xenon distillation plant. This assumes that high mass, low vapor pressure components of air are concentrated along with the xenon. The second sample involved ionizing air, allowing a brief recombination period, and then collecting residual ions on the surface of titanium discs. Both samples were analyzed at the University of Rochester in a system using a tandem Van de Graff to accelerate particles through an essentially electrostatic beam handling system. The detector system employed both a Time of Flight and an energy-sensitive gas ionization detector. In the most sensitive mode of analysis, a gas absorber was inserted in the beam path to block the intense background. The presence of an absorber limited the search to highly penetrating particles. Effectively, this limited the search to particles with low Z and masses greater than roughly fifty GeV. The final sensitivities attained were on the order of 1 x 10 -20 for the ionized air sample and 1 x 10 -21 for the gas sample. A discussion of the caveats that could reduce the actual level of sensitivity is included

  20. Proximity effect and charging in mesoscopic normal metal-superconductor junction systems

    International Nuclear Information System (INIS)

    Bruder, C.; Fazio, R.; Schoen, G.

    1994-01-01

    The proximity effect influences the transport properties of normal metal-superconductor heterostructures. If these systems are small they exhibit pronounced charging effects. We show that charging suppresses the proximity effect. The effect can be made visible since the charging energy and hence the proximity effect can be modulated by gate voltages. We derive these results in a unified formulation which also describes single electron tunneling, Andreev reflection and the supercurrent through normal-superconductor systems in the presence of charging effects. (orig.)

  1. Genetics Home Reference: CHARGE syndrome

    Science.gov (United States)

    ... combination of major and minor characteristics. The major characteristics of CHARGE syndrome are common in this disorder and occur less ... and unusually shaped external ears. While the minor characteristics of CHARGE syndrome are common in this disorder, they are also ...

  2. SPE-NMR metabolite sub-profiling of urine

    NARCIS (Netherlands)

    Jacobs, D.M.; Spiesser, L.; Garnier, M.; Roo, de N.; Dorsten, van F.; Hollebrands, B.; Velzen, van E.; Draijer, R.; Duynhoven, van J.P.M.

    2012-01-01

    NMR-based metabolite profiling of urine is a fast and reproducible method for detection of numerous metabolites with diverse chemical properties. However, signal overlap in the (1)H NMR profiles of human urine may hamper quantification and identification of metabolites. Therefore, a new method has

  3. Identifying diseases-related metabolites using random walk.

    Science.gov (United States)

    Hu, Yang; Zhao, Tianyi; Zhang, Ningyi; Zang, Tianyi; Zhang, Jun; Cheng, Liang

    2018-04-11

    Metabolites disrupted by abnormal state of human body are deemed as the effect of diseases. In comparison with the cause of diseases like genes, these markers are easier to be captured for the prevention and diagnosis of metabolic diseases. Currently, a large number of metabolic markers of diseases need to be explored, which drive us to do this work. The existing metabolite-disease associations were extracted from Human Metabolome Database (HMDB) using a text mining tool NCBO annotator as priori knowledge. Next we calculated the similarity of a pair-wise metabolites based on the similarity of disease sets of them. Then, all the similarities of metabolite pairs were utilized for constructing a weighted metabolite association network (WMAN). Subsequently, the network was utilized for predicting novel metabolic markers of diseases using random walk. Totally, 604 metabolites and 228 diseases were extracted from HMDB. From 604 metabolites, 453 metabolites are selected to construct the WMAN, where each metabolite is deemed as a node, and the similarity of two metabolites as the weight of the edge linking them. The performance of the network is validated using the leave one out method. As a result, the high area under the receiver operating characteristic curve (AUC) (0.7048) is achieved. The further case studies for identifying novel metabolites of diabetes mellitus were validated in the recent studies. In this paper, we presented a novel method for prioritizing metabolite-disease pairs. The superior performance validates its reliability for exploring novel metabolic markers of diseases.

  4. Antibacterial secondary metabolites from the cave sponge Xestospongia sp.

    Science.gov (United States)

    Ankisetty, Sridevi; Slattery, Marc

    2012-05-01

    Chemical investigation of the cave sponge Xestospongia sp. resulted in the isolation of three new polyacetylenic long chain compounds along with two known metabolites. The structures of the new metabolites were established by NMR and MS analyses. The antibacterial activity of the new metabolites was also evaluated.

  5. Antibacterial Secondary Metabolites from the Cave Sponge Xestospongia sp

    OpenAIRE

    Ankisetty, Sridevi; Slattery, Marc

    2012-01-01

    Chemical investigation of the cave sponge Xestospongia sp. resulted in the isolation of three new polyacetylenic long chain compounds along with two known metabolites. The structures of the new metabolites were established by NMR and MS analyses. The antibacterial activity of the new metabolites was also evaluated.

  6. Pion double charge exchange in the Δ33 resonance region

    International Nuclear Information System (INIS)

    Wirzba, A.; Toki, H.; Siciliano, E.R.; Johnson, M.B.; Gilman, R.

    1989-01-01

    We examine the model dependence and nuclear-structure sensitivity of several Δ 33 -dominated processes contributing to pion double charge exchange on nuclei in the region of the Δ 33 resonance. These processes include the Δ 33 -nucleon interaction V NΔ and sequential scattering, in which the pion undergoes single charge exchange on two different nucleons. In all cases, the scattering takes place through the exchange of an intermediate π and ρ meson. Sequential-mediated double charge exchange is found to be only moderately sensitive to short-range correlations, meson-nucleon form factors, and the rho meson, whereas V NΔ -mediated double charge exchange is very sensitive to all these effects. Results are given for double charge exchange on 18 O (double isobaric analog transitions) and 16 O (nonanalog transitions). Sequential double charge exchange is shown to favor non-spin-flip matrix elements of the transition operator whereas V NΔ -mediated double charge exchange favors spin-flip matrix elements. The energy dependence of the zero-degree cross sections for V NΔ and sequential scattering are also different: Sequential tends to increase monotonically from 100 to 300 MeV, whereas V NΔ peaks at about 150 MeV. The delta-nucleon interaction is found likely to dominate over sequential scattering in nonanalog double charge exchange. The V NΔ is also large in analog double charge exchange, but it does not enable us to explain the anomalous behavior of the 18 O differential cross sections

  7. Improving Charging-Breeding Simulations with Space-Charge Effects

    Science.gov (United States)

    Bilek, Ryan; Kwiatkowski, Ania; Steinbrügge, René

    2016-09-01

    Rare-isotope-beam facilities use Highly Charged Ions (HCI) for accelerators accelerating heavy ions and to improve measurement precision and resolving power of certain experiments. An Electron Beam Ion Trap (EBIT) is able to create HCI through successive electron impact, charge breeding trapped ions into higher charge states. CBSIM was created to calculate successive charge breeding with an EBIT. It was augmented by transferring it into an object-oriented programming language, including additional elements, improving ion-ion collision factors, and exploring the overlap of the electron beam with the ions. The calculation is enhanced with the effects of residual background gas by computing the space charge due to charge breeding. The program assimilates background species, ionizes and charge breeds them alongside the element being studied, and allows them to interact with the desired species through charge exchange, giving fairer overview of realistic charge breeding. Calculations of charge breeding will be shown for realistic experimental conditions. We reexamined the implementation of ionization energies, cross sections, and ion-ion interactions when charge breeding.

  8. Charge orders in organic charge-transfer salts

    Science.gov (United States)

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

    2017-10-01

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

  9. Spatio-Temporal Metabolite Profiling of the Barley Germination Process by MALDI MS Imaging.

    Directory of Open Access Journals (Sweden)

    Karin Gorzolka

    Full Text Available MALDI mass spectrometry imaging was performed to localize metabolites during the first seven days of the barley germination. Up to 100 mass signals were detected of which 85 signals were identified as 48 different metabolites with highly tissue-specific localizations. Oligosaccharides were observed in the endosperm and in parts of the developed embryo. Lipids in the endosperm co-localized in dependency on their fatty acid compositions with changes in the distributions of diacyl phosphatidylcholines during germination. 26 potentially antifungal hordatines were detected in the embryo with tissue-specific localizations of their glycosylated, hydroxylated, and O-methylated derivates. In order to reveal spatio-temporal patterns in local metabolite compositions, multiple MSI data sets from a time series were analyzed in one batch. This requires a new preprocessing strategy to achieve comparability between data sets as well as a new strategy for unsupervised clustering. The resulting spatial segmentation for each time point sample is visualized in an interactive cluster map and enables simultaneous interactive exploration of all time points. Using this new analysis approach and visualization tool germination-dependent developments of metabolite patterns with single MS position accuracy were discovered. This is the first study that presents metabolite profiling of a cereals' germination process over time by MALDI MSI with the identification of a large number of peaks of agronomically and industrially important compounds such as oligosaccharides, lipids and antifungal agents. Their detailed localization as well as the MS cluster analyses for on-tissue metabolite profile mapping revealed important information for the understanding of the germination process, which is of high scientific interest.

  10. Direct coupling of electromembrane extraction to mass spectrometry - Advancing the probe functionality toward measurements of zwitterionic drug metabolites.

    Science.gov (United States)

    Rye, Torstein Kige; Fuchs, David; Pedersen-Bjergaard, Stig; Petersen, Nickolaj Jacob

    2017-08-29

    A triple-flow electromembrane extraction (EME) probe was developed and coupled directly to electrospray-ionization mass spectrometry (ESI-MS). Metabolic reaction mixtures (pH 7.4) containing drug substances and related metabolites were continuously drawn (20 μL/min) into the EME probe in one flow channel, and mixed inside the probe with 7.5 μL min -1 of 1 M formic acid as make-up flow from a second flow channel. Following this acidification, the drug substances and their related metabolites were continuously extracted by EME at 400 V, across a supported liquid membrane (SLM) comprising 2-nitrophenyl octyl ether (and for some experiments containing 30% triphenyl phosphate (TPP)), and into 20 μL min -1 of formic acid as acceptor phase, which was introduced through a third flow channel. The acceptor phase was pumped directly to the MS system, and the ion intensity of extracted analytes was followed continuously as function of time. The triple-flow EME probe was used for co-extraction of positively charged parent drugs and their zwitterionic drug metabolites (hydroxyzine and its carboxylic acid metabolite cetirizine; and vortioxetine and its carboxylic acid metabolite Lu AA34443). While the zwitterionic metabolites could not be extracted at pH 7.4, it was shown that by acidifying the sample solution the zwitterionic metabolites could be extracted effectively. Various extraction parameters like make-up flow, extraction voltage and SLM composition were optimized for simultaneous extraction of parent drugs and metabolites. It was found that TPP added to the SLM improved extraction efficiencies of certain drug metabolites. Finally the optimized and characterized triple-flow EME probe was used for online studying the in-vitro metabolism of hydroxyzine and vortioxetine by rat liver microsomes. Due to the automated pre-extraction acidification of the rat liver microsomal solutions, it was possible to continuously monitor formation of the zwitterionic drug

  11. Identification of drug metabolites in human plasma or serum integrating metabolite prediction, LC-HRMS and untargeted data processing

    NARCIS (Netherlands)

    Jacobs, P.L.; Ridder, L.; Ruijken, M.; Rosing, H.; Jager, N.G.L.; Beijnen, J.H.; Bas, R.R.; Dongen, W.D. van

    2013-01-01

    Background: Comprehensive identification of human drug metabolites in first-in-man studies is crucial to avoid delays in later stages of drug development. We developed an efficient workflow for systematic identification of human metabolites in plasma or serum that combines metabolite prediction,

  12. Detecting monopole charge in Weyl semimetals via quantum interference transport

    Science.gov (United States)

    Dai, Xin; Lu, Hai-Zhou; Shen, Shun-Qing; Yao, Hong

    2016-04-01

    Topological Weyl semimetals can host Weyl nodes with monopole charges in momentum space. How to detect the signature of the monopole charges in quantum transport remains a challenging topic. Here, we reveal the connection between the parity of monopole charge in topological semimetals and the quantum interference corrections to the conductivity. We show that the parity of monopole charge determines the sign of the quantum interference correction, with odd and even parity yielding the weak antilocalization and weak localization effects, respectively. This is attributed to the Berry phase difference between time-reversed trajectories circulating the Fermi sphere that encloses the monopole charges. From standard Feynman diagram calculations, we further show that the weak-field magnetoconductivity at low temperatures is proportional to +√{B } in double-Weyl semimetals and -√{B } in single-Weyl semimetals, respectively, which could be verified experimentally.

  13. Biologically Active Metabolites Synthesized by Microalgae

    Directory of Open Access Journals (Sweden)

    Michele Greque de Morais

    2015-01-01

    Full Text Available Microalgae are microorganisms that have different morphological, physiological, and genetic traits that confer the ability to produce different biologically active metabolites. Microalgal biotechnology has become a subject of study for various fields, due to the varied bioproducts that can be obtained from these microorganisms. When microalgal cultivation processes are better understood, microalgae can become an environmentally friendly and economically viable source of compounds of interest, because production can be optimized in a controlled culture. The bioactive compounds derived from microalgae have anti-inflammatory, antimicrobial, and antioxidant activities, among others. Furthermore, these microorganisms have the ability to promote health and reduce the risk of the development of degenerative diseases. In this context, the aim of this review is to discuss bioactive metabolites produced by microalgae for possible applications in the life sciences.

  14. Biologically Active Metabolites Synthesized by Microalgae.

    Science.gov (United States)

    de Morais, Michele Greque; Vaz, Bruna da Silva; de Morais, Etiele Greque; Costa, Jorge Alberto Vieira

    2015-01-01

    Microalgae are microorganisms that have different morphological, physiological, and genetic traits that confer the ability to produce different biologically active metabolites. Microalgal biotechnology has become a subject of study for various fields, due to the varied bioproducts that can be obtained from these microorganisms. When microalgal cultivation processes are better understood, microalgae can become an environmentally friendly and economically viable source of compounds of interest, because production can be optimized in a controlled culture. The bioactive compounds derived from microalgae have anti-inflammatory, antimicrobial, and antioxidant activities, among others. Furthermore, these microorganisms have the ability to promote health and reduce the risk of the development of degenerative diseases. In this context, the aim of this review is to discuss bioactive metabolites produced by microalgae for possible applications in the life sciences.

  15. Metabolite production by differnt Ulocladium species

    DEFF Research Database (Denmark)

    Andersen, Birgitte; Hollensted, Morten

    2008-01-01

    Ulocladium, which is phylogenetically related to Alternaria, contains species that are food spoilers and plant pathogens, but also species that have potential as enzyme producers and bio-control agents. Ulocladium spp. are often found on dead vegetation, in soil, air and dust, but also on food...... metabolites was correlated to species identity and source of isolation (substratum). Chemical analyses corroborated the morphological identifications and showed the existence of several species species-specific metabolites, of which most were known Compounds. The production of curvularins was specific...... to Ulocladium atrum, while most species produced infectopyrones and derivatives of altertoxin I. None of the 52 Ulocladium strains produced alternariols, tenuazonic acid, altersolanols or macrosporin, which are common in species of Alternaria. (c) 2008 Elsevier B.V. All rights reserved...

  16. Vitamin D metabolites in human milk

    International Nuclear Information System (INIS)

    Weisman, Y.; Bawnik, J.C.; Eisenberg, Z.; Spirer, Z.

    1982-01-01

    The concentrations of unconjugated 25-OHD, 24, 25(OH)2D, and 1,25(OH)2D were measured in human milk by competitive protein-binding radioassays following successive preparative Sephadex LH-20 chromatography and HPLC. The mean (+/- SE) concentration of 25-OHD was 0.37 +/- 0.03 ng/ml, of 24,25(OH)2D was 24.8 +/- 1.9 pg/ml, and of 1,25(OH)2D was 2.2 +/-0.1 pg/ml. The concentration of 25-OHD3 in milk as determined by HPLC and UV detection at 254 nm was 0.27 +/- 0.08 ng/ml. The milk concentrations of vitamin D metabolites did not correlate with the maternal serum 25-OHD levels. The total amounts of unconjugated vitamin D metabolites correspond to the known low bioassayable vitamin D antirachitic activity in human milk

  17. The neurotoxicity of pyridinium metabolites of haloperidol

    Directory of Open Access Journals (Sweden)

    Agnieszka Górska

    2015-10-01

    Full Text Available Haloperydol is a butyrophenone, typical neuroleptic agent characterized as a high antipsychotics effects in the treatment of schizophrenia and in palliative care to alleviation many syndromes, such as naursea, vomiting and delirium. Clinical problems occurs during and after administration of the drug are side effects, particularly extrapyrramidal symptoms (EPS. The neurotoxicity of haloperydol may be initiated by the cationic metabolites of haloperydol, HPP+, RHPP+, formed by oxidation and reduction pathways. These metabolites are transported by human organic cation transporters (hOCT to several brain structures for exapmle, in substantia nigra, striatum, caudate nucleus, hippocampus. After reaching the dopaminergic neurons inhibits mitochondrial complex I, evidence for free radical involvement, thus leading to neurodegeneration.

  18. Biologically Active Metabolites Synthesized by Microalgae

    Science.gov (United States)

    Costa, Jorge Alberto Vieira

    2015-01-01

    Microalgae are microorganisms that have different morphological, physiological, and genetic traits that confer the ability to produce different biologically active metabolites. Microalgal biotechnology has become a subject of study for various fields, due to the varied bioproducts that can be obtained from these microorganisms. When microalgal cultivation processes are better understood, microalgae can become an environmentally friendly and economically viable source of compounds of interest, because production can be optimized in a controlled culture. The bioactive compounds derived from microalgae have anti-inflammatory, antimicrobial, and antioxidant activities, among others. Furthermore, these microorganisms have the ability to promote health and reduce the risk of the development of degenerative diseases. In this context, the aim of this review is to discuss bioactive metabolites produced by microalgae for possible applications in the life sciences. PMID:26339647

  19. Role of metabolites of cyclophosphamide in cardiotoxicity

    OpenAIRE

    Kurauchi, Koichiro; Nishikawa, Takuro; Miyahara, Emiko; Okamoto, Yasuhiro; Kawano, Yoshifumi

    2017-01-01

    Background The dose-limiting toxic effect of cyclophosphamide (CY) is cardiotoxicity. The pathogenesis of myocardial damage is poorly understood, and there is no established means of prevention. In previous studies, we suggested that for CY-induced cardiotoxicity, whereas acrolein is the key toxic metabolite, carboxyethylphosphoramide mustard (CEPM) is protective. We sought to verify that acrolein is the main cause of cardiotoxicity and to investigate whether aldehyde dehydrogenase (ALDH), wh...

  20. Research for the lichen Usnea barbata metabolites.

    Science.gov (United States)

    Bazarnova, Yulia; Politaeva, Natalia; Lyskova, Nadegda

    2018-03-29

    This work presents investigations of biologically active metabolites of Usnea barbata lichen. Extraction conditions for usnic acid and other biologically active phytocomponents using various solvent systems were chosen. Modern analytical techniques were used to study composition of the obtained extracts; usnic acid and phenolic compound contents were estimated. Antioxidant activity and antimicrobial properties of lichen dry extract against bacteria Bacillus subtilis and Pseudomonas fluorescens were studied.

  1. Transition density of charge-exchange processes

    International Nuclear Information System (INIS)

    Lovas, R.G.

    1983-01-01

    The transition density between parent and analogue states is studied with special reference to its role in charge-exchange nuclear reactions. The structure of the target nucleus is described in a perturbative approach, in which the Coulomb and asymmetry potentials mix the eigenstates of a charge-independent single-particle Hamiltonian. In this model formulae are derived for the transition density, the Coulomb displacement energy and the neutron-proton density difference, and their relationship is used to estimate the transition density. This estimate shows that: the largest contribution comes from the density of the excess neutrons; the weight of the Coulomb-mixing effect is small up to excess neutron number 10, and grows rapidly beyond; the weight of the core polarization term induced by the excess neutrons is modest and is the same for all nuclei. It is indicated that the Coulomb effect may explain the departure from the Lane model of nucleon charge-exchange scattering found for heavy nuclei, whereas the core polarization may account for the observed anomalous dependence of the deg 0 pion charge-exchange cross section on the number of excess neutrons. (author)

  2. Theory of charged impurity scattering in two dimensional graphene

    OpenAIRE

    Adam, S.; Hwang, E. H.; Rossi, E.; Sarma, S. Das

    2008-01-01

    We review the physics of charged impurities in the vicinity of graphene. The long-range nature of Coulomb impurities affects both the nature of the ground state density profile as well as graphene's transport properties. We discuss the screening of a single Coulomb impurity and the ensemble averaged density profile of graphene in the presence of many randomly distributed impurities. Finally, we discuss graphene's transport properties due to scattering off charged impurities both at low and hi...

  3. Multiferroicity of carbon-based charge-transfer magnets.

    Science.gov (United States)

    Qin, Wei; Gong, Maogang; Chen, Xiaomin; Shastry, Tejas A; Sakidja, Ridwan; Yuan, Guoliang; Hersam, Mark C; Wuttig, Manfred; Ren, Shenqiang

    2015-01-27

    A new type of carbon charge-transfer magnet, consisting of a fullerene acceptor and single-walled carbon nanotube donor, is demonstrated, which exhibits room temperature ferromagnetism and magnetoelectric (ME) coupling. In addition, external stimuli (electric/magnetic/elastic field) and the concentration of a nanocarbon complex enable the tunabilities of the magnetization and ME coupling due to the control of the charge transfer. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Quantum theory of space charge limited current in solids

    Energy Technology Data Exchange (ETDEWEB)

    González, Gabriel, E-mail: gabriel.gonzalez@uaslp.mx [Cátedras Conacyt, Universidad Autónoma de San Luis Potosí, San Luis Potosí 78000, Mexico and Coordinación para la Innovación y la Aplicación de la Ciencia y la Tecnología, Universidad Autónoma de San Luis Potosí, San Luis Potosí 78000 (Mexico)

    2015-02-28

    We present a quantum model of space charge limited current transport inside trap-free solids with planar geometry in the mean field approximation. We use a simple transformation which allows us to find the exact analytical solution for the steady state current case. We use our approach to find a Mott-Gurney like behavior and the mobility for single charge carriers in the quantum regime in solids.

  5. Transfer of metabolites across the peroxisomal membrane.

    Science.gov (United States)

    Antonenkov, Vasily D; Hiltunen, J Kalervo

    2012-09-01

    Peroxisomes perform a large variety of metabolic functions that require a constant flow of metabolites across the membranes of these organelles. Over the last few years it has become clear that the transport machinery of the peroxisomal membrane is a unique biological entity since it includes nonselective channels conducting small solutes side by side with transporters for 'bulky' solutes such as ATP. Electrophysiological experiments revealed several channel-forming activities in preparations of plant, mammalian, and yeast peroxisomes and in glycosomes of Trypanosoma brucei. The properties of the first discovered peroxisomal membrane channel - mammalian Pxmp2 protein - have also been characterized. The channels are apparently involved in the formation of peroxisomal shuttle systems and in the transmembrane transfer of various water-soluble metabolites including products of peroxisomal β-oxidation. These products are processed by a large set of peroxisomal enzymes including carnitine acyltransferases, enzymes involved in the synthesis of ketone bodies, thioesterases, and others. This review discusses recent data pertaining to solute permeability and metabolite transport systems in peroxisomal membranes and also addresses mechanisms responsible for the transfer of ATP and cofactors such as an ATP transporter and nudix hydrolases. Copyright © 2012 Elsevier B.V. All rights reserved.

  6. Phthalate Metabolites, Consumer Habits and Health Effects

    Directory of Open Access Journals (Sweden)

    Peter Wallner

    2016-07-01

    Full Text Available Phthalates are multifunctional chemicals used in a wide variety of consumer products. The aim of this study was to investigate whether levels of urinary phthalate metabolites in urine samples of Austrian mothers and their children were associated with consumer habits and health indicators. Within an Austrian biomonitoring survey, urine samples from 50 mother-child pairs of five communities (two-stage random stratified sampling were analysed. The concentrations of 14 phthalate metabolites were determined, and a questionnaire was administered. Monoethyl phthalate (MEP, mono-n-butyl phthalate (MnBP, mono-isobutyl phthalate (MiBP, monobenzyl phthalate (MBzP, mono-(2-ethylhexyl phthalate (MEHP, mono-(2-ethyl-5-hydroxyhexyl phthalate (5OH-MEHP, mono-(2-ethyl-5-oxohexyl phthalate (5oxo-MEHP, mono-(5-carboxy-2-ethylpentyl phthalate (5cx-MEPP, and 3-carboxy-mono-propyl phthalate (3cx-MPP could be quantified in the majority of samples. Significant correlations were found between the use of hair mousse, hair dye, makeup, chewing gum, polyethylene terephthalate (PET bottles and the diethyl phthalate (DEP metabolite MEP. With regard to health effects, significant associations of MEP in urine with headache, repeated coughing, diarrhoea, and hormonal problems were observed. MBzP was associated with repeated coughing and MEHP was associated with itching.

  7. Antiproton charge radius

    Science.gov (United States)

    Crivelli, P.; Cooke, D.; Heiss, M. W.

    2016-09-01

    The upcoming operation of the extra low energy antiprotons ring at CERN, the upgrade of the antiproton decelerator (AD), and the installation in the AD hall of an intense slow positron beam with an expected flux of 1 08 e+ /s will open the possibility for new experiments with antihydrogen (H ¯). Here we propose a scheme to measure the Lamb shift of H ¯. For four months of data taking, we anticipate an uncertainty of 100 ppm. This will provide a test of C P T and the first determination of the antiproton charge radius at the level of 10%.

  8. Charging C60 islands with the AFM tip

    Science.gov (United States)

    Hoff, Brice; Henry, Claude R.; Barth, Clemens

    2015-12-01

    We show that electrons can be transferred on demand from an AFM tip into single bulk-like C60 islands, which are supported on the insulating NaCl(001) surface. We exemplify this by controlled charge-manipulation experiments conducted in ultrahigh vacuum by noncontact AFM (nc-AFM), electrostatic force microscopy (EFM) and Kelvin probe force microscopy (KPFM). KPFM shows a homogeneous contrast at the islands, which is a signature for an equal distribution of the electrons in the T1u band. The charge dissipates during half a day due to an interaction of the charged C60 islands with defects in the near surface region of NaCl. Our results open the perspective in photo-voltaics to study charge attachment, stability and charge exchange with the environment of any C60 bulk-like system.We show that electrons can be transferred on demand from an AFM tip into single bulk-like C60 islands, which are supported on the insulating NaCl(001) surface. We exemplify this by controlled charge-manipulation experiments conducted in ultrahigh vacuum by noncontact AFM (nc-AFM), electrostatic force microscopy (EFM) and Kelvin probe force microscopy (KPFM). KPFM shows a homogeneous contrast at the islands, which is a signature for an equal distribution of the electrons in the T1u band. The charge dissipates during half a day due to an interaction of the charged C60 islands with defects in the near surface region of NaCl. Our results open the perspective in photo-voltaics to study charge attachment, stability and charge exchange with the environment of any C60 bulk-like system. Electronic supplementary information (ESI) available. See DOI: 10.1039/C5NR04541J

  9. Analysis of Intracellular Metabolites from Microorganisms: Quenching and Extraction Protocols.

    Science.gov (United States)

    Pinu, Farhana R; Villas-Boas, Silas G; Aggio, Raphael

    2017-10-23

    Sample preparation is one of the most important steps in metabolome analysis. The challenges of determining microbial metabolome have been well discussed within the research community and many improvements have already been achieved in last decade. The analysis of intracellular metabolites is particularly challenging. Environmental perturbations may considerably affect microbial metabolism, which results in intracellular metabolites being rapidly degraded or metabolized by enzymatic reactions. Therefore, quenching or the complete stop of cell metabolism is a pre-requisite for accurate intracellular metabolite analysis. After quenching, metabolites need to be extracted from the intracellular compartment. The choice of the most suitable metabolite extraction method/s is another crucial step. The literature indicates that specific classes of metabolites are better extracted by different extraction protocols. In this review, we discuss the technical aspects and advancements of quenching and extraction of intracellular metabolite analysis from microbial cells.

  10. The WEIZMASS spectral library for high-confidence metabolite identification.

    Science.gov (United States)

    Shahaf, Nir; Rogachev, Ilana; Heinig, Uwe; Meir, Sagit; Malitsky, Sergey; Battat, Maor; Wyner, Hilary; Zheng, Shuning; Wehrens, Ron; Aharoni, Asaph

    2016-08-30

    Annotation of metabolites is an essential, yet problematic, aspect of mass spectrometry (MS)-based metabolomics assays. The current repertoire of definitive annotations of metabolite spectra in public MS databases is limited and suffers from lack of chemical and taxonomic diversity. Furthermore, the heterogeneity of the data prevents the development of universally applicable metabolite annotation tools. Here we present a combined experimental and computational platform to advance this key issue in metabolomics. WEIZMASS is a unique reference metabolite spectral library developed from high-resolution MS data acquired from a structurally diverse set of 3,540 plant metabolites. We also present MatchWeiz, a multi-module strategy using a probabilistic approach to match library and experimental data. This strategy allows efficient and high-confidence identification of dozens of metabolites in model and exotic plants, including metabolites not previously reported in plants or found in few plant species to date.

  11. O--H charge exchange in cold, dense, hydrogen plasmas

    International Nuclear Information System (INIS)

    Cohen, S.A.; Dylla, H.F.

    1977-05-01

    It is pointed out that the accidentally resonant charge exchange reaction, O + + H 0 reverse arrows O 0 + H + , is an important mechanism for causing the loss of singly charged oxygen ions from oxygen contaminated hydrogen plasmas. Results of a Monte Carlo simulation are presented which show that the fraction of oxygen lost because of charge exchange exceeds 1 / 3 when the parameters n/sub e/ approx. 10 13 cm -3 , n/sub H//sup o/ approx. 10 11 cm -3 and T/sub e/ approx. 3 eV are attained

  12. Charged Galileon black holes

    International Nuclear Information System (INIS)

    Babichev, Eugeny; Charmousis, Christos; Hassaine, Mokhtar

    2015-01-01

    We consider an Abelian gauge field coupled to a particular truncation of Horndeski theory. The Galileon field has translation symmetry and couples non minimally both to the metric and the gauge field. When the gauge-scalar coupling is zero the gauge field reduces to a standard Maxwell field. By taking into account the symmetries of the action, we construct charged black hole solutions. Allowing the scalar field to softly break symmetries of spacetime we construct black holes where the scalar field is regular on the black hole event horizon. Some of these solutions can be interpreted as the equivalent of Reissner-Nordstrom black holes of scalar tensor theories with a non trivial scalar field. A self tuning black hole solution found previously is extended to the presence of dyonic charge without affecting whatsoever the self tuning of a large positive cosmological constant. Finally, for a general shift invariant scalar tensor theory we demonstrate that the scalar field Ansatz and method we employ are mathematically compatible with the field equations. This opens up the possibility for novel searches of hairy black holes in a far more general setting of Horndeski theory

  13. Charged boson stars

    Science.gov (United States)

    Pugliese, Daniela; Quevedo, Hernando; Rueda H., Jorge A.; Ruffini, Remo

    2013-07-01

    We study time-independent, spherically symmetric, self-gravitating systems minimally coupled to a scalar field with U(1) gauge symmetry: charged boson stars. We find numerical solutions to the Einstein-Maxwell equations coupled to the relativistic Klein-Gordon equation. It is shown that bound stable configurations exist only for values of the coupling constant less than or equal to a certain critical value. The metric coefficients and the relevant physical quantities, such as the total mass and charge, turn out to be, in general, bound functions of the radial coordinate, reaching their maximum values at a critical value of the scalar field at the origin. We discuss the stability problem from both the quantitative and qualitative point of view. We take into account the electromagnetic contribution to the total mass and investigate the stability issue considering the binding energy per particle. We verify the existence of configurations with positive binding energy in which objects that are apparently bound can be unstable against small perturbations, in full analogy with the effect observed in the mass-radius relation of neutron stars.

  14. Taxonomic Characterization and Secondary Metabolite Profiling of Aspergillus Section Aspergillus Contaminating Feeds and Feedstuffs

    Directory of Open Access Journals (Sweden)

    Mariana Greco

    2015-09-01

    Full Text Available Xerophilic fungal species of the genus Aspergillus are economically highly relevant due to their ability to grow on low water activity substrates causing spoilage of stored goods and animal feeds. These fungi can synthesize a variety of secondary metabolites, many of which show animal toxicity, creating a health risk for food production animals and to humans as final consumers, respectively. Animal feeds used for rabbit, chinchilla and rainbow trout production in Argentina were analysed for the presence of xerophilic Aspergillus section Aspergillus species. High isolation frequencies (>60% were detected in all the studied rabbit and chinchilla feeds, while the rainbow trout feeds showed lower fungal charge (25%. These section Aspergillus contaminations comprised predominantly five taxa. Twenty isolates were subjected to taxonomic characterization using both ascospore SEM micromorphology and two independent DNA loci sequencing. The secondary metabolite profiles of the isolates were determined qualitatively by HPLC-MS. All the isolates produced neoechinulin A, 17 isolates were positive for cladosporin and echinulin, and 18 were positive for neoechinulin B. Physcion and preechinulin were detected in a minor proportion of the isolates. This is the first report describing the detailed species composition and the secondary metabolite profiles of Aspergillus section Aspergillus contaminating animal feeds.

  15. Patterns of Drugs and Drug Metabolites Observed in Meconium: What Do They Mean?

    Science.gov (United States)

    McMillin, Gwendolyn A; Wood, Kelly E; Strathmann, Frederick G; Krasowski, Matthew D

    2015-10-01

    Meconium drug testing is performed to detect potentially harmful drug exposures in a newborn. Interpretation of meconium drug testing results can be complicated based on the patterns and proportional concentrations of the drug(s) and/or drug metabolite(s) detected. The objective of this study was to analyze meconium drug testing patterns in a de-identified dataset from a national reference laboratory (n = 76,631) and in a subset of the data, wherein specimens originated at a single academic medical center for which detailed chart review was possible (n = 3635). Meconium testing was performed using 11 immunoassay-based drug screens. Specimens that were positive for one or more drug screens were reflexed to corresponding confirmation tests performed by gas chromatography or liquid chromatography with mass spectrometric detection, targeted to identify and quantitate specific parent drug(s) and metabolite(s). The positivity rate was the highest for the cannabis metabolite 11-nor-9-carboxy-delta-9-tetrahydrocannabinol (25.2%, n = 18,643), followed by opiates/oxycodone (23.2%, n = 17,778), amphetamine/methamphetamine (6.7%, n = 5134), cocaine metabolites (5.5%, n = 4205), methadone (5.3%, n = 4093), benzodiazepines (3.4%, n = 2603), barbiturates (1.1%, n = 834), propoxyphene (1.0%, n = 749), and phencyclidine (0.1%, n = 44). Based on documented pharmacy history, drugs administered to either the mother or newborn during the birth hospitalization were detected in meconium, providing evidence that drugs can be incorporated into meconium rapidly. Drugs administered directly to the newborn after birth were recovered in meconium as both parent drug and metabolites, providing evidence of neonatal metabolism. Overall, patterns observed in meconium exhibited many similarities to those patterns commonly reported with urine drug testing. Interpretation of meconium drug testing results requires comparison of results with clinical and analytical expectations, including maternal

  16. Battery charging control methods, electric vehicle charging methods, battery charging apparatuses and rechargeable battery systems

    Science.gov (United States)

    Tuffner, Francis K [Richland, WA; Kintner-Meyer, Michael C. W. [Richland, WA; Hammerstrom, Donald J [West Richland, WA; Pratt, Richard M [Richland, WA

    2012-05-22

    Battery charging control methods, electric vehicle charging methods, battery charging apparatuses and rechargeable battery systems. According to one aspect, a battery charging control method includes accessing information regarding a presence of at least one of a surplus and a deficiency of electrical energy upon an electrical power distribution system at a plurality of different moments in time, and using the information, controlling an adjustment of an amount of the electrical energy provided from the electrical power distribution system to a rechargeable battery to charge the rechargeable battery.

  17. Like-charged protein-polyelectrolyte complexation driven by charge patches

    Science.gov (United States)

    Yigit, Cemil; Heyda, Jan; Ballauff, Matthias; Dzubiella, Joachim

    2015-08-01

    We study the pair complexation of a single, highly charged polyelectrolyte (PE) chain (of 25 or 50 monomers) with like-charged patchy protein models (CPPMs) by means of implicit-solvent, explicit-salt Langevin dynamics computer simulations. Our previously introduced set of CPPMs embraces well-defined zero-, one-, and two-patched spherical globules each of the same net charge and (nanometer) size with mono- and multipole moments comparable to those of globular proteins with similar size. We observe large binding affinities between the CPPM and the like-charged PE in the tens of the thermal energy, kBT, that are favored by decreasing salt concentration and increasing charge of the patch(es). Our systematic analysis shows a clear correlation between the distance-resolved potentials of mean force, the number of ions released from the PE, and CPPM orientation effects. In particular, we find a novel two-site binding behavior for PEs in the case of two-patched CPPMs, where intermediate metastable complex structures are formed. In order to describe the salt-dependence of the binding affinity for mainly dipolar (one-patched) CPPMs, we introduce a combined counterion-release/Debye-Hückel model that quantitatively captures the essential physics of electrostatic complexation in our systems.

  18. Age related changes in metabolite concentrations in the normal spinal cord.

    Directory of Open Access Journals (Sweden)

    Khaled Abdel-Aziz

    Full Text Available Magnetic resonance spectroscopy (MRS studies have previously described metabolite changes associated with aging of the healthy brain and provided insights into normal brain aging that can assist us in differentiating age-related changes from those associated with neurological disease. The present study investigates whether age-related changes in metabolite concentrations occur in the healthy cervical spinal cord. 25 healthy volunteers, aged 23-65 years, underwent conventional imaging and single-voxel MRS of the upper cervical cord using an optimised point resolved spectroscopy sequence on a 3T Achieva system. Metabolite concentrations normalised to unsuppressed water were quantified using LCModel and associations between age and spinal cord metabolite concentrations were examined using multiple regressions. A linear decline in total N-Acetyl-aspartate concentration (0.049 mmol/L lower per additional year of age, p = 0.010 and Glutamate-Glutamine concentration (0.054 mmol/L lower per additional year of age, p = 0.002 was seen within our sample age range, starting in the early twenties. The findings suggest that neuroaxonal loss and/or metabolic neuronal dysfunction, and decline in glutamate-glutamine neurotransmitter pool progress with aging.

  19. Brain metabolite alterations in Eisenmenger syndrome: Evaluation with MR proton spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Dokumacı, Dilek Şen, E-mail: dileksendokumaci@yahoo.com [Harran University School of Medicine, Department of Radiology, Sanliurfa (Turkey); Doğan, Ferit [Children Hospital, Department of Radiology, Sanliurfa (Turkey); Yıldırım, Ali [Children Hospital, Department of Pediatric Cardiology, Sanliurfa (Turkey); Boyacı, Fatıma Nurefşan; Bozdoğan, Erol [Harran University School of Medicine, Department of Radiology, Sanliurfa (Turkey); Koca, Bülent [Harran University School of Medicine, Department of Pediatric Cardiology, Sanliurfa (Turkey)

    2017-01-15

    Objective: Eisenmenger syndrome (ES) is a life-threatening disease characterized by pulmonary hypertension and cyanosis in patients with congenital heart diseases. The aim of this study was to determine the brain metabolite changes in Eisenmenger syndrome compared with a control group using MR proton spectroscopy. Methods and Materials: The study included 10 children (3 male, 7 female) with congenital heart diseases and a diagnosis of Eisenmenger syndrome. The control group consisted of 10 healthy volunteer children. All were examined with a 1.5 T MRI scanner and single voxel spectroscopy was performed to obtain spectra from three different regions; left frontal subcortical white matter, left lentiform nucleus and left thalamus. Peak integral values obtained from the spectra were used as quantitative data. Results: The ages of the children with ES were between 5 and 16 years, and between 5 and 15 years in the control group. Periventricular white matter hyperintensities were observed in 3 patients. On MR spectroscopy study, significantly lower levels of Choline metabolite (Cho) were detected in the frontal subcortical region and thalamus regions of the patients compared with the control group. There was no statistically significant difference between the levels of other metabolites (NAA, Cr, mI and Glx). In the lentiform nucleus, although the average value of Cho in ES patients was lower than that of the control group, it was not statistically significant. Conclusion: Cho metabolite was determined to have an important role in brain metabolism in Eisenmenger syndrome patients. Oral Cho treatment may help to extend survival.

  20. Production of fungal and bacterial growth modulating secondary metabolites is widespread among mycorrhiza-associated streptomycetes

    Directory of Open Access Journals (Sweden)

    Schrey Silvia D

    2012-08-01

    Full Text Available Abstract Background Studies on mycorrhiza associated bacteria suggest that bacterial-fungal interactions play important roles during mycorrhiza formation and affect plant health. We surveyed Streptomyces Actinobacteria, known as antibiotic producers and antagonists of fungi, from Norway spruce mycorrhizas with predominantly Piloderma species as the fungal partner. Results Fifteen Streptomyces isolates exhibited substantial variation in inhibition of tested mycorrhizal and plant pathogenic fungi (Amanita muscaria, Fusarium oxysporum, Hebeloma cylindrosporum, Heterobasidion abietinum, Heterobasidion annosum, Laccaria bicolor, Piloderma croceum. The growth of the mycorrhiza-forming fungus Laccaria bicolor was stimulated by some of the streptomycetes, and Piloderma croceum was only moderately affected. Bacteria responded to the streptomycetes differently than the fungi. For instance the strain Streptomyces sp. AcM11, which inhibited most tested fungi, was less inhibitory to bacteria than other tested streptomycetes. The determined patterns of Streptomyces-microbe interactions were associated with distinct patterns of secondary metabolite production. Notably, potentially novel metabolites were produced by strains that were less antagonistic to fungi. Most of the identified metabolites were antibiotics (e.g. cycloheximide, actiphenol and siderophores (e.g. ferulic acid, desferroxiamines. Plant disease resistance was activated by a single streptomycete strain only. Conclusions Mycorrhiza associated streptomycetes appear to have an important role in inhibiting the growth of fungi and bacteria. Additionally, our study indicates that the Streptomyces strains, which are not general antagonists of fungi, may produce still un-described metabolites.

  1. Flagella-Driven Flows Circumvent Diffusive Bottlenecks that Inhibit Metabolite Exchange

    Science.gov (United States)

    Short, Martin; Solari, Cristian; Ganguly, Sujoy; Kessler, John; Goldstein, Raymond; Powers, Thomas

    2006-03-01

    The evolution of single cells to large and multicellular organisms requires matching the organisms' needs to the rate of exchange of metabolites with the environment. This logistic problem can be a severe constraint on development. For organisms with a body plan that approximates a spherical shell, such as colonies of the volvocine green algae, the required current of metabolites grows quadratically with colony radius whereas the rate at which diffusion can exchange metabolites grows only linearly with radius. Hence, there is a bottleneck radius beyond which the diffusive current cannot keep up with metabolic demands. Using Volvox carteri as a model organism, we examine experimentally and theoretically the role that advection of fluid by surface-mounted flagella plays in enhancing nutrient uptake. We show that fluid flow driven by the coordinated beating of flagella produces a convective boundary layer in the concentration of a diffusing solute which in turn renders the metabolite exchange rate quadratic in the colony radius. This enhanced transport circumvents the diffusive bottleneck, allowing increase in size and thus evolutionary transitions to multicellularity in the Volvocales.

  2. CoIN: co-inducible nitrate expression system for secondary metabolites in Aspergillus nidulans.

    Science.gov (United States)

    Wiemann, Philipp; Soukup, Alexandra A; Folz, Jacob S; Wang, Pin-Mei; Noack, Andreas; Keller, Nancy P

    2018-01-01

    Sequencing of fungal species has demonstrated the existence of thousands of putative secondary metabolite gene clusters, the majority of them harboring a unique set of genes thought to participate in production of distinct small molecules. Despite the ready identification of key enzymes and potential cluster genes by bioinformatics techniques in sequenced genomes, the expression and identification of fungal secondary metabolites in the native host is often hampered as the genes might not be expressed under laboratory conditions and the species might not be amenable to genetic manipulation. To overcome these restrictions, we developed an inducible expression system in the genetic model Aspergillus nidulans . We genetically engineered a strain of A. nidulans devoid of producing eight of the most abundant endogenous secondary metabolites to express the sterigmatocystin Zn(II) 2 Cys 6 transcription factor-encoding gene aflR and its cofactor aflS under control of the nitrate inducible niiA / niaD promoter. Furthermore, we identified a subset of promoters from the sterigmatocystin gene cluster that are under nitrate-inducible AflR/S control in our production strain in order to yield coordinated expression without the risks from reusing a single inducible promoter. As proof of concept, we used this system to produce β-carotene from the carotenoid gene cluster of Fusarium fujikuroi . Utilizing one-step yeast recombinational cloning, we developed an inducible expression system in the genetic model A. nidulans and show that it can be successfully used to produce commercially valuable metabolites.

  3. Brain metabolite alterations in Eisenmenger syndrome: Evaluation with MR proton spectroscopy

    International Nuclear Information System (INIS)

    Dokumacı, Dilek Şen; Doğan, Ferit; Yıldırım, Ali; Boyacı, Fatıma Nurefşan; Bozdoğan, Erol; Koca, Bülent

    2017-01-01

    Objective: Eisenmenger syndrome (ES) is a life-threatening disease characterized by pulmonary hypertension and cyanosis in patients with congenital heart diseases. The aim of this study was to determine the brain metabolite changes in Eisenmenger syndrome compared with a control group using MR proton spectroscopy. Methods and Materials: The study included 10 children (3 male, 7 female) with congenital heart diseases and a diagnosis of Eisenmenger syndrome. The control group consisted of 10 healthy volunteer children. All were examined with a 1.5 T MRI scanner and single voxel spectroscopy was performed to obtain spectra from three different regions; left frontal subcortical white matter, left lentiform nucleus and left thalamus. Peak integral values obtained from the spectra were used as quantitative data. Results: The ages of the children with ES were between 5 and 16 years, and between 5 and 15 years in the control group. Periventricular white matter hyperintensities were observed in 3 patients. On MR spectroscopy study, significantly lower levels of Choline metabolite (Cho) were detected in the frontal subcortical region and thalamus regions of the patients compared with the control group. There was no statistically significant difference between the levels of other metabolites (NAA, Cr, mI and Glx). In the lentiform nucleus, although the average value of Cho in ES patients was lower than that of the control group, it was not statistically significant. Conclusion: Cho metabolite was determined to have an important role in brain metabolism in Eisenmenger syndrome patients. Oral Cho treatment may help to extend survival.

  4. π--induced single charge exchange on polarized 3He

    International Nuclear Information System (INIS)

    Zhao, Q.; Burleson, S.; Blanchard, T.

    1995-01-01

    Asymmetries, A y , for the (π - ,π 0 ) reaction on polarized 3 He were measured using the pion beam of the P3W channel at LAMPF. The π 0 were detected with the new Neutral Meson Spectrometer (NMS) in coincidence with recoiling tritons. The recoil detector consisted of scintillation-counter telescopes and a wire chamber that provided energy-loss and direction information, respectively. The polarized gaseous 3 He target developed at TRIUMF was modified and run with the use of two diode lasers. Polarizations were typically 50%. The A y taken at T π = 200 MeV between 60 and 105 degrees were found to be strongly angle-dependent. The results will be compared with the theoretical predictions

  5. Laser spectroscopic investigation of singly and doubly charged thorium ions

    Energy Technology Data Exchange (ETDEWEB)

    Thielking, Johannes; Meier, David-Marcel; Glowacki, Przemyslaw; Okhapkin, Maksim V.; Peik, Ekkehard [Physikalisch-Technische Bundesanstalt, Braunschweig (Germany)

    2017-07-01

    The {sup 229}Th isotope possesses a unique, low-energy nuclear isomeric state at about 7.8(5) eV. This fact has stimulated the development of novel ideas in the borderland between atomic and nuclear physics, for example the use as an optical nuclear clock. Since the required precise information on the isomer energy is not yet available, it is intensely searched for using different experimental approaches. For the excitation of the nuclear isomer via electronic bridge or NEET processes, we plan to use two-photon laser excitation of high-lying electronic levels in Th{sup +}. We recently expanded our search range to higher energies and measured 38 previously unknown energy levels in the range from 7.8 eV to 8.7 eV. We also prepare to study the nuclear structure of the isomeric state in cooperation with the Maier-Leibnitz-Laboratorium at LMU Munich, using trapped recoil ions, where the isomeric state is populated via α-decay from {sup 233}U. For this purpose we investigate the hyperfine structure of suitable transitions of Th{sup 2+}.

  6. Model Predictive Control-Based Fast Charging for Vehicular Batteries

    Directory of Open Access Journals (Sweden)

    Zhibin Song

    2011-08-01

    Full Text Available Battery fast charging is one of the most significant and difficult techniques affecting the commercialization of electric vehicles (EVs. In this paper, we propose a fast charge framework based on model predictive control, with the aim of simultaneously reducing the charge duration, which represents the out-of-service time of vehicles, and the increase in temperature, which represents safety and energy efficiency during the charge process. The RC model is employed to predict the future State of Charge (SOC. A single mode lumped-parameter thermal model and a neural network trained by real experimental data are also applied to predict the future temperature in simulations and experiments respectively. A genetic algorithm is then applied to find the best charge sequence under a specified fitness function, which consists of two objectives: minimizing the charging duration and minimizing the increase in temperature. Both simulation and experiment demonstrate that the Pareto front of the proposed method dominates that of the most popular constant current constant voltage (CCCV charge method.

  7. Metrology and Transport of Multiply Charged Ions

    Science.gov (United States)

    Kulkarni, Dhruva

    The transport and interaction of singly- and multiply-charged ions with matter has been studied. The experiments were performed in an ultra-high vacuum environment. The low- and hyperthermal-energy ion beamline was used as a source of singly charged ions, while the CUEBIT facility was used as a source of multiply charged ions. The kinetic energy of the ion beam obtained from the CUEBIT is offset from the nominal value expected from the applied electrostatic potentials. These offsets were studied by measuring the kinetic energy of the beam using a retarding field analyzer (RFA). The offset was attributed to the space charge of the electron beam that is used to create the multiply charged ions. The charge density of the electron beam was varied by changing operational parameters of the electron beam, namely the electron beam current and the energy of the electron beam. Ion beams of Ar4+ and Ar8+ were extracted from the source and the offsets observed in the kinetic energy were related to the variation in the space charge potential of the electron beam. Measurements of these offsets, ranging from 100 eV/Q to 300 eV/Q, are significant and important for experiments that aim to utilize the potential energy of slow multiply charged ions. The transport of ions using capillaries has been studied to investigate the viability of ion-guiding as a means for a novel ion delivery mechanism. Results on transport through large bore capillaries (macrocapillaries) that probe both the geometric and ionguided mechanisms are presented. The angle- and position-dependent transport properties were found to depend on the material of the capillary (specifically, whether metal or insulator) and the geometry of the capillary. Rb+ ions at a kinetic energy of 1 keV were transmitted through metal and glass capillaries that were a few centimeters in length and a few millimeters in diameter. Oscillations were observed in the capillaries made of glass which were absent in the metal capillaries

  8. Oppositely charged colloids out of equilibrium

    Science.gov (United States)

    Vissers, T.

    2010-11-01

    potential and charge are studied by electrophoresis. Here, the velocity of the particles is measured while they are moving in an electric field. Using our real-space CLSM setup, we find that for a single-component system, the charge on the particles decreases with increasing volume fraction. Apart from structures that oppositely charged particles form close to thermodynamic equilibrium, we also study pattern formation when the system is driven out of equilibrium by an electric field. When oppositely charged particles are driven in opposite directions, the collisions between them cause particle of the same kind to form lanes. By combining our CLSM experiments with Brownian dynamics computer simulations, we study the structure and the dynamics of the suspension on the single-particle level. We find that the number of particles in a lane increases continuously with the field strength. By studying the dynamics and fluctuations parallel and perpendicular to the electric field direction, we identify the key mechanism of lane-formation. We show that pattern formation can easily become more complicated when we introduce alternating current (AC) fields. In addition to the formation of lanes parallel to the field-axis, bands of like-charged particles can form perpendicular to it. When the particles are sufficiently mobile, the system can be remixed again by changing the frequency. When AC-fields with higher field strengths are used, we show that complex patterns, including rotating instabilities, can emerge. The results in this thesis yield fundamental insight in electrophoresis, crystallization and pattern formation when systems are driven out of equilibrium. The results on lane- and band-formation can be relevant for the design of electronic ink (e-ink), where electrically driven oppositely charged particles are used to change the image on a piece of electronic paper.

  9. Enteric microbiome metabolites correlate with response to simvastatin treatment.

    Directory of Open Access Journals (Sweden)

    Rima Kaddurah-Daouk

    Full Text Available Although statins are widely prescribed medications, there remains considerable variability in therapeutic response. Genetics can explain only part of this variability. Metabolomics is a global biochemical approach that provides powerful tools for mapping pathways implicated in disease and in response to treatment. Metabolomics captures net interactions between genome, microbiome and the environment. In this study, we used a targeted GC-MS metabolomics platform to measure a panel of metabolites within cholesterol synthesis, dietary sterol absorption, and bile acid formation to determine metabolite signatures that may predict variation in statin LDL-C lowering efficacy. Measurements were performed in two subsets of the total study population in the Cholesterol and Pharmacogenetics (CAP study: Full Range of Response (FR, and Good and Poor Responders (GPR were 100 individuals randomly selected from across the entire range of LDL-C responses in CAP. GPR were 48 individuals, 24 each from the top and bottom 10% of the LDL-C response distribution matched for body mass index, race, and gender. We identified three secondary, bacterial-derived bile acids that contribute to predicting the magnitude of statin-induced LDL-C lowering in good responders. Bile acids and statins share transporters in the liver and intestine; we observed that increased plasma concentration of simvastatin positively correlates with higher levels of several secondary bile acids. Genetic analysis of these subjects identified associations between levels of seven bile acids and a single nucleotide polymorphism (SNP, rs4149056, in the gene encoding the organic anion transporter SLCO1B1. These findings, along with recently published results that the gut microbiome plays an important role in cardiovascular disease, indicate that interactions between genome, gut microbiome and environmental influences should be considered in the study and management of cardiovascular disease. Metabolic

  10. Modeling the formation and reactions of benzene metabolites.

    Science.gov (United States)

    Golding, Bernard T; Barnes, Martine L; Bleasdale, Christine; Henderson, Alistair P; Jiang, Dong; Li, Xin; Mutlu, Esra; Petty, Hannah J; Sadeghi, Majid M

    2010-03-19

    One or more of the muconaldehyde isomers is a putative product of benzene metabolism. As muconaldehydes are highly reactive dienals and potentially mutagenic they might be relevant to the carcinogenicity of benzene. Muconaldehydes may be derived through the action of a cytochrome P450 mono-oxygenase on benzene oxide-oxepin, which are established metabolites of benzene. Oxidation of benzene oxide-oxepin either by the one-electron oxidant cerium(IV) ammonium nitrate (CAN) or by iron(III) tris(1,10-phenanthroline) hexafluorophosphate in acetone at -78 degrees C or acetonitrile at -40 degrees C gave (E,Z)-muconaldehyde, which was a single diastereoisomer according to analysis by (1)H NMR spectroscopy. Reaction of toluene-1,2-oxide/2-methyloxepin with CAN gave (2E,4Z)-6-oxo-hepta-2,4-dienal. Similarly, the action of CAN on 1,6-dimethylbenzene oxide-2,7-dimethyloxepin gave (3Z,5E)-octa-3,5-diene-2,7-dione. In vivo, benzene oxide-oxepin could suffer one-electron oxidation by cytochrome P450 mono-oxygenase giving (E,Z)-muconaldehyde. The observations presented may be relevant to the toxicology of benzene oxide-oxepin and other arene oxide-oxepins as we have previously shown that (E,Z)-muconaldehyde, analogously to (Z,Z)-muconaldehyde, affords pyrrole adducts with the exocyclic amino groups of the DNA bases adenine and guanine. Independent of their possible toxicological significance, the experiments described provide preparatively useful routes to (E,Z)-muconaldehyde and its congeners. Methods are also described for the trapping and analysis of reactive benzene metabolites, e.g. using the Diels-Alder reaction with the dienophile 4-phenyl-1,2,4-triazoline-3,5-dione to trap arene oxides and with the diene 1,3-diphenylisobenzofuran to trap enals. Copyright (c) 2010 Elsevier Ireland Ltd. All rights reserved.

  11. Reward and Toxicity of Cocaine Metabolites Generated by Cocaine Hydrolase.

    Science.gov (United States)

    Murthy, Vishakantha; Geng, Liyi; Gao, Yang; Zhang, Bin; Miller, Jordan D; Reyes, Santiago; Brimijoin, Stephen

    2015-08-01

    Butyrylcholinesterase (BChE) gene therapy is emerging as a promising concept for treatment of cocaine addiction. BChE levels after gene transfer can rise 1000-fold above those in untreated mice, making this enzyme the second most abundant plasma protein. For months or years, gene transfer of a BChE mutated into a cocaine hydrolase (CocH) can maintain enzyme levels that destroy cocaine within seconds after appearance in the blood stream, allowing little to reach the brain. Rapid enzyme action causes a sharp rise in plasma levels of two cocaine metabolites, benzoic acid (BA) and ecgonine methyl ester (EME), a smooth muscle relaxant that is mildly hypotensive and, at best, only weakly rewarding. The present study, utilizing Balb/c mice, tested reward effects and cardiovascular effects of administering EME and BA together at molar levels equivalent to those generated by a given dose of cocaine. Reward was evaluated by conditioned place preference. In this paradigm, cocaine (20 mg/kg) induced a robust positive response but the equivalent combined dose of EME + BA failed to induce either place preference or aversion. Likewise, mice that had undergone gene transfer with mouse CocH (mCocH) showed no place preference or aversion after repeated treatments with a near-lethal 80 mg/kg cocaine dose. Furthermore, a single administration of that same high cocaine dose failed to affect blood pressure as measured using the noninvasive tail-cuff method. These observations confirm that the drug metabolites generated after CocH gene transfer therapy are safe even after a dose of cocaine that would ordinarily be lethal.

  12. Metabolite Profiling of Italian Tomato Landraces with Different Fruit Types

    Directory of Open Access Journals (Sweden)

    Svetlana eBaldina

    2016-05-01

    Full Text Available Increased interest towards traditional tomato varieties is fueled by the need to rescue desirable organoleptic traits and to improve the quality of fresh and processed tomatoes in the market. In addition, the phenotypic and genetic variation preserved in tomato landraces represents a means to understand the genetic basis of traits related to health and organoleptic aspects and improve them in modern varieties. To establish a framework for this approach, we studied the content of several metabolites in a panel of Italian tomato landraces categorized into three broad fruit type classes (flattened/ribbed, pear/oxheart, round/elongate. Three modern hybrids, corresponding to the three fruit shape typologies, were included as reference. Red ripe fruits were morphologically characterized and biochemically analyzed for their content in glycoalkaloids, phenols, amino acids and Amadori products. The round/elongate types showed a higher content in glycoalkaloids, whereas flattened types had higher levels of phenolic compounds. Flattened tomatoes were also rich in total amino acids and in particular in glutamic acid. Multivariate analysis of amino acid content clearly separated the three classes of fruit types. Making allowance of the very low number of genotypes, phenotype-marker relationships were analyzed after retrieving single nucleotide polymorphisms (SNPs among the landraces available in the literature. Sixty-six markers were significantly associated with the studied traits. The positions of several of these SNPs showed correspondence with already described genomic regions and QTLs supporting the reliability of the association. Overall the data indicated that significant changes in quality-related metabolites occur depending on the genetic background in traditional tomato germplasm, frequently according to specific fruit shape categories. Such a variability is suitable to harness association mapping for metabolic quality traits using this germplasm

  13. Charge Storage, Conductivity and Charge Profiles of Insulators as Related to Spacecraft Charging

    Science.gov (United States)

    Dennison, J. R.; Swaminathan, Prasanna; Frederickson, A. R.

    2004-01-01

    Dissipation of charges built up near the surface of insulators due to space environment interaction is central to understanding spacecraft charging. Conductivity of insulating materials is key to determine how accumulated charge will distribute across the spacecraft and how rapidly charge imbalance will dissipate. To understand these processes requires knowledge of how charge is deposited within the insulator, the mechanisms for charge trapping and charge transport within the insulator, and how the profile of trapped charge affects the transport and emission of charges from insulators. One must consider generation of mobile electrons and holes, their trapping, thermal de-trapping, mobility and recombination. Conductivity is more appropriately measured for spacecraft charging applications as the "decay" of charge deposited on the surface of an insulator, rather than by flow of current across two electrodes around the sample. We have found that conductivity determined from charge storage decay methods is 102 to 104 smaller than values obtained from classical ASTM and IEC methods for a variety of thin film insulating samples. For typical spacecraft charging conditions, classical conductivity predicts decay times on the order of minutes to hours (less than typical orbit periods); however, the higher charge storage conductivities predict decay times on the order of weeks to months leading to accumulation of charge with subsequent orbits. We found experimental evidence that penetration profiles of radiation and light are exceedingly important, and that internal electric fields due to charge profiles and high-field conduction by trapped electrons must be considered for space applications. We have also studied whether the decay constants depend on incident voltage and flux or on internal charge distributions and electric fields; light-activated discharge of surface charge to distinguish among differing charge trapping centers; and radiation-induced conductivity. Our

  14. Surface charge compensation for a highly charged ion emission microscope

    International Nuclear Information System (INIS)

    McDonald, J.W.; Hamza, A.V.; Newman, M.W.; Holder, J.P.; Schneider, D.H.G.; Schenkel, T.

    2003-01-01

    A surface charge compensation electron flood gun has been added to the Lawrence Livermore National Laboratory (LLNL) highly charged ion (HCI) emission microscope. HCI surface interaction results in a significant charge residue being left on the surface of insulators and semiconductors. This residual charge causes undesirable aberrations in the microscope images and a reduction of the Time-Of-Flight (TOF) mass resolution when studying the surfaces of insulators and semiconductors. The benefits and problems associated with HCI microscopy and recent results of the electron flood gun enhanced HCI microscope are discussed

  15. Understanding the Linkage between Charging Network Coverage and Charging Opportunity

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Changzheng [ORNL; Lin, Zhenhong [ORNL; Kontou, Eleftheria [University of Florida, Gainesville; Wu, Xing [Lamar University

    2016-01-01

    Using GPS-based travel survey data, this paper estimates the relationship between public charging network coverage and charging opportunity, defined as the probability of being able to access public charging for a driver at one of his/her stops or at one travel day. Understanding this relationship is of important interests to the electric vehicle industry and government in determining appropriate charging infrastructure deployment level and estimating the impact of public charging on market adoption of electric vehicles. The analysis finds that drivers trip destinations concentrate on a few popular places. If top 1% of most popular places are installed with public chargers, on average, drivers will be able to access public charging at 20% of all their stops and 1/3 of their travel days; If 20% of most popular places are installed with public chargers, drivers will be able to access public charging at 89% of all their stops and 94% of their travel days. These findings are encouraging, implying charging network can be efficiently designed by concentrating at a few popular places while still providing a high level of charging opportunity.

  16. Rapid construction of metabolite biosensors using domain-insertion profiling

    Science.gov (United States)

    Nadler, Dana C.; Morgan, Stacy-Anne; Flamholz, Avi; Kortright, Kaitlyn E.; Savage, David F.

    2016-01-01

    Single-fluorescent protein biosensors (SFPBs) are an important class of probes that enable the single-cell quantification of analytes in vivo. Despite advantages over other detection technologies, their use has been limited by the inherent challenges of their construction. Specifically, the rational design of green fluorescent protein (GFP) insertion into a ligand-binding domain, generating the requisite allosteric coupling, remains a rate-limiting step. Here, we describe an unbiased approach, termed domain-insertion profiling with DNA sequencing (DIP-seq), that combines the rapid creation of diverse libraries of potential SFPBs and high-throughput activity assays to identify functional biosensors. As a proof of concept, we construct an SFPB for the important regulatory sugar trehalose. DIP-seq analysis of a trehalose-binding-protein reveals allosteric hotspots for GFP insertion and results in high-dynamic range biosensors that function robustly in vivo. Taken together, DIP-seq simultaneously accelerates metabolite biosensor construction and provides a novel tool for interrogating protein allostery. PMID:27470466

  17. A Single-Pulse Integrator

    DEFF Research Database (Denmark)

    Miller, Arne

    1974-01-01

    A single-pulse integrator is described. It gives a relative measure of the integral of the output signal from a coil monitor on the Risø 10 MeV linear accelerator, and displays the value on a digital voltmeter. The reproduccibility is found to be better than ±1% for an accelerated pulse charge...

  18. Trophic transfer of pyrene metabolites between aquatic invertebrates

    International Nuclear Information System (INIS)

    Carrasco Navarro, V.; Leppänen, M.T.; Kukkonen, J.V.K.; Godoy Olmos, S.

    2013-01-01

    The trophic transfer of pyrene metabolites was studied using Gammarus setosus as a predator and the invertebrates Lumbriculus variegatus and Chironomus riparius as prey. The results obtained by liquid scintillation counting confirmed that the pyrene metabolites produced by the aquatic invertebrates L. variegatus and C. riparius were transferred to G. setosus through the diet. More detailed analyses by liquid chromatography discovered that two of the metabolites produced by C. riparius appeared in the chromatograms of G. setosus tissue extracts, proving their trophic transfer. These metabolites were not present in chromatograms of G. setosus exclusively exposed to pyrene. The present study supports the trophic transfer of PAH metabolites between benthic macroinvertebrates and common species of an arctic amphipod. As some PAH metabolites are more toxic than the parent compounds, the present study raises concerns about the consequences of their trophic transfer and the fate and effects of PAHs in natural environments. - Highlights: ► The trophic transfer of pyrene metabolites between invertebrates was evaluated. ► Biotransformation of pyrene by L. variegatus and C. riparius is different. ► Metabolites produced by L. variegatus and C. riparius are transferred to G. setosus. ► Specifically, two metabolites produced by C. riparius were transferred. - Some of the pyrene metabolites produced by the model invertebrates L. variegatus and C. riparius are transferred to G. setosus through the diet, proving their trophic transfer.

  19. Metabolite damage and repair in metabolic engineering design

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Jiayi; Jeffryes, James G.; Henry, Christopher S.; Bruner, Steven D.; Hanson, Andrew D.

    2017-11-01

    The necessarily sharp focus of metabolic engineering and metabolic synthetic biology on pathways and their fluxes has tended to divert attention from the damaging enzymatic and chemical side-reactions that pathway metabolites can undergo. Although historically overlooked and underappreciated, such metabolite damage reactions are now known to occur throughout metabolism and to generate (formerly enigmatic) peaks detected in metabolomics datasets. It is also now known that metabolite damage is often countered by dedicated repair enzymes that undo or prevent it. Metabolite damage and repair are highly relevant to engineered pathway design: metabolite damage reactions can reduce flux rates and product yields, and repair enzymes can provide robust, host-independent solutions. Herein, after introducing the core principles of metabolite damage and repair, we use case histories to document how damage and repair processes affect efficient operation of engineered pathways - particularly those that are heterologous, non-natural, or cell-free. We then review how metabolite damage reactions can be predicted, how repair reactions can be prospected, and how metabolite damage and repair can be built into genome-scale metabolic models. Lastly, we propose a versatile 'plug and play' set of well-characterized metabolite repair enzymes to solve metabolite damage problems known or likely to occur in metabolic engineering and synthetic biology projects.

  20. Sequential charged particle reaction

    International Nuclear Information System (INIS)

    Hori, Jun-ichi; Ochiai, Kentaro; Sato, Satoshi; Yamauchi, Michinori; Nishitani, Takeo

    2004-01-01

    The effective cross sections for producing the sequential reaction products in F82H, pure vanadium and LiF with respect to the 14.9-MeV neutron were obtained and compared with the estimation ones. Since the sequential reactions depend on the secondary charged particles behavior, the effective cross sections are corresponding to the target nuclei and the material composition. The effective cross sections were also estimated by using the EAF-libraries and compared with the experimental ones. There were large discrepancies between estimated and experimental values. Additionally, we showed the contribution of the sequential reaction on the induced activity and dose rate in the boundary region with water. From the present study, it has been clarified that the sequential reactions are of great importance to evaluate the dose rates around the surface of cooling pipe and the activated corrosion products. (author)

  1. "How much will I get charged for this?" Patient charges for top ten diagnoses in the emergency department.

    Directory of Open Access Journals (Sweden)

    Nolan Caldwell

    Full Text Available We examined the charges, their variability, and respective payer group for diagnosis and treatment of the ten most common outpatient conditions presenting to the Emergency department (ED.We conducted a cross-sectional study of the 2006-2008 Medical Expenditure Panel Survey. Analysis was limited to outpatient visits with non-elderly, adult (years 18-64 patients with a single discharge diagnosis.We studied 8,303 ED encounters, representing 76.6 million visits. Median charges ranged from $740 (95% CI $651-$817 for an upper respiratory infection to $3437 (95% CI $2917-$3877 for a kidney stone. The median charge for all ten outpatient conditions in the ED was $1233 (95% CI $1199- $1268, with a high degree of charge variability. All diagnoses had an interquartile range (IQR greater than $800 with 60% of IQRs greater than $1550.Emergency department charges for common conditions are expensive with high charge variability. Greater acute care charge transparency will at least allow patients and providers to be aware of the emergency department charges patients may face in the current health care system.

  2. 46 CFR 401.430 - Prohibited charges.

    Science.gov (United States)

    2010-10-01

    ... 46 Shipping 8 2010-10-01 2010-10-01 false Prohibited charges. 401.430 Section 401.430 Shipping... Rates, Charges, and Conditions for Pilotage Services § 401.430 Prohibited charges. No rate or charge... the rates and charges set forth in this part, nor shall any rates or charges be made for services...

  3. 12 CFR 226.4 - Finance charge.

    Science.gov (United States)

    2010-01-01

    ... 12 Banks and Banking 3 2010-01-01 2010-01-01 false Finance charge. 226.4 Section 226.4 Banks and... LENDING (REGULATION Z) General § 226.4 Finance charge. (a) Definition. The finance charge is the cost of...) Charges by third parties. The finance charge includes fees and amounts charged by someone other than the...

  4. Dual Fragment Impact of PBX Charges

    Science.gov (United States)

    Haskins, Peter; Briggs, Richard; Leeming, David; White, Nathan; Cheese, Philip; DE&S MoD UK Team; Ordnance Test Solutions Ltd Team

    2017-06-01

    Fragment impact can pose a significant hazard to many systems containing explosives or propellants. Testing for this threat is most commonly carried out using a single fragment. However, it can be argued that an initial fragment strike (or strikes) could sensitise the energetic material to subsequent impacts, which may then lead to a more violent reaction than would have been predicted based upon single fragment studies. To explore this potential hazard we have developed the capability to launch 2 fragments from the same gun at a range of velocities, and achieve impacts on an acceptor charge with good control over the spatial and temporal separation of the strikes. In this paper we will describe in detail the experimental techniques we have used, both to achieve the dual fragment launch and observe the acceptor charge response. In addition, we will describe the results obtained against PBX filled explosive targets; discuss the mechanisms controlling the target response and their significance for vulnerability assessment. Results of these tests have clearly indicated the potential for detonation upon the second strike, at velocities well below those needed for shock initiation by a single fragment.

  5. Spacelike charges, null-plane charges, and mass splitting

    International Nuclear Information System (INIS)

    Gal-Ezer, E.; Horwitz, L.P.

    1976-01-01

    The properties of charges defined as integrals over tensor densities and their possible use in the treatment of broken symmetries are studied. It is well known that spacelike integrals over nonconserved densities cannot yield charge operators at a fixed sharp time. However, charge operators which are smeared in time with suitable ''adiabatic'' functions, when there is a mass gap, are well defined; these charges can give rise to a finite algebraic structure only in the infinite-momentum limit, corresponding to an algebra of null-plane charges. For the study of null-plane charges, tensor densities are divided into four classes (very good, good, bad, very bad) according to their transformation properties under the Lorentz group. We argue that in the absence of massless particles members of the first two classes are expected to yield well-defined null-plane charges, while members of the last two classes are not expected to define null-plane charges. The existence of null-plane charges for good densities depends on whether the Pomeron intercept α/sub P/(0) is less than 1 or equal to 1. Null-plane Fourier transforms (which appear in the discussion of current algebra at infinite momentum) are also considered. Null-plane charges may satisfy algebraic relations which involve the Poincare algebra. Owing to domain properties, only semialgebraic relations, which are a generalization of the usual Lie algebraic relations, can be postulated on particle states. By use of these relations, a no-go theorem of the O'Raifeartaigh type, which applies to the null-plane charges, is formulated and proved

  6. Scalable Electric Vehicle Charging Protocols

    OpenAIRE

    Zhang, Liang; Kekatos, Vassilis; Giannakis, Georgios B.

    2015-01-01

    Although electric vehicles are considered a viable solution to reduce greenhouse gas emissions, their uncoordinated charging could have adverse effects on power system operation. Nevertheless, the task of optimal electric vehicle charging scales unfavorably with the fleet size and the number of control periods, especially when distribution grid limitations are enforced. To this end, vehicle charging is first tackled using the recently revived Frank-Wolfe method. The novel decentralized chargi...

  7. Scientific charge-coupled devices

    Science.gov (United States)

    Janesick, James R.; Elliott, Tom; Collins, Stewart; Blouke, Morley M.; Freeman, Jack

    1987-01-01

    The charge-coupled device dominates an ever-increasing variety of scientific imaging and spectroscopy applications. Recent experience indicates, however, that the full potential of CCD performance lies well beyond that realized in devices currently available.Test data suggest that major improvements are feasible in spectral response, charge collection, charge transfer, and readout noise. These properties, their measurement in existing CCDs, and their potential for future improvement are discussed in this paper.

  8. Endogenous cross-talk of fungal metabolites.

    Directory of Open Access Journals (Sweden)

    Kevin J Sheridan

    2015-01-01

    Full Text Available Non-ribosomal peptide synthesis in fungi requires a ready supply of proteogenic and non-proteogenic amino acids which are subsequently incorporated into the nascent non-ribosomal peptide via a thiotemplate mechanism catalysed by non-ribosomal peptide synthetases. Substrate amino acids can be modified prior to or during incorporation into the non-ribosomal peptide, or following incorporation into an early stage amino acid-containing biosynthetic intermediate. These post-incorporation modifications involve a range of additional enzymatic activities including but not exclusively, monooxygenases, methyltransferases, epimerases, oxidoreductases and glutathione transferases which are essential to effect biosynthesis of the final non-ribosomal peptide. Likewise, polyketide biosynthesis is directly by polyketide synthase megaenzymes and cluster-encoded ancilliary decorating enzymes. Additionally, a suite of additional primary metabolites, for example: CoA, acetyl CoA, S-adenosylmethionine, glutathione, NADPH, malonyl CoA and molecular oxygen, amongst others are required for non-ribosomal peptide and polyketide synthesis. Clearly these processes must involve exquisite orchestration to facilitate the simultaneous biosynthesis of different types of non-ribosomal peptides, polyketides, and related metabolites requiring identical or similar biosynthetic precursors or co-factors. Moreover, the near identical structures of many natural products within a given family (e.g., ergot alkaloids, along with localization to similar regions within fungi (e.g., conidia suggests that cross-talk may exist, in terms of biosynthesis and functionality. Finally, we speculate if certain biosynthetic steps involved in non-ribosomal peptide and polyketide synthesis play a role in cellular protection or environmental adaptation, and wonder if these enzymatic reactions are of equivalent importance to the actual biosynthesis of the final metabolite.

  9. Cytotoxicity of lapachol metabolites produced by probiotics.

    Science.gov (United States)

    Oliveira Silva, E; Cruz de Carvalho, T; Parshikov, I A; Alves dos Santos, R; Silva Emery, F; Jacometti Cardoso Furtado, N A

    2014-07-01

    Probiotics are currently added to a variety of functional foods to provide health benefits to the host and are commonly used by patients with gastrointestinal complaints or diseases. The therapeutic effects of lapachol continue to inspire studies to obtain derivatives with improved bioactivity and lower unwanted effects. Therefore, the general goal of this study was to show that probiotics are able to convert lapachol and are important to assess the effects of bacterial metabolism on drug performance and toxicity. The microbial transformations of lapachol were carried out by Bifidobacterium sp. and Lactobacillus acidophilus and different metabolites were produced in mixed and isolated cultures. The cytotoxic activities against breast cancer and normal fibroblast cell lines of the isolated metabolites (4α-hydroxy-2,2-dimethyl-5-oxo-2,3,4,4α,5,9β-hexahydroindeno[1,2-β]pyran-9β-carboxilic acid, a new metabolite produced by mixed culture and dehydro-α-lapachone produced by isolated cultures) were assessed and compared with those of lapachol. The new metabolite displayed a lower activity against a breast cancer cell line (IC50 = 532.7 μmol l(-1) ) than lapachol (IC50 = 72.3 μmol l(-1) ), while dehydro-α-lapachone (IC50 = 10.4 μmol l(-1) ) displayed a higher activity than lapachol. The present study is the first to demonstrate that probiotics are capable of converting lapachol into the most effective cytotoxic compound against a breast cancer cell line. Probiotics have been used in dairy products to promote human health and have the ability to metabolize drugs and other xenobiotics. Naphthoquinones, such as lapachol, are considered privileged scaffolds due to their high propensity to interact with biological targets. The present study is the first to demonstrate that probiotics are capable of converting lapachol into the most effective cytotoxic compound against a breast cancer cell line. The developed approach highlights the importance of probiotics to assess

  10. Fractional Charge Definitions and Conditions

    Energy Technology Data Exchange (ETDEWEB)

    Goldhaber, A.S.

    2004-06-04

    Fractional charge is known through theoretical and experimental discoveries of isolable objects carrying fractions of familiar charge units--electric charge Q, spin S, and the difference of baryon and lepton numbers B-L. With a few simple assumptions all these effects may be described using a generalized version of charge renormalization for locally conserved charges, in which medium correlations yield familiar adiabatic, continuous renormalization, or sometimes nonadiabatic, discrete renormalization. Fractional charges may be carried by fundamental particles or fundamental solitons. Either picture works for the simplest fractional-quantum-Hall-effect quasiholes, though the particle description is far more general. The only known fundamental solitons in three or fewer space dimensions d are the kink (d = 1), the vortex (d = 2), and the magnetic monopole (d = 3). Further, for a charge not intrinsically coupled to the topological charge of a soliton, only the kink and the monopole may carry fractional values. The same reasoning enforces fractional values of B-L for electrically charged elementary particles.

  11. Low-charge-state linac

    Energy Technology Data Exchange (ETDEWEB)

    Shepard, K.W.; Kim, J.W.

    1995-08-01

    A design is being developed for a low-charge-state linac suitable for injecting ATLAS with a low-charge-state, radioactive beam. Initial work indicates that the existing ATLAS interdigital superconducting accelerating structures, together with the superconducting quadrupole transverse focussing element discussed above, provides a basis for a high-performance low-charge-state linac. The initial 2 or 3 MV of such a linac could be based on a normally-conducting, low-frequency RFQ, possibly combined with 24-MHz superconducting interdigital structures. Beam dynamics studies of the whole low-charge-state post-accelerator section were carried out in early FY 1995.

  12. Search for free fractional electric charge elementary particles using an automated millikan oil drop technique

    Science.gov (United States)

    Halyo; Kim; Lee; Lee; Loomba; Perl

    2000-03-20

    We have carried out a direct search in bulk matter for free fractional electric charge elementary particles using the largest mass single sample ever studied-about 17.4 mg of silicone oil. The search used an improved and highly automated Millikan oil drop technique. No evidence for fractional charge particles was found. The concentration of particles with fractional charge more than 0. 16e ( e being the magnitude of the electron charge) from the nearest integer charge is less than 4.71x10(-22) particles per nucleon with 95% confidence.

  13. Optimal voxel size for measuring global gray and white matter proton metabolite concentrations using chemical shift imaging

    DEFF Research Database (Denmark)

    Hanson, Lars Peter Grüner; Adalsteinsson, E; Pfefferbaum, A

    2000-01-01

    compared to single voxel methods. In the present study, the optimal voxel size is calculated from segmented human brain data and accompanying field maps. The optimal voxel size is found to be approximately 8 cc, but a wide range of values, 4-64 cc, can be chosen with little increase in estimated......Quantification of gray and white matter levels of spectroscopically visible metabolites can provide important insights into brain development and pathological conditions. Chemical shift imaging offers a gain in efficiency for estimation of global gray and white matter metabolite concentrations...

  14. Bounds on charged lepton mixing with exotic charged leptons Ф

    Indian Academy of Sciences (India)

    bounds on mixings in charged lepton sector. The threshold of the process. /. × = 2С is high, and masses of light .... between the two sectors (i.e., ordinary weak states ( 0-. OL(R)) to the heavy mass eigenstates (. hL(R)) and exotic ... Ш3 and Й denote third isospin compo- nent and electrical charge of the corresponding fields.

  15. Charge migration and charge transfer in molecular systems

    Directory of Open Access Journals (Sweden)

    Hans Jakob Wörner

    2017-11-01

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

  16. Charge Pricing Optimization Model for Private Charging Piles in Beijing

    Directory of Open Access Journals (Sweden)

    Xingping Zhang

    2017-11-01

    Full Text Available This paper develops a charge pricing model for private charging piles (PCPs by considering the environmental and economic effects of private electric vehicle (PEV charging energy sources and the impact of PCP charging load on the total load. This model simulates users’ responses to different combinations of peak-valley prices based on the charging power of PCPs and user charging transfer rate. According to the regional power structure, it calculates the real-time coal consumption, carbon dioxide emissions reduction, and power generation costs of PEVs on the power generation side. The empirical results demonstrate that the proposed peak-valley time-of-use charging price can not only minimize the peak-valley difference of the total load but also improve the environmental effects of PEVs and the economic income of the power system. The sensitivity analysis shows that the load-shifting effect of PCPs will be more obvious when magnifying the number of PEVs by using the proposed charging price. The case study indicates that the proposed peak, average, and valley price in Beijing should be 1.8, 1, and 0.4 yuan/kWh, which can promote the large-scale adoption of PEVs.

  17. [Identification of saponins from Panax notoginseng in metabolites of rats].

    Science.gov (United States)

    Shen, Wen-Wen; Zhang, Yin; Qiu, Shou-Bei; Zhu, Fen-Xia; Jia, Xiao-Bin; Tang, Dao-Quan; Chen, Bin

    2017-10-01

    UPLC-QTOF-MS/MS was used to identify metabolites in rat blood, urine and feces after the administration of n-butanol extract derived from steamed notoginseng. The metabolic process of saponins came from steamed notoginseng was analyzed. The metabolites were processed by PeakView software, and identified according to the structural characteristics of prototype compounds and the accurate qualitative and quantitative changes of common metabolic pathways. Four saponins metabolites were identified based on MS/MS information of metabolites, namely ginsenoside Rh₄, Rk₃, Rk₁, Rg₅,and their 15 metabolites were verified. The metabolic pathways of the four ginsenosides in n-butanol extract included glucuronidation, desugar, sulfation, dehydromethylation, and branch loss. The metabolites of main active saponin components derived from steamed Panax notoginseng were analyzed from the perspective of qualitative analysis. And the material basis for the efficacy of steamed notoginseng was further clarified. Copyright© by the Chinese Pharmaceutical Association.

  18. Charge exchange processes involving iron ions

    International Nuclear Information System (INIS)

    Phaneuf, R.A.

    1985-01-01

    A review and evaluation is given of the experimental data which are available for charge exchange processes involving iron ions and neutral H, H 2 and He. Appropriate scaling laws are presented, and their accuracy estimated for these systems. A bibliography is given of available data sources, as well as of useful data compilations and review articles. A procedure is recommended for providing single approximate formulae to the fusion community to describe total cross sections for electron capture by partially-stripped Fe/sup q+/ ions in collisions with H, H 2 and He, based on the scaling relationships suggested by Janev and Hvelplund

  19. Simulation of capacitor charging power supplies

    Science.gov (United States)

    Newton, S. R.; Nelms, R. M.

    1990-01-01

    By neglecting losses and other nonidealities, the authors were able to derive a simple single-loop equivalent circuit for each mode of operation of the series resonant converter. From these equivalent circuits, a good approximation of the current and voltages within the converter was obtained, despite the simplified approach taken. It is pointed out that designers of capacitor charging power supplies can utilize this approach in deciding what type of control strategy is needed to obtain a desired characteristic. Once the basic topology of the power supply has been determined, a detailed simulation could be implemented using one of the general-purpose software packages available.

  20. Bmad: A relativistic charged particle simulation library

    International Nuclear Information System (INIS)

    Sagan, D.

    2006-01-01

    Bmad is a subroutine library for simulating relativistic charged particle beams in high-energy accelerators and storage rings. Bmad can be used to study both single and multi-particle beam dynamics using routines to track both particles and macroparticles. Bmad has various tracking algorithms including Runge-Kutta and symplectic (Lie algebraic) integration. Various effects such as wakefields, and radiation excitation and damping can be simulated. Bmad has been developed in a modular, object-oriented fashion to maximize flexibility. Interface routines allow Bmad to be called from C/C++ as well as Fortran programs. Bmad is well documented. Every routine is individually annotated, and there is an extensive manual