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Sample records for molecules formation trapping

  1. Formation and dynamics of van der Waals molecules in buffer-gas traps

    CERN Document Server

    Brahms, Nathan; Zhang, Peng; Kłos, Jacek; Forrey, Robert C; Au, Yat Shan; Sadeghpour, H R; Dalgarno, A; Doyle, John M; Walker, Thad G

    2011-01-01

    We show that weakly bound He-containing van der Waals molecules can be produced and magnetically trapped in buffer-gas cooling experiments, and provide a general model for the formation and dynamics of these molecules. Our analysis shows that, at typical experimental parameters, thermodynamics favors the formation of van der Waals complexes composed of a helium atom bound to most open-shell atoms and molecules, and that complex formation occurs quickly enough to ensure chemical equilibrium. For molecular pairs composed of a He atom and an S-state atom, the molecular spin is stable during formation, dissociation, and collisions, and thus these molecules can be magnetically trapped. Collisional spin relaxations are too slow to affect trap lifetimes. However, helium-3-containing complexes can change spin due to adiabatic crossings between trapped and untrapped Zeeman states, mediated by the anisotropic hyperfine interaction, causing trap loss. We provide a detailed model for Ag3He molecules, using ab initio calc...

  2. Formation and dynamics of van der Waals molecules in buffer-gas traps.

    Science.gov (United States)

    Brahms, Nathan; Tscherbul, Timur V; Zhang, Peng; Kłos, Jacek; Forrey, Robert C; Au, Yat Shan; Sadeghpour, H R; Dalgarno, A; Doyle, John M; Walker, Thad G

    2011-11-14

    We show that weakly bound He-containing van der Waals molecules can be produced and magnetically trapped in buffer-gas cooling experiments, and provide a general model for the formation and dynamics of these molecules. Our analysis shows that, at typical experimental parameters, thermodynamics favors the formation of van der Waals complexes composed of a helium atom bound to most open-shell atoms and molecules, and that complex formation occurs quickly enough to ensure chemical equilibrium. For molecular pairs composed of a He atom and an S-state atom, the molecular spin is stable during formation, dissociation, and collisions, and thus these molecules can be magnetically trapped. Collisional spin relaxation is too slow to affect trap lifetimes. However, (3)He-containing complexes can change spin due to adiabatic crossings between trapped and untrapped Zeeman states, mediated by the anisotropic hyperfine interaction, causing trap loss. We provide a detailed model for Ag(3)He molecules, using ab initio calculation of Ag-He interaction potentials and spin interactions, quantum scattering theory, and direct Monte Carlo simulations to describe formation and spin relaxation in this system. The calculated rate of spin-change agrees quantitatively with experimental observations, providing indirect evidence for molecular formation in buffer-gas-cooled magnetic traps. Finally, we discuss the possibilities for spectroscopic detection of these complexes, including a calculation of expected spectra for Ag(3)He, and report on our spectroscopic search for Ag(3)He, which produced a null result.

  3. Formation of van der Waals molecules in buffer gas cooled magnetic traps

    CERN Document Server

    Brahms, N; Zhang, P; los, J K; Sadeghpour, H R; Dalgarno, A; Doyle, J M; Walker, T G

    2010-01-01

    We show that a large class of helium-containing cold polar molecules form readily in a cryogenic buffer gas, achieving densities as high as 10^12 cm^-3. We explore the spin relaxation of these molecules in buffer gas loaded magnetic traps, and identify a loss mechanism based on Landau-Zener transitions arising from the anisotropic hyperfine interaction. Our results show that the recently observed strong T^6 thermal dependence of spin change in buffer gas trapped silver (Ag) is accounted for by the formation and spin change of AgHe, thus providing evidence for molecular formation in a buffer gas trap.

  4. Formation of van der Waals molecules in buffer-gas-cooled magnetic traps [corrected].

    Science.gov (United States)

    Brahms, N; Tscherbul, T V; Zhang, P; Kłos, J; Sadeghpour, H R; Dalgarno, A; Doyle, J M; Walker, T G

    2010-07-16

    We predict that a large class of helium-containing cold polar molecules form readily in a cryogenic buffer gas, achieving densities as high as 10(12)  cm(-3). We explore the spin relaxation of these molecules in buffer-gas-loaded magnetic traps and identify a loss mechanism based on Landau-Zener transitions arising from the anisotropic hyperfine interaction. Our results show that the recently observed strong T(-6) thermal dependence of the spin-change rate of silver (Ag) trapped in dense (3)He is accounted for by the formation and spin change of Ag(3)He van der Waals molecules, thus providing indirect evidence for molecular formation in a buffer-gas trap.

  5. Trapping molecules on chips

    CERN Document Server

    Santambrogio, Gabriele

    2015-01-01

    In the last years, it was demonstrated that neutral molecules can be loaded on a microchip directly from a supersonic beam. The molecules are confined in microscopic traps that can be moved smoothly over the surface of the chip. Once the molecules are trapped, they can be decelerated to a standstill, for instance, or pumped into selected quantum states by laser light or microwaves. Molecules are detected on the chip by time-resolved spatial imaging, which allows for the study of the distribution in the phase space of the molecular ensemble.

  6. Magneto-optical trap for polar molecules.

    Science.gov (United States)

    Stuhl, Benjamin K; Sawyer, Brian C; Wang, Dajun; Ye, Jun

    2008-12-12

    We propose a method for laser cooling and trapping a substantial class of polar molecules and, in particular, titanium (II) oxide (TiO). This method uses pulsed electric fields to nonadiabatically remix the ground-state magnetic sublevels of the molecule, allowing one to build a magneto-optical trap based on a quasicycling J' = J'' -1 transition. Monte Carlo simulations of this electrostatically remixed magneto-optical trap demonstrate the feasibility of cooling TiO to a temperature of 10 micrpK and trapping it with a radiation-pumping-limited lifetime on the order of 80 ms.

  7. Decelerating and Trapping Large Polar Molecules.

    Science.gov (United States)

    Patterson, David

    2016-11-18

    Manipulating the motion of large polyatomic molecules, such as benzonitrile (C6 H5 CN), presents significant difficulties compared to the manipulation of diatomic molecules. Although recent impressive results have demonstrated manipulation, trapping, and cooling of molecules as large as CH3 F, no general technique for trapping such molecules has been demonstrated, and cold neutral molecules larger than 5 atoms have not been trapped (M. Zeppenfeld, B. G. U. Englert, R. Glöckner, A. Prehn, M. Mielenz, C. Sommer, L. D. van Buuren, M. Motsch, G. Rempe, Nature 2012, 491, 570-573). In particular, extending Stark deceleration and electrostatic trapping to such species remains challenging. Here, we propose to combine a novel "asymmetric doublet state" Stark decelerator with recently demonstrated slow, cold, buffer-gas-cooled beams of closed-shell volatile molecules to realize a general system for decelerating and trapping samples of a broad range of volatile neutral polar prolate asymmetric top molecules. The technique is applicable to most stable volatile molecules in the 100-500 AMU range, and would be capable of producing trapped samples in a single rotational state and at a motional temperature of hundreds of mK. Such samples would immediately allow for spectroscopy of unprecedented resolution, and extensions would allow for further cooling and direct observation of slow intramolecular processes such as vibrational relaxation and Hertz-level tunneling dynamics.

  8. Trapping and manipulating single molecules of DNA

    Science.gov (United States)

    Shon, Min Ju

    This thesis presents the development and application of nanoscale techniques to trap and manipulate biomolecules, with a focus on DNA. These methods combine single-molecule microscopy and nano- and micro-fabrication to study biophysical properties of DNA and proteins. The Dimple Machine is a lab-on-a-chip device that can isolate and confine a small number of molecules from a bulk solution. It traps molecules in nanofabricated chambers, or "dimples", and the trapped molecules are then studied on a fluorescence microscope at the single-molecule level. The sampling of bulk solution by dimples is representative, reproducible, and automated, enabling highthroughput single-molecule experiments. The device was applied to study hybridization of oligonucleotides, particularly in the context of reaction thermodynamics and kinetics in nanoconfinement. The DNA Pulley is a system to study protein binding and the local mechanical properties of DNA. A molecule of DNA is tethered to a surface on one end, and a superparamagnetic bead is attached to the other. A magnet pulls the DNA taut, and a silicon nitride knife with a nanoscale blade scans the DNA along its contour. Information on the local properties of the DNA is extracted by tracking the bead with nanometer precision in a white-light microscope. The system can detect proteins bound to DNA and localize their recognition sites, as shown with a model protein, EcoRI restriction enzyme. Progress on the measurements of nano-mechanical properties of DNA is included.

  9. Magneto-optical trapping of diatomic molecules

    CERN Document Server

    Hummon, Matthew T; Stuhl, Benjamin K; Collopy, Alejandra L; Xia, Yong; Ye, Jun

    2012-01-01

    The development of the magneto-optical trap revolutionized the fields of atomic and quantum physics by providing a simple method for the rapid production of ultracold, trapped atoms. A similar technique for producing a diverse set of dense, ultracold diatomic molecular species will likewise transform the study of strongly interacting quantum systems, precision measurement, and physical chemistry. We demonstrate one- and two-dimensional transverse laser cooling and magneto-optical trapping of the polar molecule yttrium (II) oxide (YO). Using a quasicycling optical transition we observe transverse Doppler cooling of a YO molecular beam to a temperature of 5 mK, limited by interaction time. With the addition of an oscillating magnetic quadrupole field we demonstrate a transverse magneto-optical trap and achieve temperatures of 2 mK.

  10. Rotational cooling of trapped polyatomic molecules

    CERN Document Server

    Glöckner, Rosa; Englert, Barbara G U; Rempe, Gerhard; Zeppenfeld, Martin

    2015-01-01

    Controlling the internal degrees of freedom is a key challenge for applications of cold and ultracold molecules. Here, we demonstrate rotational-state cooling of trapped methyl fluoride molecules (CH3F) by optically pumping the population of 16 M-sublevels in the rotational states J=3,4,5, and 6 into a single level. By combining rotational-state cooling with motional cooling, we increase the relative number of molecules in the state J=4, K=3, M=4 from a few percent to over 70%, thereby generating a translationally cold (~30mK) and nearly pure state ensemble of about 10^6 molecules. Our scheme is extendable to larger sets of initial states, other final states and a variety of molecule species, thus paving the way for internal-state control of ever larger molecules.

  11. Population redistribution in optically trapped polar molecules

    CERN Document Server

    Deiglmayr, J; Dulieu, O; Wester, R; Weidemüller, M

    2011-01-01

    We investigate the rovibrational population redistribution of polar molecules in the electronic ground state induced by spontaneous emission and blackbody radiation. As a model system we use optically trapped LiCs molecules formed by photoassociation in an ultracold two-species gas. The population dynamics of vibrational and rotational states is modeled using an ab-initio electric dipole moment function and experimental potential energy curves. Comparison with the evolution of the v"=3 electronic ground state yields good qualitative agreement. The analysis provides important input to assess applications of ultracold LiCs molecules in quantum simulation and ultracold chemistry.

  12. Cold molecules: formation, trapping and spectroscopy. - Piling up of cesium dimers in a quadrupolar magnetic trap. - Spectroscopy by lack of photo-association; Molecules froides: formation, piegeage et spectroscopie. - Accumulation de dimeres de cesium dans un piege quadrupolaire magnetique. - Spectroscopie par frustration de photoassociation

    Energy Technology Data Exchange (ETDEWEB)

    Vanhaecke, N

    2003-10-15

    This thesis deals with the study of cold molecules obtained through the cold atom photo-association technique. Our study is focused both on manipulating external degrees of freedom of these Cs{sub 2} molecules and on studying their internal interactions. A quadrupolar magnetic trap of about 2.10{sup 5} cold Cs{sub 2} molecules is demonstrated. The trap lifetime is on the order of 600 ms, mainly limited by the background gas pressure. The trapped molecules are identified, which allows the determination of the trapped molecule cloud temperature, which is about 35 {mu}K. A dipolar trap is set up by the use of a focused CO{sub 2} laser beam. Moreover, this thesis describes a two-photon photo-association spectroscopy. We report the first study of two-photon photo-association line shapes, which exhibit typical Fano profiles. Taking advantage of the detailed understanding of these line shapes, we measure over one hundred high-lying level energies with an accuracy on the order of 10 MHz. Then we interpret theoretically these energies. The huge hyperfine structure of the Cesium atom binds us to solve a coupled channel Schroedinger equation for internuclear distances above 15 a{sub 0}. Hence we use an asymptotic theory to fit the potential parameters of the Cs{sub 2} dimer. We adjust those parameters by the mean of both evolutionary strategies and deterministic optimum seeking. This is followed by a careful statistics study, which leads to a very accurate determination of the Vander Waals coefficient. Moreover we report the first experimental determination of the exchange interaction amplitude. (author)

  13. Formation of Ultracold Molecules

    Energy Technology Data Exchange (ETDEWEB)

    Cote, Robin [Univ. of Connecticut, Storrs, CT (United States)

    2016-01-28

    Advances in our ability to slow down and cool atoms and molecules to ultracold temperatures have paved the way to a revolution in basic research on molecules. Ultracold molecules are sensitive of very weak interactions, even when separated by large distances, which allow studies of the effect of those interactions on the behavior of molecules. In this program, we have explored ways to form ultracold molecules starting from pairs of atoms that have already reached the ultracold regime. We devised methods that enhance the efficiency of ultracold molecule production, for example by tuning external magnetic fields and using appropriate laser excitations. We also investigates the properties of those ultracold molecules, especially their de-excitation into stable molecules. We studied the possibility of creating new classes of ultra-long range molecules, named macrodimers, thousand times more extended than regular molecules. Again, such objects are possible because ultra low temperatures prevent their breakup by collision. Finally, we carried out calculations on how chemical reactions are affected and modified at ultracold temperatures. Normally, reactions become less effective as the temperature decreases, but at ultracold temperatures, they can become very effective. We studied this counter-intuitive behavior for benchmark chemical reactions involving molecular hydrogen.

  14. Trapping of ultracold polar molecules with a Thin Wire Electrostatic Trap

    CERN Document Server

    Kleinert, J; Zabawa, P J; Bigelow, N P

    2007-01-01

    We describe the realization of a DC electric field trap for ultracold polar molecules, the Thin WIre electroStatic Trap (TWIST). The thin wires that form the electrodes of the TWIST allow us to superimpose the trap onto a magneto-optical trap (MOT). In our experiment, ultracold polar NaCs molecules in their electronic ground state are created in the MOT via photoassociation, achieving a continuous accumulation in the TWIST of molecules in low-field seeking states. Initial measurements show that the TWIST trap lifetime is limited only by the background pressure in the chamber.

  15. Pattern formation with trapped ions

    CERN Document Server

    Lee, Tony E

    2010-01-01

    We propose an experiment to study collective behavior in a nonlinear medium of trapped ions. Using laser cooling and heating and an anharmonic trap potential, one can turn an ion into a nonlinear van der Pol-Duffing oscillator. A chain of ions interacting electrostatically has stable plane waves for all parameters. The system also behaves like an excitable medium, since a sufficiently large perturbation generates a travelling pulse. Small chains exhibit multistability and limit cycles. We account for noise from spontaneous emission in the amplitude equation and find that the patterns are observable for realistic experimental parameters. The tunability of ion traps makes them an exciting setting to study nonequilibrium statistical physics.

  16. Magnetic Trapping of Molecules via Optical Loading and Magnetic Slowing

    CERN Document Server

    Lu, Hsin-I; Hemmerling, Boerge; Piskorski, Julia; Doyle, John M

    2013-01-01

    Calcium monofluoride (CaF) is magnetically slowed and trapped using optical pumping. Starting from a collisionally cooled slow beam, CaF with an initial velocity of ~ 30 m/s is slowed via magnetic forces as it enters a 800 mK deep magnetic trap. Employing two-stage optical pumping, CaF is irreversibly loaded into the trap via two scattered photons. We observe a trap lifetime exceeding 500 ms, limited by background collisions. This method paves the way for cooling and magnetic trapping of chemically diverse molecules without closed cycling transitions.

  17. Rotational state detection of electrically trapped polyatomic molecules

    CERN Document Server

    Glöckner, Rosa; Rempe, Gerhard; Zeppenfeld, Martin

    2014-01-01

    Detecting the internal state of polar molecules is a substantial challenge when standard techniques such as resonance-enhanced multi photon ionization (REMPI) or laser-induced fluorescense (LIF) do not work. As this is the case for most polyatomic molecule species, we here investigate an alternative based on state selective removal of molecules from an electrically trapped ensemble. Specifically, we deplete molecules by driving rotational and/or vibrational transitions to untrapped states. Fully resolving the rotational state with this method can be a considerable challenge as the frequency differences between various transitions is easily substantially less than the Stark broadening in an electric trap. However, making use of a unique trap design providing homogeneous fields in a large fraction of the trap volume, we successfully discriminate all rotational quantum numbers, including the rotational M-substate.

  18. A Magneto-Optical Trap for Polar Molecules

    CERN Document Server

    Stuhl, Benjamin K; Wang, Dajun; Ye, Jun

    2008-01-01

    We propose a method for laser cooling and trapping a substantial class of polar molecules, and in particular titanium (II) oxide (TiO). This method uses pulsed electric fields to nonadiabatically remix the ground-state magnetic sublevels of the molecule, allowing us to build a magneto-optical trap (MOT) based on a quasi-cycling $J'=J"-1$ transition. Monte-Carlo simulations of this electrostatically remixed MOT (ER-MOT) demonstrate the feasibility of cooling TiO to a temperature of 10 $\\mathrm{\\mu}K$ and trapping it with a radiation-pumping-limited lifetime on the order of 80 ms.

  19. Photoassociative Production and Trapping of Ultracold KRb Molecules

    CERN Document Server

    Wang, D; Stone, M F; Nikolayeva, O; Wang, H; Hattaway, B; Gensemer, S D; Gould, P L; Eyler, E E; Stwalley, W C

    2004-01-01

    We have produced ultracold heteronuclear KRb molecules by the process of photoassociation in a two-species magneto-optical trap. Following decay of the photoassociated KRb*, the molecules are detected using two-photon ionization and time-of-flight mass spectroscopy of KRb$^+$. A portion of the metastable triplet molecules thus formed are magnetically trapped. Photoassociative spectra down to 91 cm$^{-1}$ below the K(4$s$) + Rb (5$p_{1/2}$) asymptote have been obtained. We have made assignments to all eight of the attractive Hund's case (c) KRb* potential curves in this spectral region.

  20. Improved magneto-optical trapping of a diatomic molecule

    CERN Document Server

    McCarron, D J; Steinecker, M H; DeMille, D

    2014-01-01

    We present experimental results from a new scheme for magneto-optically trapping strontium monofluoride (SrF) molecules, which provides increased confinement compared to our original work. The improved trap employs a new approach to magneto-optical trapping presented by M. Tarbutt, \\emph{arXiv preprint} 1409.0244, which provided insight for the first time into the source of the restoring force in magneto-optical traps (MOTs) where the cycling transition includes dark Zeeman sublevels (known as type-II MOTs). We measure a radial spring constant $20\\times$ greater than in our original work with SrF, comparable to the spring constants reported in atomic type-II MOTs. We achieve a trap lifetime $\\tau_{\\rm{MOT}}=136(2)$~ms, over $2\\times$ longer than originally reported for SrF. Finally, we demonstrate further cooling of the trapped molecules by briefly increasing the trapping lasers' detunings. Our trapping scheme remains a straightforward extension of atomic techniques and marks a step towards the direct product...

  1. Unraveling the Electronic Heterogeneity of Charge Traps in Conjugated Polymers by Single-Molecule Spectroscopy.

    Science.gov (United States)

    Adachi, Takuji; Vogelsang, Jan; Lupton, John M

    2014-02-06

    Charge trapping is taken for granted in modeling the characteristics of organic semiconductor devices, but very few techniques actually exist to spectroscopically pinpoint trap states. For example, trap levels are often assumed to be discrete in energy. Using the well-known keto defect in polyfluorene as a model, we demonstrate how single-molecule spectroscopy can directly track the formation of charge and exciton traps in conjugated polymers in real time, providing crucial information on the energetic distribution of trap sites relative to the polymer optical gap. Charge traps with universal spectral fingerprints scatter by almost 1 eV in depth, implying that substantial heterogeneity must be taken into account when modeling devices.

  2. Magneto-optical trapping of a diatomic molecule

    Science.gov (United States)

    Barry, J. F.; McCarron, D. J.; Norrgard, E. B.; Steinecker, M. H.; Demille, D.

    2014-08-01

    Laser cooling and trapping are central to modern atomic physics. The most used technique in cold-atom physics is the magneto-optical trap (MOT), which combines laser cooling with a restoring force from radiation pressure. For a variety of atomic species, MOTs can capture and cool large numbers of particles to ultracold temperatures (less than ~1 millikelvin) this has enabled advances in areas that range from optical clocks to the study of ultracold collisions, while also serving as the ubiquitous starting point for further cooling into the regime of quantum degeneracy. Magneto-optical trapping of molecules could provide a similarly powerful starting point for the study and manipulation of ultracold molecular gases. The additional degrees of freedom associated with the vibration and rotation of molecules, particularly their permanent electric dipole moments, allow a broad array of applications not possible with ultracold atoms. Spurred by these ideas, a variety of methods has been developed to create ultracold molecules. Temperatures below 1 microkelvin have been demonstrated for diatomic molecules assembled from pre-cooled alkali atoms, but for the wider range of species amenable to direct cooling and trapping, only recently have temperatures below 100 millikelvin been achieved. The complex internal structure of molecules complicates magneto-optical trapping. However, ideas and methods necessary for creating a molecular MOT have been developed recently. Here we demonstrate three-dimensional magneto-optical trapping of a diatomic molecule, strontium monofluoride (SrF), at a temperature of approximately 2.5 millikelvin, the lowest yet achieved by direct cooling of a molecule. This method is a straightforward extension of atomic techniques and is expected to be viable for a significant number of diatomic species. With further development, we anticipate that this technique may be employed in any number of existing and proposed molecular experiments, in applications

  3. 2D Magneto-optical trapping of diatomic molecules.

    Science.gov (United States)

    Hummon, Matthew T; Yeo, Mark; Stuhl, Benjamin K; Collopy, Alejandra L; Xia, Yong; Ye, Jun

    2013-04-05

    We demonstrate one- and two-dimensional transverse laser cooling and magneto-optical trapping of the polar molecule yttrium (II) oxide (YO). In a 1D magneto-optical trap (MOT), we characterize the magneto-optical trapping force and decrease the transverse temperature by an order of magnitude, from 25 to 2 mK, limited by interaction time. In a 2D MOT, we enhance the intensity of the YO beam and reduce the transverse temperature in both transverse directions. The approach demonstrated here can be applied to many molecular species and can also be extended to 3D.

  4. Observation of individual molecules trapped on a nanostructured insulator

    CERN Document Server

    Nony, L; Baratoff, A; Alkauskas, A; Bennewitz, R P; Pfeiffer, O; Maier, S; Wezel, A; Meyer, E; Gerber, C E; Nony, Laurent; Gnecco, Enrico Dr.; Baratoff, Alexis; Alkauskas, Audrius; Bennewitz, Roland; Pfeiffer, Oliver; Maier, Sabine; Wezel, Adrian; Meyer, Ernst; Gerber, Christophe

    2004-01-01

    For the first time, ordered polar molecules confined in monolayer-deep rectangular pits produced on an alkali halide surface by electron irradiation have been resolved at room temperature by non-contact atomic force microscopy. Molecules self-assemble in a specific fashion inside pits of width smaller than 15 nm. By contrast no ordered aggregates of molecules are observed on flat terraces. Conclusions regarding nucleation and ordering mechanisms are drawn. Trapping in pits as small as 2 nm opens a route to address single molecules.

  5. Modeling magneto-optical trapping of CaF molecules

    Science.gov (United States)

    Tarbutt, M. R.; Steimle, T. C.

    2015-11-01

    Magneto-optical trapping forces for molecules are far weaker than for alkali-metal atoms because the photon scattering rate is reduced when there are multiple ground states, and because of optical pumping into dark states. The force is further reduced when the upper state has a much smaller Zeeman splitting than the lower state. We use a rate model to estimate the strength of the trapping and damping forces in a magneto-optical trap (MOT) of CaF molecules, using either the A 2Π1 /2-X 2Σ+ transition or the B 2Σ+-X 2Σ+ transition. We identify a mechanism of magneto-optical trapping that arises when, in each beam of the MOT, two laser components with opposite polarizations and different detunings address the same transition. This mechanism produces a strong trapping force even when the upper state has little or no Zeeman splitting. It is the main mechanism responsible for the trapping force when the A 2Π1 /2-X 2Σ+ transition is used.

  6. Modeling magneto-optical trapping of CaF molecules

    CERN Document Server

    Tarbutt, M R

    2015-01-01

    Magneto-optical trapping forces for molecules are far weaker than for alkali atoms because the photon scattering rate is reduced when there are multiple ground states, and because of optical pumping into dark states. The force is further reduced when the upper state has a much smaller Zeeman splitting than the lower state. We use a rate model to estimate the strength of the trapping and damping forces in a magneto-optical trap (MOT) of CaF molecules, using either the A$^{2}\\Pi_{1/2}$ - X$^{2}\\Sigma^{+}$ transition or the B$^{2}\\Sigma^{+}$ - X$^{2}\\Sigma^{+}$ transition. We identify a new mechanism of magneto-optical trapping that arises when, in each beam of the MOT, two laser components with opposite polarizations and different detunings address the same transition. This mechanism produces a strong trapping force even when the upper state has little or no Zeeman splitting. It is the main mechanism responsible for the trapping force when the A$^{2}\\Pi_{1/2}$ - X$^{2}\\Sigma^{+}$ transition is used.

  7. Magneto-optical Trapping of a Diatomic Molecule

    Science.gov (United States)

    Demille, Dave

    2014-05-01

    The magneto-optical trap (MOT) is the workhorse technique for atomic physics in the ultracold regime, serving as the starting point in applications from optical clocks to quantum-degenerate gases. Although MOTs have been used with a wide array of atomic species, realization of a molecular MOT was long considered infeasible. In this talk we will describe the first magneto-optical trap for a molecule, strontium monofluoride (SrF). Our MOT produces the coldest trapped sample of directly-cooled molecules to date, with temperature T ~2.5 mK. The SrF MOT is loaded from a cryogenic buffer-gas beam slowed by laser radiation pressure. Images of laser-induced fluorescence allow us to characterize the trap's properties. Although magneto-optical trapping of diatomic molecules is in its infancy, our results indicate that access to the ultracold regime may be possible for several molecular species, with potential applications from quantum simulation to tests of fundamental symmetries to ultracold chemistry.

  8. Static Trapping of Polar Molecules in a Traveling Wave Decelerator

    NARCIS (Netherlands)

    Quintero-Perez, Marina; Jansen, Paul; Wall, Thomas E.; van den Berg, Joost E.; Hoekstra, Steven; Bethlem, Hendrick L.

    2013-01-01

    We present experiments on decelerating and trapping ammonia molecules using a combination of a Stark decelerator and a traveling wave decelerator. In the traveling wave decelerator, a moving potential is created by a series of ring-shaped electrodes to which oscillating high voltages (HV) are applie

  9. A Magneto-Optical Trap for Diatomic Molecules

    Science.gov (United States)

    Yeo, Mark; Hummon, Matthew; Collopy, Alejandra; Stuhl, Benjamin; Hemmerling, Boerge; Chae, Eunmi; Drayna, Garrett; Ravi, Aakash; Kuhnert, Maximilian; Petzold, Maurice; Doyle, John; Ye, Jun

    2014-05-01

    The magneto-optical trap (MOT) has long been the workhorse for atomic physics and is a powerful technique to rapidly produce ultracold, dense samples of atoms. Extending this technique to produce cold, dense samples of a diverse set of molecules will revolutionize the study of strongly interacting quantum systems, precision measurement and physical chemistry. In this work, we will report on progress towards the realization of a 3 dimensional MOT for the polar molecule YO. We are implementing a chirped frequency laser slowing scheme, where the buffer gas cooled molecules are slowed to a trappable velocity of 10 m/s. The 3D trapping is generated with a quasi-cycling transition and an oscillating quadrupole magnetic field. Current affiliation: Joint Quantum Institute, NIST and University of Maryland.

  10. Improved magneto-optical trapping of a diatomic molecule

    Science.gov (United States)

    Norrgard, Eric; McCarron, Daniel; Steinecker, Matthew; Demille, David

    2015-05-01

    The magneto-optical trap (MOT) is the workhorse technique for atomic physics in the ultracold regime, serving as the starting point in applications from optical clocks to quantum-degenerate gases. Recently, our group demonstrated the first magneto-optical trap for a molecule, strontium monofluoride (SrF). Here, we present experimental results of two variant trapping schemes which improve upon the original work. In the first, recent insights into the origin of the restoring force in Type-II MOTs (rarely used for atoms but requisite for SrF and other candidate molecules) led to a simple change in polarization scheme for the MOT lasers. In the second, states dark to the restoring MOT beams are diabatically transferred to bright states by synchronously reversing the magnetic field gradient and the laser polarization at RF frequencies. Although magneto-optical trapping of diatomic molecules is in its infancy, our results indicate that access to the ultracold regime may be possible for several molecular species, with potential applications from quantum simulation to tests of fundamental symmetries to ultracold chemistry. We acknowledge funding from ARO and ARO (MURI). E.B.N. acknowledges funding from the NSF GRFP.

  11. Molecule Formation on Interstellar Grains

    Science.gov (United States)

    Vidali, G.

    2011-05-01

    The first experiments that were expressively designed to be applicable to hydrogen formation reactions in the ISM measured the efficiency of formation of molecular hydrogen on a polycrystalline olivine (Pirronello et al. (1997a)). It soon turned out that more was needed, and research began on the mechanism of reaction, on the in uence of the surface morphology, and on the excitation of the just- ormed molecule. In this review, I summarize what we learned from these and other experiments, and where more work is needed: in the elementary steps of reaction, in the bridging of the laboratory-ISM gap (large ux/large surface - small ux/small grain) using simulations, and in using realistic samples of dust grains. Understanding what experiments can and cannot deliver will help in designing and targeting observations, and vice-versa.

  12. Laser cooling, slowing and trapping of a diatomic molecule

    Science.gov (United States)

    Barry, John

    2015-05-01

    Roughly three decades ago, laser cooling and trapping succeeded in producing ultracold ions and atoms, sparking a revolution in atomic physics and subsequently becoming workhorse techniques within the field. These techniques require a ``cycling transition,'' where the particle of interest is repeatedly driven by a photon into an excited electronic state and quickly decays back to the initial ground state, allowing the process to repeat. Because photon absorption transfers momentum to the particle, application of force is possible. Adjusting the geometry and frequency of the applied photons allows creation of a damping (cooling) force. Further addition of a quadrupole magnetic field allows for a restoring (trapping) force. Prior to this thesis, straightforward extension of these methods to molecules was considered a practical impossibility; electronic decays in molecules tend to populate multiple rotational and vibrational states, preventing creation of a cycling transition. While a variety of ultracold molecular species is desirable to satisfy a range of applications, the only other production method is limited to species where the constituent atoms are themselves amenable to laser cooling. For other species, a different technique is required. Here we outline the methods and experiments in which laser cooling and trapping were first applied to molecules. By careful molecule choice, by using a cooling transition that exploits selection rules, and by counteracting dark states with a magnetic field, we create a cycling transition for the diatomic molecule strontium monofluoride (SrF). We show the power of this technique by demonstrating Doppler and sub-Doppler cooling in 1-D, radiation pressure slowing and stopping of a molecular beam, and finally a 3-D magneto-optical trap (MOT). Our MOT produces the coldest trapped sample of directly-cooled molecules to date, with a temperature of T ~ 2.5 mK. This method is viable for several classes of diatomic molecules with a

  13. Magneto-optical trapping of a diatomic molecule

    CERN Document Server

    Barry, J F; Norrgard, E B; Steinecker, M H; DeMille, D

    2014-01-01

    Laser cooling and trapping are central to modern atomic physics. The workhorse technique in cold-atom physics is the magneto-optical trap (MOT), which combines laser cooling with a restoring force from radiation pressure. For a variety of atomic species, MOTs can capture and cool large numbers of particles to ultracold temperatures (<1 mK); this has enabled the study of a wide range of phenomena from optical clocks to ultracold collisions whilst also serving as the ubiquitous starting point for further cooling into the regime of quantum degeneracy. Magneto-optical trapping of molecules could provide a similarly powerful starting point for the study and manipulation of ultracold molecular gases. Here, we demonstrate three-dimensional magneto-optical trapping of a diatomic molecule, strontium monofluoride (SrF), at a temperature of approximately 2.5 mK. This method is expected to be viable for a significant number of diatomic species. Such chemical diversity is desired for the wide array of existing and prop...

  14. Formation of ultracold LiCs molecules

    CERN Document Server

    Kraft, S D; Lange, J; Vogel, L; Wester, R; Weidemüller, M; Kraft, Stephan D.; Staanum, Peter; Lange, Joerg; Vogel, Leif; Wester, Roland; Weidemueller, Matthias

    2006-01-01

    We present the first observation of ultracold LiCs molecules. The molecules are formed in a two-species magneto-optical trap and detected by two-photon ionization and time-of-flight mass spectrometry. The production rate coefficient is found to be in the range $10^{-18}\\unit{cm^3s^{-1}}$ to $10^{-16}\\unit{cm^3s^{-1}}$, at least an order of magnitude smaller than for other heteronuclear diatomic molecules directly formed in a magneto-optical trap.

  15. Evaluation of efficiency and trapping capacity of restricted access media trap columns for the online trapping of small molecules.

    Science.gov (United States)

    Baghdady, Yehia Z; Schug, Kevin A

    2016-11-01

    Restricted access media are generally composed from multi-modal particles that combine a size excluding outer surface and an inner-pore retention mechanism for small molecules. Such materials can be used for either online isolation and pre-concentration of target small molecules or removal of small molecule interferences from large macromolecules, such as proteins in complex biological matrices. Thus, they are considered as enhanced online solid-phase extraction materials. We evaluated the efficiency and trapping capacity of different semi-permeable surface restricted access media columns (C18 , C8 , and C4 inner pores) for four model small molecule compounds (dopamine hydrochloride, acetaminophen, 4-hydroxybenzoic acid, and diethyl phthalate) having variable physicochemical properties. We further studied the effect of mobile phase flow rate (0.25, 0.5, 1, and 2 mL/min) and pH, using 98:2 0.5% acetic acid in water/ methanol (pH 2.88) and 5 mM ammonium acetate in 98:2 water/methanol (pH 6.61) as mobile phases. Breakthrough curves generated using frontal analysis were analyzed to determine important chromatographic parameters specific for each of the studied compounds. Experimental determination of these parameters allowed selection of the most efficient trap column and the best loading mobile phase conditions for maximal solute enrichment and pre-concentration on restricted access media trap columns.

  16. Microwave-mediated magneto-optical trap for polar molecules

    Science.gov (United States)

    Dizhou, Xie; Wenhao, Bu; Bo, Yan

    2016-05-01

    Realizing a molecular magneto-optical trap has been a dream for cold molecular physicists for a long time. However, due to the complex energy levels and the small effective Lande g-factor of the excited states, the traditional magneto-optical trap (MOT) scheme does not work very well for polar molecules. One way to overcome this problem is the switching MOT, which requires very fast switching of both the magnetic field and the laser polarizations. Switching laser polarizations is relatively easy, but fast switching of the magnetic field is experimentally challenging. Here we propose an alternative approach, the microwave-mediated MOT, which requires a slight change of the current experimental setup to solve the problem. We calculate the MOT force and compare it with the traditional MOT and the switching MOT scheme. The results show that we can operate a good MOT with this simple setup. Project supported by the Fundamental Research Funds for the Central Universities of China.

  17. Adjustable microchip ring trap for cold atoms and molecules

    CERN Document Server

    Baker, Paul M; Squires, Matthew B; Scoville, James A; Carlson, Evan J; Buchwald, Walter R; Miller, Steven M

    2009-01-01

    We describe the design and function of a circular magnetic waveguide for deBroglie waves produced from wires on a microchip. The guide is a two-dimensional magnetic minimum for trapping weak-field seeking states of atoms or molecules with a magnetic dipole moment. The design consists of seven circular wires sharing a common radius. We describe the design, the time-dependent currents of the wires and show that it is possible to form a circular waveguide with adjustable height and gradient while minimizing perturbation resulting from leads or wire crossings. This maximal area geometry is suited for rotation sensing with atom interferometry via the Sagnac effect using either cold atoms, molecules and Bose-condensed systems.

  18. Sub-millikelvin dipolar molecules in a radio-frequency magneto-optical trap

    CERN Document Server

    Norrgard, E B; Steinecker, M H; Tarbutt, M R; DeMille, D

    2015-01-01

    We demonstrate a scheme for magneto-optically trapping strontium monofluoride (SrF) molecules at temperatures one order of magnitude lower and phase space densities three orders of magnitude higher than obtained previously with laser-cooled molecules. In our trap, optical dark states are destabilized by rapidly and synchronously reversing the trapping laser polarizations and the applied magnetic field gradient. The number of molecules and trap lifetime are also significantly improved from previous work by loading the trap with high laser power and then reducing the power for long-term trapping. With this procedure, temperatures as low as 400 $\\mu$K are achieved.

  19. Metabolic requirements for neutrophil extracellular traps formation

    Science.gov (United States)

    Rodríguez-Espinosa, Oscar; Rojas-Espinosa, Oscar; Moreno-Altamirano, María Maximina Bertha; López-Villegas, Edgar Oliver; Sánchez-García, Francisco Javier

    2015-01-01

    As part of the innate immune response, neutrophils are at the forefront of defence against infection, resolution of inflammation and wound healing. They are the most abundant leucocytes in the peripheral blood, have a short lifespan and an estimated turnover of 1010 to 1011 cells per day. Neutrophils efficiently clear microbial infections by phagocytosis and by oxygen-dependent and oxygen-independent mechanisms. In 2004, a new neutrophil anti-microbial mechanism was described, the release of neutrophil extracellular traps (NETs) composed of DNA, histones and anti-microbial peptides. Several microorganisms, bacterial products, as well as pharmacological stimuli such as PMA, were shown to induce NETs. Neutrophils contain relatively few mitochondria, and derive most of their energy from glycolysis. In this scenario we aimed to analyse some of the metabolic requirements for NET formation. Here it is shown that NETs formation is strictly dependent on glucose and to a lesser extent on glutamine, that Glut-1, glucose uptake, and glycolysis rate increase upon PMA stimulation, and that NET formation is inhibited by the glycolysis inhibitor, 2-deoxy-glucose, and to a lesser extent by the ATP synthase inhibitor oligomycin. Moreover, when neutrophils were exposed to PMA in glucose-free medium for 3 hr, they lost their characteristic polymorphic nuclei but did not release NETs. However, if glucose (but not pyruvate) was added at this time, NET release took place within minutes, suggesting that NET formation could be metabolically divided into two phases; the first, independent from exogenous glucose (chromatin decondensation) and, the second (NET release), strictly dependent on exogenous glucose and glycolysis. PMID:25545227

  20. Long-Range Trilobite-like Cs Molecules in a Crossed 1064 nm Dipole Trap

    Science.gov (United States)

    Tallant, Jonathan; Booth, Donald; Marcassa, Luis; Marangoni, Bruno; Shaffer, James

    2011-05-01

    In the past, our group has observed long-range Rydberg atom- Rydberg atom molecules created within a MOT. The density required to observe such molecules can be relatively low, 1010 cm-3 because the bound states exist at internuclear separations between ~ 3 μ m and ~ 9 μ m. The increase in density to ~1013 cm-3 in a crossed dipole trap allows for new types of molecule formation which are inefficient in lower density traps, like the MOT. In particular, new bonding mechanisms may arise from the low-energy scattering of a Rydberg atom electron (with negative scattering length) from a ground state atom, so called trilobite and trilobite-like molecules. We present data on the spectroscopic identification of Cs n2S1 / 2 + 62S1 / 2 trilobite-like molecules. Progress on resolving the vibrational structure of both singlet and triplet species will be presented. We acknowledge funding from ARO (W911-NF-08-1-0257), NSF (PHY- 0855324) and NSF (OISE-0756321).

  1. Theoretical model for ultracold molecule formation via adaptive feedback control

    CERN Document Server

    Poschinger, U; Wester, R; Weidemüller, M; Koch, C P; Kosloff, R; Poschinger, Ulrich; Salzmann, Wenzel; Wester, Roland; Weidemueller, Matthias; Koch, Christiane P.; Kosloff, Ronnie

    2006-01-01

    We investigate pump-dump photoassociation of ultracold molecules with amplitude- and phase-modulated femtosecond laser pulses. For this purpose a perturbative model for the light-matter interaction is developed and combined with a genetic algorithm for adaptive feedback control of the laser pulse shapes. The model is applied to the formation of 85Rb2 molecules in a magneto-optical trap. We find for optimized pulse shapes an improvement for the formation of ground state molecules by more than a factor of 10 compared to unshaped pulses at the same pump-dump delay time, and by 40% compared to unshaped pulses at the respective optimal pump-dump delay time. Since our model yields directly the spectral amplitudes and phases of the optimized pulses, the results are directly applicable in pulse shaping experiments.

  2. Stochastic Models of Molecule Formation on Dust

    Science.gov (United States)

    Charnley, Steven; Wirstroem, Eva

    2011-01-01

    We will present new theoretical models for the formation of molecules on dust. The growth of ice mantles and their layered structure is accounted for and compared directly to observations through simulation of the expected ice absorption spectra

  3. Dynamic Trap Formation and Elimination in Colloidal Quantum Dots

    KAUST Repository

    Voznyy, O.

    2013-03-21

    Using first-principles simulations on PbS and CdSe colloidal quantum dots, we find that surface defects form in response to electronic doping and charging of the nanoparticles. We show that electronic trap states in nanocrystals are dynamic entities, in contrast with the conventional picture wherein traps are viewed as stable electronic states that can be filled or emptied, but not created or destroyed. These traps arise from the formation or breaking of atomic dimers at the nanoparticle surface. The dimers\\' energy levels can reside within the bandgap, in which case a trap is formed. Fortunately, we are also able to identify a number of shallow-electron-affinity cations that stabilize the surface, working to counter dynamic trap formation and allowing for trap-free doping. © 2013 American Chemical Society.

  4. Linear Ion Trap for the Mars Organic Molecule Analyzer

    Science.gov (United States)

    Brinckerhoff, William; Arevalo, Ricardo; Danell, Ryan; van Amerom, Friso; Pinnick, Veronica; Li, Xiang; Hovmand, Lars; Getty, Stephanie; Mahaffy, Paul; Goesmann, Fred; Steininger, Harald

    2014-05-01

    The 2018 ExoMars rover mission includes the Mars Organic Molecule Analyzer (MOMA) investigation. MOMA will examine the chemical composition of samples acquired from depths of up to two meters below the martian surface, where organics may be protected from radiative and oxidative degradation. When combined with the complement of instruments in the rover's Pasteur Payload, MOMA has the potential to reveal the presence of a wide range of organics preserved in a variety of mineralogical environments, and to begin to understand the structural character and potential origin of those compounds. MOMA includes a linear, or 2D, ion trap mass spectrometer (ITMS) that is designed to analyze molecular composition of (i) gas evolved from pyrolyzed powder samples and separated on a gas chromatograph and (ii) ions directly desorbed from solid samples at Mars ambient pressure using a pulsed laser and a fast-valve capillary ion inlet system. This "dual source" approach gives MOMA unprecedented breadth of detection over a wide range of molecular weights and volatilities. Analysis of nonvolatile, higher-molecular weight organics such as carboxylic acids and peptides even in the presence of significant perchlorate concentrations is enabled by the extremely short (~1 ns) pulses of the desorption laser. Use of the ion trap's tandem mass spectrometry mode permits selective focus on key species for isolation and controlled fragmentation, providing structural analysis capabilities. The flight-like engineering test unit (ETU) of the ITMS, now under construction, will be used to verify breadboard performance with high fidelity, while simultaneously supporting the development of analytical scripts and spectral libraries using synthetic and natural Mars analog samples guided by current results from MSL. ETU campaign data will strongly advise the specifics of the calibration applied to the MOMA flight model as well as the science operational procedures during the mission.

  5. Optimizing the Stark-decelerator beamline for the trapping of cold molecules using evolutionary strategies

    CERN Document Server

    Gilijamse, J J; Hoekstra, S; De van Meerakker, S Y T; Meijer, G; Gilijamse, Joop J.; K\\"upper, Jochen; Hoekstra, Steven; Meerakker, Sebastiaan Y. T. van de; Meijer, Gerard

    2006-01-01

    We demonstrate feedback control optimization for the Stark deceleration and trapping of neutral polar molecules using evolutionary strategies. In a Stark-decelerator beamline pulsed electric fields are used to decelerate OH radicals and subsequently store them in an electrostatic trap. The efficiency of the deceleration and trapping process is determined by the exact timings of the applied electric field pulses. Automated optimization of these timings yields an increase of 40 % of the number of trapped OH radicals.

  6. Coherent control of ultracold molecule dynamics in a magneto-optical trap using chirped femtosecond laser pulses

    CERN Document Server

    Brown, B L; Walmsley, I A; Brown, Benjamin L.; Dicks, Alexander J.; Walmsley, Ian A.

    2005-01-01

    We have studied the effects of chirped femtosecond laser pulses on the formation of ultracold molecules in a Rb magneto-optical trap. We have found that application of chirped femtosecond pulses suppressed the formation of 85Rb-2 and 87Rb-2 lowest triplet state molecules in contrast to comparable non-chirped pulses, cw illumination, and background formation rates. Variation of the amount of chirp indicated that this suppression is coherent in nature, suggesting that coherent control is likely to be useful for manipulating the dynamics of ultracold quantum molecular gases.

  7. Coherent control of ultracold molecule dynamics in a magneto-optical trap by use of chirped femtosecond laser pulses.

    Science.gov (United States)

    Brown, Benjamin L; Dicks, Alexander J; Walmsley, Ian A

    2006-05-05

    We have studied the effects of chirped femtosecond laser pulses on the formation of ultracold molecules in a Rb magneto-optical trap. We have found that application of chirped femtosecond pulses suppressed the formation of (85)Rb and (87)Rb(2) a(3)sigma(+)(u) molecules in contrast to comparable nonchirped pulses, cw illumination, and background formation rates. Variation of the amount of chirp indicated that this suppression is coherent in nature, suggesting that coherent control is likely to be useful for manipulating the dynamics of ultracold quantum molecular gases.

  8. New directions in direct laser cooling and trapping of diatomic molecules

    Science.gov (United States)

    Steinecker, Matthew; McCarron, Daniel; Norrgard, Eric; Edwards, Eustace; Demille, David

    2015-05-01

    In recent years, tremendous progress has been made in laser cooling and trapping of molecules. With the achievement of a magneto-optical trap (MOT) for the diatomic molecule SrF, a range of novel experiments employing ultracold molecules may be within reach. Here we present planned improvements to our SrF MOT apparatus, including plans for more efficient MOT loading, sub-Doppler cooling, loading into a conservative trap, and co-trapping of atoms. These and other improvements should allow increases in trapped molecule number, lifetime, and phase-space density. We illustrate some of the experiments that will be enabled by these improvements, such as studies of inelastic and reactive atom-molecule collisions at ultracold temperatures and investigations of sympathetic and evaporative cooling of SrF.

  9. Cold cesium molecules produced directly in a magneto-optical trap

    Institute of Scientific and Technical Information of China (English)

    Zhang Hong-Shan; Ji Zhong-Hua; Yuan Jin-Peng; Zhao Yan-Ting; Ma Jie; Wang Li-Rong; Xiao Lian-Tuan; Jia Suo-Tang

    2011-01-01

    We report on the observation of ultracold ground electric-state cesium molecules produced directly in a magnetooptical trap with a good signal-to-noise ratio.These molecules arise from the photoassociation of magneto-optical trap lasers and they are detected by resonantly enhanced multiphoton ionization technology.The production rate of ultracold cesium molecules is up to 4× 104 s-1.We measure the characteristic time of the ground electric-state cesium molecules generated in the experiment and investigate the Cs2+ molecular ion intensity as a function of the trapping laser intensity and the ionization pulse laser energy.We conclude that the production of cold cesium molecules may be enhanced by using appropriate experimental parameters,which is useful for future experiments involving the production and trapping of ultracold ground electric-state molecules.

  10. Submillikelvin Dipolar Molecules in a Radio-Frequency Magneto-Optical Trap

    Science.gov (United States)

    Steinecker, Matthew; Norrgard, Eric; McCarron, Daniel; Tarbutt, Michael; Demille, David

    2016-05-01

    The rich level structures of diatomic molecules enable a wide range of experiments in ultracold chemistry, precision measurement, and quantum simulation, but this same structure poses challenges in laser cooling and trapping. Here we present a scheme for magneto-optically trapping SrF molecules by rapidly and synchronously reversing the trapping laser polarizations and the applied magnetic field gradient to destabilize optical dark states. We achieve trapping of SrF at temperatures one order of magnitude lower and phase-space densities 3 orders of magnitude higher than obtained previously with laser-cooled molecules. The number of molecules and trap lifetime are also improved by loading the trap with high laser power and then reducing the power for long-term trapping. With this procedure, temperatures as low as 400 μK are achieved. We are currently pursuing several approaches to increase the phase-space density of the trapped sample, including applying sub-Doppler cooling and improving the efficiency of the laser slowing stage, prior to loading the molecules into a conservative trap. This work is supported by ARO and ARO (MURI). E. B. N. acknowledges support from NSF GRFP.

  11. Molecules during stellar formation and death

    NARCIS (Netherlands)

    Li, Xiaohu

    2015-01-01

    This thesis explores the chemistry of interstellar and circumstellar molecules during star formation and death. From the perspective of chemical physics, the most important outcome of this thesis lies in that the rates for two important reactions are determined accurately for the first time: N2 phot

  12. Induction of trap formation in nematode-trapping fungi by bacteria-released ammonia.

    Science.gov (United States)

    Su, H N; Xu, Y Y; Wang, X; Zhang, K Q; Li, G H

    2016-04-01

    A total of 11 bacterial strains were assayed for bacteria-induced trap formation in the nematode-trapping fungus Arthrobotrys oligospora YMF1·01883 with two-compartmented Petri dish. These strains were identified on the basis of their 16S rRNA gene sequences. Volatile organic compounds (VOCs) of eight isolates were extracted using solid-phase micro-extraction (SPME) and their structures were identified based on gas chromatography-mass spectrometry (GC-MS). At the same time, all isolates were used for quantitative measurement of ammonia by the indophenol blue method. The effects of pure commercial compounds on inducement of trap formation in A. oligospora were tested. Taken together, results demonstrated that the predominant bacterial volatile compound inducing trap formation was ammonia. Meanwhile, ammonia also played a role in other nematode-trapping fungi, including Arthrobotrys guizhouensis YMF1·00014, producing adhesive nets; Dactylellina phymatopaga YMF1·01474, producing adhesive knobs; Dactylellina cionopaga YMF1·01472, producing adhesive columns and Drechslerella brochopaga YMF1·01829, producing constricting rings.

  13. Magneto-optical trapping forces for atoms and molecules with complex level structures

    Science.gov (United States)

    Tarbutt, M. R.

    2015-01-01

    Laser cooling and magneto-optical trapping of molecules typically involves multiple transitions driven by several laser frequencies. We analyze how magneto-optical trapping forces depend on the angular momenta, Fl and Fu, and the g-factors, gl and gu, of the lower and upper states. When {{F}l}\\gt {{F}u} the polarizations must be reversed relative to cases where {{F}u}≥slant {{F}l}. The correct choice of circular polarization depends on the sign of gu but not on the sign of gl. If gu is zero there is no trapping force, and the trapping force is very weak whenever gu is small compared to gl, which it usually is when the cooling transition is the 2Σ to 2{{\\Pi }1/2} transition of a molecule. For some molecules, mixing of the excited 2{{\\Pi }1/2} state with a nearby 2Σ excited state can greatly increase gu, leading to stronger trapping forces. A strong trapping force can also be produced by rapidly and synchronously reversing both the magnetic field and the laser polarizations. We simulate a recent experiment on magneto-optical trapping of SrF molecules, and suggest that an alternative choice of laser beam polarizations will strengthen the trapping force.

  14. Manufacturing a thin wire electrostatic trap (TWIST) for ultracold polar molecules

    CERN Document Server

    Kleinert, J; Zabawa, P J; Bigelow, N P

    2007-01-01

    We present a detailed description on how to build a Thin WIre electroStatic Trap (TWIST) for ultracold polar molecules which can be superimposed onto a magneto optical trap. The required parts are easily accessible and inexpensive (bill of parts $<$\\$1000). A machine shop, a protected atmosphere glove box, and a fume hood are sufficient to manufacture the TWIST.

  15. Impact of overlapping resonances on magnetoassociation of cold molecules in tight traps

    Science.gov (United States)

    Jachymski, Krzysztof

    2016-10-01

    Overlapping Feshbach resonances are commonly observed in experiments with ultracold atoms and can influence the molecule production process. We derive an effective approach to describe magnetoassociation in an external trap in the presence of multiple overlapping resonances. We study how the strength and shape of the trap affects the energy level structure and demonstrate the existence of a regime in which the conventional two-channel Landau-Zener description of the molecule production process breaks down.

  16. Impact of overlapping resonances on magnetoassociation of cold molecules in tight traps

    CERN Document Server

    Jachymski, Krzysztof

    2016-01-01

    Overlapping Feshbach resonances are commonly observed in experiments with ultracold atoms and can influence the molecule production process. We derive an effective approach to describe magnetoassociation in an external trap in the presence of multiple overlapping resonances. We study how the strength and shape of the trap affects the energy level structure and demonstrate the existence of a regime in which the conventional two-channel Landau-Zener description of the molecule production process breaks down.

  17. Feedback-controlled electro-kinetic traps for single-molecule spectroscopy

    Indian Academy of Sciences (India)

    Manoj Kumbakhar; Dirk Hähnel; Ingo Gregor; Jörg Enderlein

    2014-01-01

    A principal limitation of single-molecule spectroscopy in solution is the diffusionlimited residence time of a given molecule within the detection volume. A common solution to this problem is to immobilize molecules of interest on a passivated glass surface for extending the observation time to obtain reliable data statistics. However, surface tethering of molecules often introduces artifacts, particularly when studying the structural dynamics of biomolecules. To circumvent this limitation, we investigated alternative ways to extend single-molecule observation times in solution without surface immobilization. Among various possibilities, the so-called anti-Brownian electro-kinetic trap (or ABEL trap) seems best suited to achieve this goal. The essential part of this trap is a feedback-controlled electro-kinetic steering of a molecule’s position in reaction to its diffusive Brownian motion which is monitored by fluorescence, thus keeping the molecule within a sub-micron sized detection volume. Fluorescence trace recordings of over thousands of milliseconds duration on individual dye molecules within an ABEL trap have been reported. In this short review, we shall briefly discuss the principle and some results of ABEL trapping of individual molecules with possible extensions to future works.

  18. Time scales for molecule formation by ion-molecule reactions

    Science.gov (United States)

    Langer, W. D.; Glassgold, A. E.

    1976-01-01

    Analytical solutions are obtained for nonlinear differential equations governing the time-dependence of molecular abundances in interstellar clouds. Three gas-phase reaction schemes are considered separately for the regions where each dominates. The particular case of CO, and closely related members of the Oh and CH families of molecules, is studied for given values of temperature, density, and the radiation field. Nonlinear effects and couplings with particular ions are found to be important. The time scales for CO formation range from 100,000 to a few million years, depending on the chemistry and regime. The time required for essentially complete conversion of C(+) to CO in the region where the H3(+) chemistry dominates is several million years. Because this time is longer than or comparable to dynamical time scales for dense interstellar clouds, steady-state abundances may not be observed in such clouds.

  19. Observation of cold Rb{sub 2} molecules trapped in an optical dipole trap using a laser-pulse-train technique

    Energy Technology Data Exchange (ETDEWEB)

    Menegatti, Carlos R.; Marangoni, Bruno S.; Marcassa, Luis G. [Instituto de Fisica de Sao Carlos, Universidade de Sao Paulo, Caixa Postal 369, 13560-970, Sao Carlos, SP (Brazil)

    2011-11-15

    In this work, we have developed and characterized a laser-pulse-train technique to observe cold Rb{sub 2} molecules trapped in an optical dipole trap. The molecules are produced in a magneto-optical trap, and then loaded into a crossed optical dipole trap. The time evolution of the molecular population is obtained by applying a laser pulse train, which photoionizes the ground-state molecules through intermediate molecular bands. Our results show that this technique allows us to obtain a faster data acquisition rate of the time evolution of the molecule population than other techniques.

  20. AC trapping and high-resolution spectroscopy of ammonia molecules

    NARCIS (Netherlands)

    Veldhoven, Jacqueline van

    2006-01-01

    Cold molecules are potentially beneficial for several areas of research. They have applications in spectroscopy, collision studies and, for instance, the study of the effects of dipole-dipole interactions in BECs. One method to decelerate and thereby cool down neutral dipolar molecules is to use a S

  1. AC trapping and high-resolution spectroscopy of ammonia molecules

    NARCIS (Netherlands)

    Veldhoven, Jacqueline van

    2006-01-01

    Cold molecules are potentially beneficial for several areas of research. They have applications in spectroscopy, collision studies and, for instance, the study of the effects of dipole-dipole interactions in BECs. One method to decelerate and thereby cool down neutral dipolar molecules is to use a

  2. Observations of Shoaling Nonlinear Internal Waves: Formation of Trapped Cores

    Science.gov (United States)

    Lien, R.; D'Asaro, E. A.; Chang, M.; Tang, T.; Yang, Y.

    2006-12-01

    Large-amplitude nonlinear internal waves (NLIWs) shoaling on the continental slope in the northern South China Sea are observed. Observed NLIWs often reach the breaking limit, the maximum horizontal current velocity exceeding the wave speed, and trapped cores are formed with recirculating fluid. The conjugate flow does not form. The vertical position of the maximum horizontal velocity is displaced from surface to subsurface, via the formation of the trapped core. Trapped-core NLIWs are strongly dissipative and evolve rapidly into trains of NLIWs. The vertical overturning is as large as 75 m, and the turbulence kinetic energy dissipation rate is estimated as O(10^{-5}) W kg-1. We propose that the formation and the evolution of trapped cores catalyze the generation of the trains of NLIWs on the Dongsha plateau often captured by satellite images and by recent field observations. The generation, evolution, fission, dissipation, and energetics of observed trapped-core NLIWs will be discussed and compared with results of numerical models and laboratory experiments.

  3. Formation of ultracold RbCs molecules by photoassociation

    CERN Document Server

    Bouloufa-Maafa, N; Dulieu, O; Gabbanini, C

    2011-01-01

    The formation of ultracold metastable RbCs molecules is observed in a double species magneto-optical trap through photoassociation below the ^85Rb(5S_1/2)+^133Cs(6P_3/2) dissociation limit followed by spontaneous emission. The molecules are detected by resonance enhanced two-photon ionization. Using accurate quantum chemistry calculations of the potential energy curves and transition dipole moment, we interpret the observed photoassociation process as occurring at short internuclear distance, in contrast with most previous cold atom photoassociation studies. The vibrational levels excited by photoassociation belong to the 5th 0^+ or the 4th 0^- electronic states correlated to the Rb(5P_1/2,3/2)+Cs(6S_1/2) dissociation limit. The computed vibrational distribution of the produced molecules shows that they are stabilized in deeply bound vibrational states of the lowest triplet state. We also predict that a noticeable fraction of molecules is produced in the lowest level of the electronic ground state.

  4. The formation of molecules in protostellar winds

    Energy Technology Data Exchange (ETDEWEB)

    Glassgold, A.E.; Mamon, G.A.; Huggins, P.J. (New York University, NY (USA))

    1991-05-01

    The production and destruction processes for molecules in very fast protostellar winds are analyzed and modeled with a one-dimensional chemical kinetics code. Radial density and temperature distributions suggested by protostellar theory are explored as are a range of mass-loss rates. The efficiency of in situ formation of heavy molecules is found to be high if the wind temperature falls sufficiently rapidly, as indicated by theory. The degree of molecular conversion is a strong function of the mass-loss rate and of density gradients associated with the acceleration and collimation of the wind. Even in cases where essentially all of the heavy atoms are processed into molecules, a significant fraction of atomic hydrogen remains so that hghly molecular, protostellar winds are able to emit the 21-cm line. Although CO has a substantial abundance in most models relevant to very young protostars, high abundances of other molecules such as SiO and H2O signify more complete association characteristic of winds containing regions of very high density. Although the models apply only to regions close to the protostar, they are in qualitative accord with recent observations at much larger distances of both atomic and molecular emission from extremely high-velocity flow. 57 refs.

  5. The formation of molecules in protostellar winds

    Science.gov (United States)

    Glassgold, A. E.; Mamon, G. A.; Huggins, P. J.

    1991-05-01

    The production and destruction processes for molecules in very fast protostellar winds are analyzed and modeled with a one-dimensional chemical kinetics code. Radial density and temperature distributions suggested by protostellar theory are explored as are a range of mass-loss rates. The efficiency of in situ formation of heavy molecules is found to be high if the wind temperature falls sufficiently rapidly, as indicated by theory. The degree of molecular conversion is a strong function of the mass-loss rate and of density gradients associated with the acceleration and collimation of the wind. Even in cases where essentially all of the heavy atoms are processed into molecules, a significant fraction of atomic hydrogen remains so that highly molecular, protostellar winds are able to emit the 21-cm line. Although CO has a substantial abundance in most models relevant to very young protostars, high abundances of other molecules such as SiO and H2O signify more complete association characteristic of winds containing regions of very high density. Although the models apply only to regions close to the protostar, they are in qualitative accord with recent observations at much larger distances of both atomic and molecular emission from extremely high-velocity flow.

  6. The formation of molecules in protostellar winds

    Science.gov (United States)

    Glassgold, A. E.; Mamon, G. A.; Huggins, P. J.

    1991-01-01

    The production and destruction processes for molecules in very fast protostellar winds are analyzed and modeled with a one-dimensional chemical kinetics code. Radial density and temperature distributions suggested by protostellar theory are explored as are a range of mass-loss rates. The efficiency of in situ formation of heavy molecules is found to be high if the wind temperature falls sufficiently rapidly, as indicated by theory. The degree of molecular conversion is a strong function of the mass-loss rate and of density gradients associated with the acceleration and collimation of the wind. Even in cases where essentially all of the heavy atoms are processed into molecules, a significant fraction of atomic hydrogen remains so that hghly molecular, protostellar winds are able to emit the 21-cm line. Although CO has a substantial abundance in most models relevant to very young protostars, high abundances of other molecules such as SiO and H2O signify more complete association characteristic of winds containing regions of very high density. Although the models apply only to regions close to the protostar, they are in qualitative accord with recent observations at much larger distances of both atomic and molecular emission from extremely high-velocity flow.

  7. Cosmic string formation by flux trapping

    CERN Document Server

    Blanco-Pillado, Jose J; Vilenkin, Alexander

    2007-01-01

    We study the formation of cosmic strings by confining a stochastic magnetic field into flux tubes in a numerical simulation. We use overdamped evolution in a potential that is minimized when the flux through each face in the simulation lattice is a multiple of the fundamental flux quantum. When the typical number of flux quanta through a correlation-length-sized region is initially about 1, we find a string network similar to that generated by the Kibble-Zurek mechanism. With larger initial flux, the loop distribution and the Brownian shape of the infinite strings remain unchanged, but the fraction of length in infinite strings is increased. A 2D slice of the network exhibits bundles of strings pointing in the same direction, as in earlier 2D simulations. We find, however, that strings belonging to the same bundle do not stay together in 3D for much longer than the correlation length. As the initial flux per correlation length is decreased, there is a point at which infinite strings disappear, as in the Haged...

  8. Two-dimensional novel optical lattices with multi-well traps for cold atoms or molecules

    Institute of Scientific and Technical Information of China (English)

    Junfa Lu; Xianming Ji; Jianping Yin

    2006-01-01

    We propose some new schemes to constitute two-dimensional (2D) array of multi-well optical dipole traps for cold atoms (or molecules) by using an optical system consisting of a binary π-phase grating and a 2D array of rectangle microlens. We calculate the intensity distribution of each optical well in 2D array of multi-well traps and its geometric parameters and so on. The proposed 2D array of multi-well traps can be used to form novel 2D optical lattices with cold atoms (or molecules), and form various novel optical crystals with cold atoms (or molecules), or to perform quantum computing and quantum information processing on an atom chip, even to realize an array of all-optical multi-well atomic (or molecular) BoseEinstein condensates (BECs) on an all-optical integrated atom (or molecule) chip.

  9. Electrostatic Surface Trap for Cold Polar Molecules with a Charged Circular Wire

    Institute of Scientific and Technical Information of China (English)

    MA Hui; ZHOU Bei; LIAO Bin; YIN Jian-Ping

    2007-01-01

    We propose a novel scheme to trap cold polar molecules on the surface of an insulating substrate (i.e. a chip) by using an inhomogeneous electrostatic field, which is generated by the combination of a circular charged wire (a ring electrode) and a grounded metal plate. The spatial distributions of the electrostatic field from the above charged wire layout and its Stark potentials for CO molecules are calculated. Our study shows that when the voltage applied to the wire is U = 15 kV, a ring radius is R = 5 mm, the thickness of the insulating substrate is b = 5 mm, and a wire radius is r = 1 mm, the maximum efficient trapping potential (i.e., as equivalent temperature) for CO molecules is greater than 141.7mK, which is high enough to trap cold polar molecules with a temperature of 50 mK in the low-field-seeking states.

  10. Positronium formation at low temperatures: The role of trapped electrons

    DEFF Research Database (Denmark)

    Hirade, T.; Maurer, F.H.J.; Eldrup, Morten Mostgaard

    2000-01-01

    Measurements have been carried out of electron spin densities (by electron spin resonance technique) and positronium (Ps) formation probability as functions of Co-60 gamma-irradiation dose in poly(methyl methacrylate) and linear poly(ethylene) at 77 K. We observe a linear relationship between...... the enhancement of the Ps formation and the density of trapped electrons in both polymers. This clear correlation strongly supports the previous suggestion by the authors that the increase in Ps formation with time (that has been observed at low temperatures for a number of polymers) can be explained...

  11. Dust traps as planetary birthsites: basics and vortex formation

    CERN Document Server

    Owen, James E

    2016-01-01

    We present a simple model for low-mass planet formation and subsequent evolution within "transition" discs. We demonstrate quantitatively that the predicted and observed structure of such discs are prime birthsites of planets. Planet formation is likely to proceed through pebble accretion, should a planetary embryo ($M\\gtrsim 10^{-4}\\,$M$_\\oplus$) form. Efficient pebble accretion is likely to be unavoidable in transition disc dust traps, as the size of the dust particles required for pebble accretion are those which are most efficiently trapped in the transition disc dust trap. Rapid pebble accretion within the dust trap gives rise, not only to low-mass planets, but to a large accretion luminosity. This accretion luminosity is sufficient to heat the disc outside the gravitational influence of the planet and makes the disc locally baroclinic, and a source of vorticity. Using numerical simulations we demonstrate that this source of vorticity can lead to the growth of a single large scale vortex in $\\sim 100$ or...

  12. Vortex formation by merging multiple trapped Bose-Einstein condensates

    Science.gov (United States)

    Weiler, Chad; Neely, Tyler; Scherer, David; Anderson, Brian

    2007-06-01

    We have experimentally studied the merging of three trapped Bose-Einstein condensates. We find that, depending on the rate of merging, the final single BEC may contain a single vortex core (for slow merging rates), or multiple cores (for fast merging rates). Similarly, a triple-well trap may initiate the formation of three isolated BECs, but if the barriers between the wells are weak enough, the condensates merge together during their growth; this process can also lead to the formation of vortices in the final BEC. We interpret both scenarios in terms of interference between the initial uncorrelated condensates with indeterminate relative phases. We will discuss the results and interpretation of this experiment (D.R. Scherer, C.N. Weiler, T.W. Neely, B.P. Anderson, cond-mat/0610187, to be published in Phys. Rev. Lett.).

  13. Optically induced conical intersections in traps for ultracold atoms and molecules.

    OpenAIRE

    Wallis, A.O.G.; Hutson, J.M.

    2011-01-01

    We show that conical intersections can be created in laboratory coordinates by dressing a parabolic trap for ultracold atoms or molecules with a combination of optical and static magnetic fields. The resulting ring trap can support single-particle states with half-integer rotational quantization and many-particle states with persistent flow. Two well-separated atomic or molecular states are brought into near-resonance by an optical field and tuned across each other with an inhomogeneous magne...

  14. Magneto-optical trapping forces for atoms and molecules with complex level structures

    CERN Document Server

    Tarbutt, M R

    2014-01-01

    Laser cooling and magneto-optical trapping of molecules typically involves multiple transitions driven by several laser frequencies. We analyze how magneto-optical trapping forces depend on the angular momenta, $F_l$ and $F_u$, and the g-factors, $g_l$ and $g_u$, of the lower and upper states. When $F_l > F_u$ the polarizations must be reversed relative to cases where $F_u \\ge F_l$. The correct choice of circular polarization depends on the sign of $g_{u}$ but not on the sign of $g_{l}$. If $g_{u}$ is zero there is no trapping force, and the trapping force is very weak whenever $g_u$ is small compared to $g_l$, which it usually is when the cooling transition is the $^{2}\\Sigma$ to $^{2}\\Pi_{1/2}$ transition of a molecule. For some molecules, mixing of the excited $^{2}\\Pi_{1/2}$ state with a nearby $^{2}\\Sigma$ excited state can greatly increase $g_u$, leading to stronger trapping forces. A strong trapping force can also be produced by rapidly and synchronously reversing both the magnetic field and the laser ...

  15. Dynamic Variation in Protein-Small Molecule Interaction Observed by Double-Nanohole Optical Trapping

    CERN Document Server

    Balushi, Ahmed Al

    2014-01-01

    The interaction of proteins with small molecules is fundamental to their function in living organisms and it is widely studied in drug development. Here we compare optical trapping dynamics of streptavidin and biotinylated streptavidin using a double nanohole optical trap in a metal film. Consistent and clearly distinct behavior is seen between the protein with and without the small molecule binding. The real-time dynamics at the single protein level are accessible with this technique, which also has advantages of not requiring tethering to a surface or the need for exogeneous markers.

  16. Formation of complex organic molecules in cold objects: the role of gas phase reactions

    OpenAIRE

    Balucani, Nadia; Ceccarelli, Cecilia; Taquet, Vianney

    2015-01-01

    While astrochemical models are successful in reproducing many of the observed interstellar species, they have been struggling to explain the observed abundances of complex organic molecules. Current models tend to privilege grain surface over gas phase chemistry in their formation. One key assumption of those models is that radicals trapped in the grain mantles gain mobility and react on lukewarm (>30 K) dust grains. Thus, the recent detections of methyl formate (MF) and dimethyl ether (DME) ...

  17. Measuring and manipulating the temperature of cold molecules trapped on a chip

    CERN Document Server

    Marx, Silvio; Sartakov, Boris G; Meijer, Gerard; Santambrogio, Gabriele

    2014-01-01

    We demonstrate the measurement and manipulation of the temperature of cold CO molecules in a microchip environment. Through the use of time-resolved spatial imaging, we are able to observe the phase-space distribution of the molecules, and hence deduce the corresponding temperature. We do this both by observing the expansion of the molecular ensemble in time and through the use of numerical trajectory simulations. Furthermore, we demonstrate the adiabatic cooling of the trapped molecular sample and discuss this process.

  18. Formation of Ultracold NaRb Feshbach Molecules

    CERN Document Server

    Wang, Fudong; Li, Xiaoke; Zhu, Bing; Chen, Jun; Wang, Dajun

    2015-01-01

    We report the creation of ultracold bosonic $^{23}$Na$^{87}$Rb Feshbach molecules via magneto-association. By ramping the magnetic field across an interspecies Feshbach resonance, at least 4000 molecules can be produced out of the near degenerate ultracold mixture. Fast loss due to inelastic atom-molecule collisions is observed, which limits the pure molecule number, after residual atoms removal, to 1700. The pure molecule sample can live for 21.8(8) ms in the optical trap, long enough for future molecular spectroscopy studies toward coherently transferring to the singlet ro-vibrational ground state, where these molecules are stable against chemical reaction and have a permanent electric dipole moment of 3.3 Debye. We have also measured the Feshbach molecule's binding energy near the Feshbach resonance by the oscillating magnetic field method and found these molecules have a large closed-channel fraction.

  19. P-selectin promotes neutrophil extracellular trap formation in mice.

    Science.gov (United States)

    Etulain, Julia; Martinod, Kimberly; Wong, Siu Ling; Cifuni, Stephen M; Schattner, Mirta; Wagner, Denisa D

    2015-07-01

    Neutrophil extracellular traps (NETs) can be released in the vasculature. In addition to trapping microbes, they promote inflammatory and thrombotic diseases. Considering that P-selectin induces prothrombotic and proinflammatory signaling, we studied the role of this selectin in NET formation. NET formation (NETosis) was induced by thrombin-activated platelets rosetting with neutrophils and was inhibited by anti-P-selectin aptamer or anti-P-selectin glycoprotein ligand-1 (PSGL-1) inhibitory antibody but was not induced by platelets from P-selectin(-/-) mice. Moreover, NETosis was also promoted by P-selectin-immunoglobulin fusion protein but not by control immunoglobulin. We isolated neutrophils from mice engineered to overproduce soluble P-selectin (P-selectin(ΔCT/ΔCT) mice). Although the levels of circulating DNA and nucleosomes (indicative of spontaneous NETosis) were normal in these mice, basal neutrophil histone citrullination and presence of P-selectin on circulating neutrophils were elevated. NET formation after stimulation with platelet activating factor, ionomycin, or phorbol 12-myristate 13-acetate was significantly enhanced, indicating that the P-selectin(ΔCT/ΔCT) neutrophils were primed for NETosis. In summary, P-selectin, cellular or soluble, through binding to PSGL-1, promotes NETosis, suggesting that this pathway is a potential therapeutic target for NET-related diseases.

  20. Quantum Wigner molecules in semiconductor quantum dots and cold-atom optical traps and their mathematical symmetries

    CERN Document Server

    Yannouleas, Constantine

    2016-01-01

    Strong repelling interactions between a few fermions or bosons confined in two-dimensional circular traps lead to particle localization and formation of quantum Wigner molecules (QWMs) possessing definite point-group space symmetries. These point-group symmetries are "hidden" (or emergent), namely they cannot be traced in the circular single-particle densities (SPDs) associated with the exact many-body wave functions, but they are manifested as characteristic signatures in the ro-vibrational spectra. An example, among many, are the few-body QWM states under a high magnetic field or at fast rotation, which are precursor states for the fractional quantum Hall effect. The hidden geometric symmetries can be directly revealed by using spin-resolved conditional probability distributions, which are extracted from configuration-interaction (CI), exact-diagonalization wave functions. The hidden symmetries can also be revealed in the CI SPDs by reducing the symmetry of the trap (from circular to elliptic to quasi-linea...

  1. Exploring strategies for the production of ultracold RbYb molecules in conservative traps

    Energy Technology Data Exchange (ETDEWEB)

    Bruni, Cristian

    2015-07-14

    Within the scope of this thesis, the production of ultracold molecules at a temperature of a few μK with various isotopes of rubidium (Rb) and ytterbium (Yb) was examined by means of photoassociation spectroscopy and magnetic Feshbach resonances in combined conservative traps. The long-term goal of this experiment is the production of ultracold RbYb molecules in the rovibronic ground state. It was possible to produce electronically excited {sup 87}Rb {sup 176}Yb molecules in a novel hybrid trap (HT) at a combined temperature of 1.7 μK by means of 1-photon photoassociation close to the Rb D1 line at 795 nm. This HT takes advantage of the different magnetic properties of Rb and Yb and allows for independent trapping and manipulation of the atomic species. It combines an Ioffe-Pritchard type magnetic trap for Rb and a near-resonant optical dipole trap for Yb. The excited molecular {sup 2}Π{sub 1/2} state could be characterized further extending previous works in a combined MOT and vibrational levels reaching binding energies up to E{sub b}=-h x 2.2 THz could be assigned by trap-loss spectroscopy. Almost every detected vibrational state consists of two resonances that could be assigned to the molecular analogue of the hyperfine structure of {sup 87}Rb. An important experimental observation is a decrease in hyperfine splitting with increasing binding energy of a vibrational level. For the deepest found vibrational state the hyperfine splitting amounts only 70 % of the atomic value (817 MHz) which emphasizes a gradual passage from weakly to tightly bound molecules. Furthermore, detailed attempts were undertaken to induce magnetic Feshbach resonances in {sup 85}Rb and different Yb isotopes, especially {sup 171}Yb in a crossed optical dipole trap at 1064 nm at temperatures of 10 μK. For this purpose, a homogeneous magnetic field was applied and scanned in small steps over the range of 495 G ∼ 640 G. Unfortunately, our efforts were without success. Additionally, well

  2. Developing Density of Laser-Cooled Neutral Atoms and Molecules in a Linear Magnetic Trap

    Science.gov (United States)

    Velasquez, Joe, III; Walstrom, Peter; di Rosa, Michael

    2013-05-01

    In this poster we show that neutral particle injection and accumulation using laser-induced spin flips may be used to form dense ensembles of ultracold magnetic particles, i.e., laser-cooled paramagnetic atoms and molecules. Particles are injected in a field-seeking state, are switched by optical pumping to a field-repelled state, and are stored in the minimum-B trap. The analogous process in high-energy charged-particle accumulator rings is charge-exchange injection using stripper foils. The trap is a linear array of sextupoles capped by solenoids. Particle-tracking calculations and design of our linear accumulator along with related experiments involving 7Li will be presented. We test these concepts first with atoms in preparation for later work with selected molecules. Finally, we present our preliminary results with CaH, our candidate molecule for laser cooling. This project is funded by the LDRD program of Los Alamos National Laboratory.

  3. Formation of ultracold NaRb Feshbach molecules

    Science.gov (United States)

    Wang, Fudong; He, Xiaodong; Li, Xiaoke; Zhu, Bing; Chen, Jun; Wang, Dajun

    2015-03-01

    We report the creation of ultracold bosonic 23Na87Rb Feshbach molecules via magneto-association. By ramping the magnetic field across an interspecies Feshbach resonance (FR), at least 4000 molecules can be produced out of the near degenerate ultracold mixture. Fast loss due to inelastic atom-molecule collisions is observed, which limits the pure molecule number, after residual atoms removal, to 1700. The pure molecule sample can live for 21.8(8) ms in the optical trap, long enough for future molecular spectroscopy studies toward coherently transferring to the singlet ro-vibrational ground state, where these molecules are stable against chemical reaction and have a permanent electric dipole moment of 3.3 Debye. We have also measured the Feshbach molecule’s binding energy near the FR by the oscillating magnetic field method and found these molecules have a large closed-channel fraction.

  4. The Laser Cooling and Magneto-Optical Trapping of the YO Molecule

    Science.gov (United States)

    Yeo, Mark

    Laser cooling and magneto-optical trapping of neutral atoms has revolutionized the field of atomic physics by providing an elegant and efficient method to produce cold dense samples of ultracold atoms. Molecules, with their strong anisotropic dipolar interaction promises to unlock even richer phenomenon. However, due to their additional vibrational and rotational degrees of freedom, laser cooling techniques have only been extended to a small set of diatomic molecules. In this thesis, we demonstrate the first magneto-optical trapping of a diatomic molecule using a quasi-cycling transition and an oscillating quadrupole magnetic field. The transverse temperature of a cryogenically produced YO beam was reduced from 25 mK to 10 mK via doppler cooling and further reduced to 2 mK with the addition of magneto-optical trapping forces. The optical cycling in YO is complicated by the presence of an intermediate electronic state, as decays through this state lead to optical pumping into dark rotational states. Thus, we also demonstrate the mixing of rotational states in the ground electronic state using microwave radiation. This technique greatly enhances optical cycling, leading to a factor of 4 increase in the YO beam fluorescence and is used in conjunction with a frequency modulated and chirped continuous wave laser to longitudinally slow the YO beam. We generate YO molecules below 10 m/s that are directly loadable into a three-dimensional magneto-optical trap. This mixing technique provides an alternative to maintaining rotational closure and should extend laser cooling to a larger set of molecules.

  5. Autophagy Primes Neutrophils for Neutrophil Extracellular Trap Formation during Sepsis.

    Science.gov (United States)

    Park, So Young; Shrestha, Sanjeeb; Youn, Young-Jin; Kim, Jun-Kyu; Kim, Shin-Yeong; Kim, Hyun Jung; Park, So-Hee; Ahn, Won-Gyun; Kim, Shin; Lee, Myung Goo; Jung, Ki-Suck; Park, Yong Bum; Mo, Eun-Kyung; Ko, Yousang; Lee, Suh-Young; Koh, Younsuck; Park, Myung Jae; Song, Dong-Keun; Hong, Chang-Won

    2017-09-01

    Neutrophils are key effectors in the host's immune response to sepsis. Excessive stimulation or dysregulated neutrophil functions are believed to be responsible for sepsis pathogenesis. However, the mechanisms regulating functional plasticity of neutrophils during sepsis have not been fully determined. We investigated the role of autophagy in neutrophil functions during sepsis in patients with community-acquired pneumonia. Neutrophils were isolated from patients with sepsis and stimulated with phorbol 12-myristate 13-acetate (PMA). The levels of reactive oxygen species generation, neutrophil extracellular trap (NET) formation, and granule release, and the autophagic status were evaluated. The effect of neutrophil autophagy augmentation was further evaluated in a mouse model of sepsis. Neutrophils isolated from patients who survived sepsis showed an increase in autophagy induction, and were primed for NET formation in response to subsequent PMA stimulation. In contrast, neutrophils isolated from patients who did not survive sepsis showed dysregulated autophagy and a decreased response to PMA stimulation. The induction of autophagy primed healthy neutrophils for NET formation and vice versa. In a mouse model of sepsis, the augmentation of autophagy improved survival via a NET-dependent mechanism. These results indicate that neutrophil autophagy primes neutrophils for increased NET formation, which is important for proper neutrophil effector functions during sepsis. Our study provides important insights into the role of autophagy in neutrophils during sepsis.

  6. Investigation of ultracold atoms and molecules in a dark magneto-optical trap

    Institute of Scientific and Technical Information of China (English)

    Wang Li-Rong; Ji Zhong-Hua; Yuan Jin-Peng; Yang Yan; Zhao Yan-Ting; Ma Jie; Xiao Lian-Tuan; Jia Suo-Tang

    2012-01-01

    In this paper,ultracold atoms and molecules in a dark magneto-optical trap (MOT) are studied via depumping the cesium cold atoms into the dark hyperfine ground state.The collision rate is reduced to 0.45 s-1 and the density of the atoms is increased to 5.6 × 1011 cm-3 when the fractional population of the atoms in the bright hyperfine ground state is as low as 0.15.The vibrational spectra of the ultracold cesium molecules are also studied in a standard MOT and in a dark MOT separately.The experimental results are analyzed by using the perturbative quantum approach.

  7. Spectroscopy, Manipulation and Trapping of Neutral Atoms, Molecules, and Other Particles Using Optical Nanofibers: A Review

    Science.gov (United States)

    Morrissey, Michael J.; Deasy, Kieran; Frawley, Mary; Kumar, Ravi; Prel, Eugen; Russell, Laura; Truong, Viet Giang; Chormaic, Síle Nic

    2013-01-01

    The use of tapered optical fibers, i.e., optical nanofibers, for spectroscopy and the detection of small numbers of particles, such as neutral atoms or molecules, has been gaining interest in recent years. In this review, we briefly introduce the optical nanofiber, its fabrication, and optical mode propagation within. We discuss recent progress on the integration of optical nanofibers into laser-cooled atom and vapor systems, paying particular attention to spectroscopy, cold atom cloud characterization, and optical trapping schemes. Next, a natural extension of this work to molecules is introduced. Finally, we consider several alternatives to optical nanofibers that display some advantages for specific applications. PMID:23945738

  8. Spectroscopy, Manipulation and Trapping of Neutral Atoms, Molecules, and Other Particles using Optical Nanofibers: A Review

    CERN Document Server

    Morrissey, Michael J; Frawley, Mary; Kumar, Ravi; Prel, Eugen; Russell, Laura; Truong, Viet Giang; Chormaic, Síle Nic

    2013-01-01

    The use of tapered optical fibers, i.e., optical nanofibers, for spectroscopy and the detection of small numbers of particles, such as neutral atoms or molecules, has been gaining ground in recent years. In this review, we briefly introduce the optical nanofiber, its fabrication and optical mode propagation within. We discuss recent progress on the integration of optical nanofibers into laser-cooled atom and vapor systems, paying particular attention to spectroscopy, cold atom cloud characterization and optical trapping schemes. Next, a natural extension on this work to molecules will be introduced. Finally, we consider several alternatives to optical nanofibers that display some advantages for particular applications.

  9. Spectroscopy, Manipulation and Trapping of Neutral Atoms, Molecules, and Other Particles Using Optical Nanofibers: A Review

    Directory of Open Access Journals (Sweden)

    Síle Nic Chormaic

    2013-08-01

    Full Text Available The use of tapered optical fibers, i.e., optical nanofibers, for spectroscopy and the detection of small numbers of particles, such as neutral atoms or molecules, has been gaining interest in recent years. In this review, we briefly introduce the optical nanofiber, its fabrication, and optical mode propagation within. We discuss recent progress on the integration of optical nanofibers into laser-cooled atom and vapor systems, paying particular attention to spectroscopy, cold atom cloud characterization, and optical trapping schemes. Next, a natural extension of this work to molecules is introduced. Finally, we consider several alternatives to optical nanofibers that display some advantages for specific applications.

  10. Deeply-trapped molecules in self-nanostructured gas-phase material

    CERN Document Server

    Alharbi, M; Debord, B; Gerome, F; Benabid, F

    2015-01-01

    Since the advent of atom laser-cooling, trapping or cooling natural molecules has been a long standing and challenging goal. Here, we demonstrate a method for laser-trapping molecules that is radically novel in its configuration, in its underlined physical dynamics and in its outcomes. It is based on self-optically spatially-nanostructured high pressure molecular hydrogen confined in hollow-core photonic-crystal-fibre. An accelerating molecular-lattice is formed by a periodic potential associated with Raman saturation except for a 1-dimentional array of nanometer wide and strongly-localizing sections. In these sections, molecules with a speed of as large as 1800 m/s are trapped, and stimulated Raman scattering in the Lamb-Dicke regime occurs to generate high power forward and backward-Stokes continuous-wave laser with sideband-resolved sub-Doppler emission spectrum. The spectrum exhibits a central line with a sub-recoil linewidth of as low as 14 kHz, more than 5 orders-of-magnitude narrower than in convention...

  11. Stark-potential evaporative cooling of polar molecules in a novel optical-access opened electrostatic trap

    Institute of Scientific and Technical Information of China (English)

    孙慧; 王振霞; 王琴; 李兴佳; 刘建平; 印建平

    2015-01-01

    We propose a novel optical-access opened electrostatic trap to study the Stark-potential evaporative cooling of polar molecules by using two charged disk electrodes with a central hole of radius r0=1.5 mm, and derive a set of new analytical equations to calculate the spatial distributions of the electrostatic field in the above charged-disk layout. Afterwards, we calculate the electric-field distributions of our electrostatic trap and the Stark potential for cold ND3 molecules, and analyze the dependences of both the electric field and the Stark potential on the geometric parameters of our charged-disk scheme, and find an optimal condition to form a desirable trap with the same trap depth in the x, y, and z directions. Also, we propose a desirable scheme to realize an efficient loading of cold polar molecules in the weak-field-seeking states, and investigate the dependences of the loading efficiency on both the initial forward velocity of the incident molecular beam and the loading time by Monte Carlo simulations. Our study shows that the maximal loading efficiency of our trap scheme can reach about 95%, and the corresponding temperature of the trapped cold molecules is about 28.8 mK. Finally, we study the Stark-potential evaporative cooling for cold polar molecules in our trap by the Monte Carlo method, and find that our simulated evaporative cooling results are consistent with our developed analytical model based on trapping-potential evaporative cooling.

  12. Direct Photoassociative Formation of Ultracold KRb Molecules in the Lowest Vibrational Levels of the Ground State

    CERN Document Server

    Banerjee, Jayita; Carollo, Ryan; Bellos, Michael; Eyler, Edward E; Gould, Phillip L; Stwalley, William C

    2012-01-01

    We report continuous direct photoassociative formation of ultracold KRb molecules in the lowest vibrational levels $(v"=0 -10)$ of the electronic ground state $(X ^1\\Sigma^+)$, starting from $^{39}$K and $^{85}$Rb atoms in a magneto-optical trap. The process exploits a newfound resonant coupling between the $2(1), v'=165$ and $4(1), v'=61$ levels, which exhibit an almost equal admixture of the uncoupled eigenstates. The production rate of the $X^1\\Sigma^+$ ($v"$=0) level is estimated to be $5\\times10^3$ molecules/sec.

  13. Controlled Formation and Vibrational Characterization of Large Solvated Ionic Clusters in Cryogenic Ion Traps

    Science.gov (United States)

    Garand, Etienne; Marsh, Brett; Voss, Jonathan; Duffy, Erin M.

    2016-06-01

    An experimental approach for the formation of solvated ionic clusters and their vibrational spectroscopy will be presented. This recently developed apparatus combines an electrospray ionization source, two temperature controlled cryogenic ion traps and a time-of-flight infrared photofragmentation spectrometer, to allow for a universal and controlled formation and characterization of solvent clusters around ionic core as well as product of ion-molecule reaction. Recent results on the spectroscopy of such solvated ions, will be presented and discussed. In particular, this talk will present the structural evolution of glycylglycine as a function of stepwise solvation, and show how the presence of just a few water can modify the geometry of this model peptide. I will also present results solvation of ion that do not form hydrogen bond or strongly interactions with the solvent.

  14. Interstellar molecules - Formation in solar nebulae

    Science.gov (United States)

    Anders, E.

    1973-01-01

    Herbig's (1970) hypothesis that solar nebulae might be the principal source of interstellar grains and molecules is investigated. The investigation includes the determination of physical and chemical conditions in the early solar system. The production of organic compounds in the solar nebula is studied, and the compounds in meteorites are compared with those obtained in Miller-Urey and Fischer-Tropsch-type (FTT) reactions, taking into consideration aliphatic hydrocarbons, aromatic hydrocarbons, purines, pyrimidines, amino acids, porphyrins, and aspects of carbon-isotope fractionation. It is found that FTT reactions account reasonably well for all well-established features of organic matter in meteorites investigated. The distribution of compounds produced by FTT reactions is compared with the distribution of interstellar molecules. Biological implications of the results are considered.

  15. Vitamin C: A Novel Regulator of Neutrophil Extracellular Trap Formation

    Directory of Open Access Journals (Sweden)

    Ramesh Natarajan

    2013-08-01

    Full Text Available Introduction: Neutrophil extracellular trap (NET formation was recently identified as a novel mechanism to kill pathogens. However, excessive NET formation in sepsis can injure host tissues. We have recently shown that parenteral vitamin C (VitC is protective in sepsis. Whether VitC alters NETosis is unknown. Methods: We used Gulo−/− mice as they lack the ability to synthesize VitC. Sepsis was induced by intraperitoneal infusion of a fecal stem solution (abdominal peritonitis, FIP. Some VitC deficient Gulo−/− mice received an infusion of ascorbic acid (AscA, 200 mg/kg 30 min after induction of FIP. NETosis was assessed histologically and by quantification for circulating free DNA (cf-DNA in serum. Autophagy, histone citrullination, endoplasmic reticulum (ER stress, NFκB activation and apoptosis were investigated in peritoneal PMNs. Results: Sepsis produced significant NETs in the lungs of VitC deficient Gulo−/− mice and increased circulating cf-DNA. This was attenuated in the VitC sufficient Gulo−/− mice and in VitC deficient Gulo−/− mice infused with AscA. Polymorphonuclear neutrophils (PMNs from VitC deficient Gulo−/− mice demonstrated increased activation of ER stress, autophagy, histone citrullination, and NFκB activation, while apoptosis was inhibited. VitC also significantly attenuated PMA induced NETosis in PMNs from healthy human volunteers.

  16. Sub-diffraction Position Determination with Four Laser Diodes for Tracking/Trapping a Single Molecule

    Science.gov (United States)

    Germann, James A.; Canfield, Brian K.; King, Jason K.; Davis, Lloyd M.

    2013-03-01

    Prolonged observation of single biological molecules by overcoming diffusion can reveal interesting new properties. Observation times may be increased by physically confining a particle, but this often leads to interactions that affect molecular properties. Another way of increasing observation time is to trap a single molecule in solution three-dimensionally. However, optimal trapping of single particles relies on rapid determination of particle position for feedback to counteract Brownian diffusion. In our experiment, a tetrahedral region with foci located at the vertices is created by combining four modulated 635 nm laser diodes with three beam splitters. Fluorescence is measured with a single-photon avalanche diode and separated into bins corresponding to each excitation focus. A maximum-likelihood estimation algorithm is used to determine particle position with sub-diffraction precision in real time. To test the tracking capability of the four-focus setup, fluorescently labeled latex beads were tracked in an aqueous glycerol solution. Two setups, a piezoelectric stage and a three-dimensional electrokinetic trap, are being implemented to maintain a single fluorescent latex bead in the middle of the tetrahedral region.

  17. Coherent molecule formation in anharmonic potentials near confinement-induced resonances.

    Science.gov (United States)

    Sala, S; Zürn, G; Lompe, T; Wenz, A N; Murmann, S; Serwane, F; Jochim, S; Saenz, A

    2013-05-17

    We perform a theoretical and experimental study of a system of two ultracold atoms with tunable interaction in an elongated trapping potential. We show that the coupling of center-of-mass and relative motion due to an anharmonicity of the trapping potential leads to a coherent coupling of a state of an unbound atom pair and a molecule with a center of mass excitation. By performing the experiment with exactly two particles we exclude three-body losses and can therefore directly observe coherent molecule formation. We find quantitative agreement between our theory of inelastic confinement-induced resonances and the experimental results. This shows that the effects of center-of-mass to relative-motion coupling can have a significant impact on the physics of quantum systems near center-of-mass to relative-motion coupling resonances.

  18. Simultaneous magneto-optical trapping of lithium and ytterbium atoms towards production of ultracold polar molecules

    CERN Document Server

    Okano, M; Muramatsu, M; Doi, K; Uetake, S; Takasu, Y; Takahashi, Y

    2009-01-01

    We have successfully implemented the first simultaneous magneto-optical trapping (MOT) of lithium ($^6$Li) and ytterbium ($^{174}$Yb) atoms, towards production of ultracold polar molecules of LiYb. For this purpose, we developed the dual atomic oven which contains both atomic species as an atom source and successfully observed the spectra of the Li and Yb atoms in the atomic beams from the dual atomic oven. We constructed the vacuum chamber including the glass cell with the windows made of zinc selenium (ZnSe) for the CO$_2$ lasers, which are the useful light sources of optical trapping for evaporative and sympathetic cooling. Typical atom numbers and temperatures in the compressed MOT are 7$\\times10^3$ atoms, 640 $\\mu$K for $^6$Li, 7$\\times10^4$ atoms and 60 $\\mu$K for $^{174}$Yb, respectively.

  19. Formation of Prebiotic Molecules in Interstellar and Cometary Ices

    Science.gov (United States)

    Bernstein, Max P.; Sandford, Scott A.; Allamandola, Louis J.; Dworkin, Jason; Gilette, J. Seb; Zare, Richard N.; DeVincenzi, D. (Technical Monitor)

    2000-01-01

    We report here on our lab studies of ice photochemistry of large organic molecules under cometary conditions. We focus on polycyclic aromatic hydrocarbons (PAHs), their photoproducts, and their similarities to molecules seen in living systems today. We note that these kinds of compounds are seen in meteorites and we propose an explanation for both their formation and their observed deuterium enrichments.

  20. Effect of vesicle traps on traffic jam formation in fast axonal transport.

    Science.gov (United States)

    Kuznetsov, A V

    2010-08-01

    The purpose of this paper is to develop a model for simulation of the formation of organelle traps in fast axonal transport. Such traps may form in the regions of microtubule polar mismatching. Depending on the orientation of microtubules pointing toward the trap region, these traps can accumulate either plus-end or minus-end oriented vesicles. The model predicts that the maximum concentrations of organelles occur at the boundaries of the trap regions; the overall concentration of organelles in the axon with traps is greatly increased compared to that in a healthy axon, which is expected to contribute to mechanical damages of the axon. The organelle traps induce hindrance to organelle transport down the axon; the total organelle flux down the axon with traps is found to be significantly reduced compared to that in a healthy axon.

  1. Slowing techniques for loading a magneto-optical trap of CaF molecules

    Science.gov (United States)

    Truppe, Stefan; Fitch, Noah; Williams, Hannah; Hambach, Moritz; Sauer, Ben; Hinds, Ed; Tarbutt, Mike

    2016-05-01

    Ultracold molecules in a magneto-optical trap (MOT) are useful for testing fundamental physics and studying strongly-interacting quantum systems. With experiments starting with a relatively fast (50-200 m/s) buffer-gas beam, a primary concern is decelerating molecules to below the MOT capture velocity, typically 10 m/s. Direct laser cooling, where the molecules are slowed via momentum transfer from a chirped counter-propagating narrowband laser, is a natural choice. However, chirping the cooling and repump lasers requires precise control of multiple laser frequencies simultaneously. Another approach, called ``white-light slowing'' uses a broadband laser such that all fast molecules in the beam are decelerated. By addressing numerous velocities no chirping is needed. Unfortunately, both techniques have significant losses as molecules are transversely heated during the optical cycling. Ideally, the slowing method would provide simultaneous deceleration and transverse guiding. A newly developed technique, called Zeeman-Sisyphus deceleration, is potentially capable of both. Using permanent magnets and optical pumping, the number of scattered photons is reduced, lessening transverse heating and relaxing the repump requirements. Here we compare all three options for CaF.

  2. Integrating Optical Tweezers, DNA Tightropes, and Single-Molecule Fluorescence Imaging: Pitfalls and Traps.

    Science.gov (United States)

    Wang, J; Barnett, J T; Pollard, M R; Kad, N M

    2017-01-01

    Fluorescence imaging is one of the cornerstone techniques for understanding how single molecules search for their targets on DNA. By tagging individual proteins, it is possible to track their position with high accuracy. However, to understand how proteins search for targets, it is necessary to elongate the DNA to avoid protein localization ambiguities. Such structures known as "DNA tightropes" are tremendously powerful for imaging target location; however, they lack information about how force and load affect protein behavior. The use of optically trapped microstructures offers the means to apply and measure force effects. Here we describe a system that we recently developed to enable individual proteins to be directly manipulated on DNA tightropes. Proteins bound to DNA can be conjugated with Qdot fluorophores for visualization and also directly manipulated by an optically trapped, manufactured microstructure. Together this offers a new approach to understanding the physical environment of molecules, and the combination with DNA tightropes presents opportunities to study complex biological phenomena. © 2017 Elsevier Inc. All rights reserved.

  3. Formation of Complex Molecules via radiative association reactions

    Science.gov (United States)

    Acharyya, Kinsuk; Herbst, Eric

    2016-07-01

    The detection of increasing numbers of complex organic molecules in the various phases of star formation plays a key role since they follow the same chemical rules of carbon-based chemistry that are observed in our planet Earth. Many of these molecules are believed to be formed on the surfaces of grains, and can then be released to the gas phase when these grains are heated. This is evident when we observe a rich chemistry in hot core regions. However, recently complex organic molecules have also been observed in cold clouds. Therefore, it is necessary to re-examine various pathways for the formation of these molecules in the gas phase. In this presentation, I will discuss role of radiative association reactions in the formation of complex molecules in the gas phase and at low temperature. We will compare abundance of assorted molecules with and without new radiative association reactions and will show that the abundance of a few complex molecules such as HCOOCH3, CH3OCH3 etc. can go up due to introduction of these reactions, which can help to explain their observed abundances.

  4. Formation of Kinetically Trapped Nanoscopic Unilamellar Vesicles from Metastable Nanodiscs

    Energy Technology Data Exchange (ETDEWEB)

    Nieh, Mu-Ping [University of Connecticut, Storrs; Dolinar, Paul [University of Ottawa, Canada; Kucerka, Norbert [Canadian Neutron Beam Centre and Comelius University (Slovakia); Kline, Steven R. [National Institute of Standards and Technology (NIST), Gaithersburg, MD; Debeer-Schmitt, Lisa M [ORNL; Littrell, Ken [ORNL; Katsaras, John [ORNL

    2011-01-01

    Zwitterionic long-chain lipids (e.g., dimyristoyl phosphatidylcholine, DMPC) spontaneously form onion-like, thermodynamically stable structures in aqueous solutions (commonly known as multilamellar vesicles, or MLVs). It has also been reported that the addition of zwitterionic short-chain (i.e., dihexanoyl phosphatidylcholine, DHPC) and charged long-chain (i.e., dimyristoyl phosphatidylglycerol, DMPG) lipids to zwitterionic long-chain lipid solutions results in the formation of unilamellar vesicles (ULVs). Here, we report a kinetic study on lipid mixtures composed of DMPC, DHPC, and DMPG. Two membrane charge densities (i.e., [DMPG]/[DMPC] = 0.01 and 0.001) and two solution salinities (i.e., [NaCl] = 0 and 0.2 M) are investigated. Upon dilution of the high-concentration samples at 50 C, thermodynamically stable MLVs are formed, in the case of both weakly charged and high salinity solution mixtures, implying that the electrostatic interactions between bilayers are insufficient to cause MLVs to unbind. Importantly, in the case of these samples small angle neutron scattering (SANS) data show that, initially, nanodiscs (also known as bicelles) or bilayered ribbons form at low temperatures (i.e., 10 C), but transform into uniform size, nanoscopic ULVs after incubation at 10 C for 20 h, indicating that the nanodisc is a metastable structure. The instability of nanodiscs may be attributed to low membrane rigidity due to a reduced charge density and high salinity. Moreover, the uniform-sized ULVs persist even after being heated to 50 C, where thermodynamically stable MLVs are observed. This result clearly demonstrates that these ULVs are kinetically trapped, and that the mechanical properties (e.g., bending rigidity) of 10 C nanodiscs favor the formation of nanoscopic ULVs over that of MLVs. From a practical point of view, this method of forming uniform-sized ULVs may lend itself to their mass production, thus making them economically feasible for medical applications that

  5. Trajectory Dynamics of Gas Molecules and Galaxy Formation

    CERN Document Server

    Llanos, Pedro J; Hintz, Gerald R

    2013-01-01

    The probability distribution of the velocity of gas molecules in a closed container is described by the kinetic theory of gases. When molecules collide or impact the walls of a container, they exchange energy and momentum in accordance with Newton's laws of motion. Between collisions, the trajectory of individual molecules is a straight line, neglecting gravity. During the formation of a galaxy, the stars are constrained to a region of space and exchange energy and momentum in a manner similar to molecules. In this paper, an exact model of an ideal gas is derived and analyzed to determine the probability distribution of the molecular velocities, which are then compared with the probability distribution of velocities associated with stars during galaxy formation.

  6. Molecules as Drives and Witnesses of Star Formation

    Science.gov (United States)

    Shustov, B. M.

    2017-07-01

    The progress in understanding the role of molecules in star formation is discussed. After very brief introduction which we note in that no star formation would be possible without molecules at the dawn of the Universe and that molecules are important drivers and witnesses of star formation in the current epoch, we consider observational technologies and emphasize the prospective role of UV observations. Special attention is paid to possibilities of UV spectroscopy with coming space observatory Spektr-UF (World Space Observatory - Ultraviolet; WSO-UV). Only one example (observations of CO-dark clouds) from vast scientific program of the WSO-UV is mentioned. Also very briefly disclosed is a model approach to study complex evolution of very young (prestellar) object focusing on chemical (molecular) evolution.

  7. Efficient Formation of Ultracold Molecules with Chirped Nanosecond Pulses

    CERN Document Server

    Carini, J L; Kosloff, R; Gould, P L

    2015-01-01

    We describe experiments and associated quantum simulations involving the production of ultracold $^{87}$Rb$_{2}$ molecules with nanosecond pulses of frequency-chirped light. With appropriate chirp parameters, the formation is dominated by coherent processes. For a positive chirp, excited molecules are produced by photoassociation early in the chirp, then transferred into high vibrational levels of the lowest triplet state by stimulated emission later in the chirp. Generally good agreement is seen between the data and the simulations. Shaping of the chirp can lead to a significant enhancement of the formation rate. Further improvements using higher intensities and different intermediate states are predicted.

  8. Stable metal-organic frameworks containing single-molecule traps for enzyme encapsulation

    Science.gov (United States)

    Feng, Dawei; Liu, Tian-Fu; Su, Jie; Bosch, Mathieu; Wei, Zhangwen; Wan, Wei; Yuan, Daqiang; Chen, Ying-Pin; Wang, Xuan; Wang, Kecheng; Lian, Xizhen; Gu, Zhi-Yuan; Park, Jihye; Zou, Xiaodong; Zhou, Hong-Cai

    2015-01-01

    Enzymatic catalytic processes possess great potential in chemical manufacturing, including pharmaceuticals, fuel production and food processing. However, the engineering of enzymes is severely hampered due to their low operational stability and difficulty of reuse. Here, we develop a series of stable metal-organic frameworks with rationally designed ultra-large mesoporous cages as single-molecule traps (SMTs) for enzyme encapsulation. With a high concentration of mesoporous cages as SMTs, PCN-333(Al) encapsulates three enzymes with record-high loadings and recyclability. Immobilized enzymes that most likely undergo single-enzyme encapsulation (SEE) show smaller Km than free enzymes while maintaining comparable catalytic efficiency. Under harsh conditions, the enzyme in SEE exhibits better performance than free enzyme, showing the effectiveness of SEE in preventing enzyme aggregation or denaturation. With extraordinarily large pore size and excellent chemical stability, PCN-333 may be of interest not only for enzyme encapsulation, but also for entrapment of other nanoscaled functional moieties.

  9. High-Resolution "Fleezers": Dual-Trap Optical Tweezers Combined with Single-Molecule Fluorescence Detection.

    Science.gov (United States)

    Whitley, Kevin D; Comstock, Matthew J; Chemla, Yann R

    2017-01-01

    Recent advances in optical tweezers have greatly expanded their measurement capabilities. A new generation of hybrid instrument that combines nanomechanical manipulation with fluorescence detection-fluorescence optical tweezers, or "fleezers"-is providing a powerful approach to study complex macromolecular dynamics. Here, we describe a combined high-resolution optical trap/confocal fluorescence microscope that can simultaneously detect sub-nanometer displacements, sub-piconewton forces, and single-molecule fluorescence signals. The primary technical challenge to these hybrid instruments is how to combine both measurement modalities without sacrificing the sensitivity of either one. We present general design principles to overcome this challenge and provide detailed, step-by-step instructions to implement them in the construction and alignment of the instrument. Lastly, we present a set of protocols to perform a simple, proof-of-principle experiment that highlights the instrument capabilities.

  10. State-selected ion-molecule reactions with Coulomb-crystallized molecular ions in traps

    CERN Document Server

    Tong, Xin; Reyes, Juvenal Yosa; Germann, Matthias; Meuwly, Markus; Willitsch, Stefan

    2012-01-01

    State-selected Coulomb-crystallized molecular ions were employed for the first time in ion-molecule reaction studies using the prototypical charge-transfer process $\\mathrm{N_2^++N_2\\rightarrow N_2+N_2^+}$ as an example. By preparing the reactant ions in a well-defined rovibrational state and localizing them in space by sympathetic cooling to millikelvin temperatures in an ion trap, state- and energy-controlled reaction experiments with sensitivities on the level of single ions were performed. The experimental results were interpreted with quasi-classical trajectory simulations on a six-dimensional potential-energy surface which provided detailed insight into translation-to-rotation energy transfer occurring during charge transfer between N$_2$ and N$_2^+$.

  11. Ejection of Coulomb Crystals from a Linear Paul Ion Trap for Ion-Molecule Reaction Studies.

    Science.gov (United States)

    Meyer, K A E; Pollum, L L; Petralia, L S; Tauschinsky, A; Rennick, C J; Softley, T P; Heazlewood, B R

    2015-12-17

    Coulomb crystals are being increasingly employed as a highly localized source of cold ions for the study of ion-molecule chemical reactions. To extend the scope of reactions that can be studied in Coulomb crystals-from simple reactions involving laser-cooled atomic ions, to more complex systems where molecular reactants give rise to multiple product channels-sensitive product detection methodologies are required. The use of a digital ion trap (DIT) and a new damped cosine trap (DCT) are described, which facilitate the ejection of Coulomb-crystallized ions onto an external detector for the recording of time-of-flight (TOF) mass spectra. This enables the examination of reaction dynamics and kinetics between Coulomb-crystallized ions and neutral molecules: ionic products are typically cotrapped, thus ejecting the crystal onto an external detector reveals the masses, identities, and quantities of all ionic species at a selected point in the reaction. Two reaction systems are examined: the reaction of Ca(+) with deuterated isotopologues of water, and the charge exchange between cotrapped Xe(+) with deuterated isotopologues of ammonia. These reactions are examples of two distinct types of experiment, the first involving direct reaction of the laser-cooled ions, and the second involving reaction of sympathetically-cooled heavy ions to form a mixture of light product ions. Extensive simulations are conducted to interpret experimental results and calculate optimal operating parameters, facilitating a comparison between the DIT and DCT approaches. The simulations also demonstrate a correlation between crystal shape and image shape on the detector, suggesting a possible means for determining crystal geometry for nonfluorescing ions.

  12. Formation and dissociation of dust molecules in dusty plasma

    Science.gov (United States)

    Yan, Jia; Feng, Fan; Liu, Fucheng; Dong, Lifang; He, Yafeng

    2016-09-01

    Dust molecules are observed in a dusty plasma experiment. By using measurements with high spatial resolution, the formation and dissociation of the dust molecules are studied. The ion cloud in the wake of an upper dust grain attracts the lower dust grain nearby. When the interparticle distance between the upper dust grain and the lower one is less than a critical value, the two dust grains would form a dust molecule. The upper dust grain always leads the lower one as they travel. When the interparticle distance between them is larger than the critical value, the dust molecule would dissociate. Project supported by the National Natural Science Foundation of China (Grant Nos. 11205044 and 11405042), the Natural Science Foundation of Hebei Province, China (Grant Nos. A2011201006 and A2012201015), the Research Foundation of Education Bureau of Hebei Province, China (Grant No. Y2012009), the Program for Young Principal Investigators of Hebei Province, China, and the Midwest Universities Comprehensive Strength Promotion Project, China.

  13. The Role of Reactive Oxygen Species (ROS in the Formation of Extracellular Traps (ETs in Humans

    Directory of Open Access Journals (Sweden)

    Walter Stoiber

    2015-05-01

    Full Text Available Extracellular traps (ETs are reticulate structures of extracellular DNA associated with antimicrobial molecules. Their formation by phagocytes (mainly by neutrophils: NETs has been identified as an essential element of vertebrate innate immune defense. However, as ETs are also toxic to host cells and potent triggers of autoimmunity, their role between pathogen defense and human pathogenesis is ambiguous, and they contribute to a variety of acute and chronic inflammatory diseases. Since the discovery of ET formation (ETosis a decade ago, evidence has accumulated that most reaction cascades leading to ET release involve ROS. An important new facet was added when it became apparent that ETosis might be directly linked to, or be a variant of, the autophagy cell death pathway. The present review analyzes the evidence to date on the interplay between ROS, autophagy and ETosis, and highlights and discusses several further aspects of the ROS-ET relationship that are incompletely understood. These aspects include the role of NADPH oxidase-derived ROS, the molecular requirements of NADPH oxidase-dependent ETosis, the roles of NADPH oxidase subtypes, extracellular ROS and of ROS from sources other than NADPH oxidase, and the present evidence for ROS-independent ETosis. We conclude that ROS interact with ETosis in a multidimensional manner, with influence on whether ETosis shows beneficial or detrimental effects.

  14. Molecule formation in fast neutral winds from protostars

    Science.gov (United States)

    Glassgold, A. E.; Mamon, G. A.; Huggins, P. J.

    1989-01-01

    A time-dependent chemical model is used to analyze the processes generating and destroying molecules in very high velocity winds from low-mass protostars. CO and SiO are found to be generated in significant quantities despite the persistence of H in atomic form, consistently with recent protostellar wind detections of CO and H I at velocities in excess of 100 km/sec. A moderate mass-loss rate, in conjunction with a temperature distribution that decreases rather rapidly with distance from the protostar, are the conditions for substantial molecule formation.

  15. Signal Inhibitory Receptor on Leukocytes-1 Limits the Formation of Neutrophil Extracellular Traps, but Preserves Intracellular Bacterial Killing

    NARCIS (Netherlands)

    Van Avondt, Kristof; van der Linden, Maarten; Naccache, Paul H; Egan, David A; Meyaard, Linde

    2016-01-01

    In response to microbial invasion, neutrophils release neutrophil extracellular traps (NETs) to trap and kill extracellular microbes. Alternatively, NET formation can result in tissue damage in inflammatory conditions and may perpetuate autoimmune disease. Intervention strategies that are aimed at m

  16. Enhancement of Ultracold Molecule Formation Using Shaped Nanosecond Frequency Chirps

    CERN Document Server

    Carini, J L; Kosloff, R; Gould, P L

    2016-01-01

    We demonstrate that judicious shaping of a nanosecond-time-scale frequency chirp can dramatically enhance the formation rate of ultracold $^{87}$Rb$_{2}$ molecules. Starting with ultracold $^{87}$Rb atoms, we apply pulses of frequency-chirped light to first photoassociate the atoms into excited molecules and then, later in the chirp, de-excite these molecules into a high vibrational level of the lowest triplet state, $a \\, ^{3}\\Sigma_{u}^{+}$. The enhancing chirp shape passes through the absorption and stimulated emission transitions relatively slowly, thus increasing their adiabaticity, but jumps quickly between them to minimize the effects of spontaneous emission. Comparisons with quantum simulations for various chirp shapes support this enhancement mechanism.

  17. Formation of oxide-trapped charges in 6H-SiC MOS structures

    Energy Technology Data Exchange (ETDEWEB)

    Yoshikawa, Masahito; Ohshima, Takeshi; Itoh, Hisayoshi; Nashiyama, Isamu [Japan Atomic Energy Research Inst., Takasaki, Gunma (Japan). Takasaki Radiation Chemistry Research Establishment; Okumura, Hajime; Yoshida, Sadafumi

    1997-03-01

    The silicon and the carbon faces of hexagonal silicon carbide (6H-SiC) substrates were oxidized pyrogenically at 1100degC, and the metal-oxide-semiconductor structures were formed on these faces. The MOS capacitors developed using the silicon and the carbon faces were irradiated with {sup 60}Co gamma-rays under argon atmosphere at room temperature. The bias voltages with the different polarity were applied to the gate electrode during irradiation to examine the formation mechanisms of the trapped charges in the oxides of these MOS capacitors. The amount of the trapped charges in the oxide were obtained from capacitance pulse voltage characteristics. The generation of the trapped charges are affects with not only the absorbed dose but also the bias polarity applied to the gate electrodes during irradiation. The formation mechanisms of the trapped charges in the oxides were estimated in conjunction with the surface orientation of 6H-SiC substrates. (author)

  18. Synergism of Saturn, Enceladus and Titan and Formation of HCNO Prebiotic Molecules

    Science.gov (United States)

    Sittler, Edward C.; Cooper, John F.

    2011-01-01

    Saturn as a system has two very exotic moons Titan and Enceladus. Titan, taking in energy from Saturn's magnetosphere, solar UV irradiation, and cosmic rays, can make HCN based molecules as discussed in earlier paper by Raulin and Owen. Space radiation effects at both moons, and as coupled by the Saturn magnetosphere, could cause an unexpected series of events potentially leading to prebiotic chemical evolution at Titan with HCNO from magnetospheric oxygen as the new ingredient. The "Old Faithful" model suggests that Enceladus, highly irradiated by Saturn magnetospheric electrons and thus having a source of chemical energy from radiolytic gas production, has episodic ejections of water vapor, carbon dioxide, and various hydrocarbons into Saturn's magnetosphere. The hydrocarbons do not survive transport through the plasma environment, but oxygen ions from Enceladus water molecules become the dominant ion species in the outer magnetosphere. At Titan, Cassini discovered that 1) keV oxygen ions, evidently from Enceladus, are bombarding Titan's upper atmosphere and 2) heavy positive and negative ions exist in significant abundances within Titan's upper atmosphere. Initial models of heavy ion formation in Titan's upper atmosphere invoked polymerization of aromatics such as benzenes and their radicals to make polycyclic aromatic hydrocarbons (PAH) , while a more recent model by Sittler et al., has raised the possibility of carbon chains forming from the polymerization of acetylene and its radicals to make fullerenes. Laboratory measurements indicate that fullerenes, which are hollow carbon shells, can trap keV oxygen ions. Clustering of the fullerenes with aerosol mixtures from PAHs and the dominant nitrogen molecules could form larger aerosols enriched in trapped oxygen. Aerosol precipitation could then convey these chemically complex structures deeper into the atmosphere and to the moon surface. Ionizing solar UV, magnetospheric electron, and galactic cosmic ray

  19. Effects of abscisic acid and nitric oxide on trap formation and trapping of nematodes by the fungus Drechslerella stenobrocha AS6.1.

    Science.gov (United States)

    Xu, Ling-Ling; Lai, Yi-Ling; Wang, Lin; Liu, Xing-Zhong

    2011-02-01

    The in vitro effects of abscisic acid (ABA) and nitric oxide (NO) on the nematode-trapping fungus Drechslerella stenobrocha AS6.1 were examined. The average number of traps (constricting rings) per colony and the percentage of nematodes (Caenorhabditis elegans) trapped were greatly increased by addition of ABA but greatly suppressed by addition of sodium nitroprusside (SNP, an NO donor) to corn meal agar. The suppressive effect of SNP was not negated by addition of an NO synthase competitive inhibitor (l-naphthylacetic acid, L-NNA) or an NO-specific scavenger [2-(4-carboxyphenyl)-4,4, 5,5-tetramethylimidazoline-1-oxyl-3-oxide, cPTIO]. When added without SNP, however, L-NNA and cPTIO caused moderate increases in trap number and trapping. The results indicate that the trap formation and nematode-trapping ability of D. stenobrocha were enhanced by ABA but decreased by exogenous NO.

  20. The selective estrogen receptor modulator raloxifene inhibits neutrophil extracellular trap formation.

    Directory of Open Access Journals (Sweden)

    Roxana Flores

    2016-12-01

    Full Text Available Raloxifene is a selective estrogen receptor modulator typically prescribed for the prevention/treatment of osteoporosis in postmenopausal women. Although raloxifene is known to have anti-inflammatory properties, its effect on human neutrophils, the primary phagocytic leukocytes of the immune system, remain poorly understood. Here, through a screen of pharmacologically active small molecules, we find that raloxifene prevents neutrophil cell death in response to the classical activator phorbol 12-myristate 13-acetate (PMA, a compound known to induce formation of DNA-based neutrophil extracellular traps (NETs. Inhibition of PMA-induced NET production by raloxifene was confirmed using quantitative and imaging-based assays. Human neutrophils from both male and female donors express the nuclear estrogen receptors ERα and ERβ, known targets of raloxifene. Like raloxifene, selective antagonists of these receptors inhibit PMA-induced NET production. Furthermore, raloxifene inhibited PMA-induced ERK phosphorylation but not reactive oxygen species (ROS production, pathways known to be key modulators of NET production. Finally, we found that raloxifene inhibited PMA-induced, NET-based killing of the leading human bacterial pathogen, methicillin-resistant Staphylococcus aureus (MRSA. Our results reveal that raloxifene is a potent modulator of neutrophil function and NET production.

  1. Formation of simple organic molecules in inner T Tauri disks

    CERN Document Server

    Agundez, Marcelino; Goicoechea, Javier R

    2008-01-01

    We present time dependent chemical models for a dense and warm O-rich gas exposed to a strong far ultraviolet field aiming at exploring the formation of simple organic molecules in the inner regions of protoplanetary disks around T Tauri stars. An up-to-date chemical network is used to compute the evolution of molecular abundances. Reactions of H2 with small organic radicals such as C2 and C2H, which are not included in current astrochemical databases, overcome their moderate activation energies at warm temperatures and become very important for the gas phase synthesis of C-bearing molecules. The photodissociation of CO and release of C triggers the formation of simple organic species such as C2H2, HCN, and CH4. In timescales between 1 and 10,000 years, depending on the density and FUV field, a steady state is reached in the model in which molecules are continuously photodissociated but also formed, mainly through gas phase chemical reactions involving H2. The application of the model to the upper layers of i...

  2. One- and Two-Dimensional Arrays of Double-Well Optical Traps for Cold Atoms or Molecules

    Institute of Scientific and Technical Information of China (English)

    JI Xian-Ming; YIN Jian-Ping

    2004-01-01

    @@ We propose a novel scheme to form one- and two-dimensional arrays of double-well optical dipole traps for cold atoms (or molecules) by using an optical system composed of a binary π-phase grating and a lens illuminated by a plane light wave, and study the relationship between the maximum intensity Imax of each optical well (or the maximum trapping potential Umax for 85Rb atoms) and the relative apertureβ (= a/f) of the lens. We also calculate the intensity gradients of each optical well and their curvatures, and estimate the spontaneous photon-scattering rate of trapped atom in each well, including Rayleigh and Raman scattering rates. Our study shows that the proposed 1D and 2D arrays of double-well traps can be used to prepare 1D and 2D novel optical lattices with cold atoms (or molecules), or form an all-optically integrated atom optical chip, or even to realize an array of all-optical double-well atomic (or molecular) Bose-Einstein condensates by optical-potential evaporative cooling, and so on.

  3. Trapped Hydronium Radical Produced by Ultraviolet Excitation of Substituted Aromatic Molecule.

    Science.gov (United States)

    Hernández, Federico J; Capello, Marcela C; Naito, Ayumi; Manita, Shun; Tsukada, Kohei; Miyazaki, Mitsuhiko; Fujii, Masaaki; Broquier, Michel; Gregoire, Gilles; Dedonder-Lardeux, Claude; Jouvet, Christophe; Pino, Gustavo A

    2015-12-24

    The gas phase structure and excited state dynamics of o-aminophenol-H2O complex have been investigated using REMPI, IR-UV hole-burning spectroscopy, and pump-probe experiments with picoseconds laser pulses. The IR-UV spectroscopy indicates that the isomer responsible for the excitation spectrum corresponds to an orientation of the OH bond away from the NH2 group. The water molecule acts as H-bond acceptor of the OH group of the chromophore. The complexation of o-aminophenol with one water molecule induced an enhancement in the excited state lifetime on the band origin. The variation of the excited state lifetime of the complex with the excess energy from 1.4 ± 0.1 ns for the 0-0 band to 0.24 ± 0.3 ns for the band at 0-0 + 120 cm(-1) is very similar to the variation observed in the phenol-NH3 system. This experimental result suggests that the excited state hydrogen transfer reaction is the dominant channel for the non radiative pathway. Indeed, excited state ab initio calculations demonstrate that H transfer leading to the formation of the H3O(•) radical within the complex is the main reactive pathway.

  4. Molecule Targeting Glucosyltransferase Inhibits Streptococcus mutans Biofilm Formation and Virulence.

    Science.gov (United States)

    Ren, Zhi; Cui, Tao; Zeng, Jumei; Chen, Lulu; Zhang, Wenling; Xu, Xin; Cheng, Lei; Li, Mingyun; Li, Jiyao; Zhou, Xuedong; Li, Yuqing

    2015-10-19

    Dental plaque biofilms are responsible for numerous chronic oral infections and cause a severe health burden. Many of these infections cannot be eliminated, as the bacteria in the biofilms are resistant to the host's immune defenses and antibiotics. There is a critical need to develop new strategies to control biofilm-based infections. Biofilm formation in Streptococcus mutans is promoted by major virulence factors known as glucosyltransferases (Gtfs), which synthesize adhesive extracellular polysaccharides (EPS). The current study was designed to identify novel molecules that target Gtfs, thereby inhibiting S. mutans biofilm formation and having the potential to prevent dental caries. Structure-based virtual screening of approximately 150,000 commercially available compounds against the crystal structure of the glucosyltransferase domain of the GtfC protein from S. mutans resulted in the identification of a quinoxaline derivative, 2-(4-methoxyphenyl)-N-(3-{[2-(4-methoxyphenyl)ethyl]imino}-1,4-dihydro-2-quinoxalinylidene)ethanamine, as a potential Gtf inhibitor. In vitro assays showed that the compound was capable of inhibiting EPS synthesis and biofilm formation in S. mutans by selectively antagonizing Gtfs instead of by killing the bacteria directly. Moreover, the in vivo anti-caries efficacy of the compound was evaluated in a rat model. We found that the compound significantly reduced the incidence and severity of smooth and sulcal-surface caries in vivo with a concomitant reduction in the percentage of S. mutans in the animals' dental plaque (P biofilm formation and the cariogenicity of S. mutans.

  5. Synergism of Saturn, Enceladus and Titan and Formation of HCNO Exobiological Molecules

    Science.gov (United States)

    Sittler, Edward C., Jr.; Cooper, John F.

    2010-01-01

    Saturn as a system has two very exotic moons Titan and Enceladus. Titan with energy input from Saturn's magnetosphere, solar UV irradiation, and cosmic rays can make HCN based molecules as discussed in earlier paper by [1]. Space radiation effects at both moons, and as coupled by the Saturn magnetosphere could cause an unexpected series of events leading to the evolution of biological models at Titan composed of HCNO with oxygen as the new ingredient. The "Old Faithful" model by [2] suggests that Enceladus, highly irradiated by Saturn magnetospheric electrons, has episodic ejections of water vapor driven by radiolytic oxidation gas products into Saturn's magnetosphere. At Titan Cassini discovered 1) that keV oxygen ions, evidently from Enceladus, are bombarding Titan's upper atmosphere [3] and 2) the discovery of heavy positive and negative ions within Titan's upper atmosphere [4]. Initial models of heavy ion formation in Titan's upper atmosphere invoked polymerization of aromatics such as Benzenes and their radicals to make PAHs [5], while a more recent model by [6] has raised the possibility of carbon chains forming from the polymerization of acetylene and its radicals to eventually make fullerenes. Laboratory measurements indicate that fullerenes, which are hollow carbon shells, can trap the keV oxygen and with the clustering of fullerenes and possible mixture with PAHs, some with nitrogen molecules, can make the larger aerosols with oxygen within them. Then with further ionizing irradiation from cosmic rays deep in the atmosphere "tholin" molecules are produced with all the molecular components present from which organic molecules can form. Among the molecular components are amino acids, the fundamental building blocks of life as we know it. This process maybe a common chemical pathway, both at the system level and at the molecular level, to form prebiotic and perhaps even biotic molecules. Such processes can be occurring throughout our universe, such as

  6. Measurement of the Formation Rate of Muonic Hydrogen Molecules

    CERN Document Server

    Andreev, V A; Carey, R M; Case, T A; Clayton, S M; Crowe, K M; Deutsch, J; Egger, J; Freedman, S J; Ganzha, V A; Gorringe, T; Gray, F E; Hertzog, D W; Hildebrandt, M; Kammel, P; Kiburg, B; Knaack, S; Kravtsov, P A; Krivshich, A G; Lauss, B; Lynch, K R; Maev, E M; Maev, O E; Mulhauser, F; Petitjean, C; Petrov, G E; Prieels, R; Schapkin, G N; Semenchuk, G G; Soroka, M A; Tishchenko, V; Vasilyev, A A; Vorobyov, A A; Vznuzdaev, M E; Winter, P

    2015-01-01

    Background: The rate \\lambda_pp\\mu\\ characterizes the formation of pp\\mu\\ molecules in collisions of muonic p\\mu\\ atoms with hydrogen. In measurements of the basic weak muon capture reaction on the proton to determine the pseudoscalar coupling g_P, capture occurs from both atomic and molecular states. Thus knowledge of \\lambda_pp\\mu\\ is required for a correct interpretation of these experiments. Purpose: Recently the MuCap experiment has measured the capture rate \\Lambda_S from the singlet p\\mu\\ atom, employing a low density active target to suppress pp\\mu\\ formation (PRL 110, 12504 (2013)). Nevertheless, given the unprecedented precision of this experiment, the existing experimental knowledge in \\lambda_pp\\mu\\ had to be improved. Method: The MuCap experiment derived the weak capture rate from the muon disappearance rate in ultra-pure hydrogen. By doping the hydrogen with 20 ppm of argon, a competing process to pp\\mu\\ formation was introduced, which allowed the extraction of \\lambda_pp\\mu\\ from the observed t...

  7. Plume or no Plume, the Case of the Siberian Trap Formation

    Science.gov (United States)

    Reichow, M. K.; Saunders, A. D.; White, R. V.; Al'Mukhamedov, A. I.; Medvedev, A. I.; Inger, S.

    2003-12-01

    The generation mechanism of continental large igneous provinces, such as the Siberian Traps, are matters of recent debate, particularly their relation to mantle plumes derived from the Earth's interior. Alternative models relate the formation of large igneous provinces to bolide impacts or small-scale convection at the boundary of asymmetric lithospheres. Neither of these models is without criticism and each model cannot explain all characteristics of continental flood basalt formation alone. However, strong support for the involvement of a mantle plume comes from the observation that large volumes of basaltic melts ( ˜3 x 106 km3) erupted within a short period of time (pulse of volcanism extruded over large areas of the Siberian craton. Although the major and trace element data are consistent with a plume origin for the Siberian Traps, they cannot prove it; however, magma volume and timing constraints do strongly suggest that a mantle plume was involved in the formation of the Earth's largest continental flood basalt province.

  8. The formation of trapped surfaces in spherically-symmetric Einstein-Euler spacetimes with bounded variation

    CERN Document Server

    Burtscher, Annegret Y

    2014-01-01

    We study the evolution of a self-gravitating compressible fluid in spherical symmetry and we prove the existence of weak solutions with bounded variation for the Einstein-Euler equations of general relativity. We formulate the initial value problem in Eddington-Finkelstein coordinates and prescribe spherically symmetric data on a characteristic initial hypersurface. We introduce here a broad class of initial data which contain no trapped surfaces, and we then prove that their Cauchy development contains trapped surfaces. We therefore establish the formation of trapped surfaces in weak solutions to the Einstein equations. This result generalizes a theorem by Christodoulou for regular vacuum spacetimes (but without symmetry restriction). Our method of proof relies on a generalization of the "random choice" method for nonlinear hyperbolic systems and on a detailed analysis of the nonlinear coupling between the Einstein equations and the relativistic Euler equations in spherical symmetry.

  9. Genomic and proteomic analyses of the fungus Arthrobotrys oligospora provide insights into nematode-trap formation.

    Directory of Open Access Journals (Sweden)

    Jinkui Yang

    2011-09-01

    Full Text Available Nematode-trapping fungi are "carnivorous" and attack their hosts using specialized trapping devices. The morphological development of these traps is the key indicator of their switch from saprophytic to predacious lifestyles. Here, the genome of the nematode-trapping fungus Arthrobotrys oligospora Fres. (ATCC24927 was reported. The genome contains 40.07 Mb assembled sequence with 11,479 predicted genes. Comparative analysis showed that A. oligospora shared many more genes with pathogenic fungi than with non-pathogenic fungi. Specifically, compared to several sequenced ascomycete fungi, the A. oligospora genome has a larger number of pathogenicity-related genes in the subtilisin, cellulase, cellobiohydrolase, and pectinesterase gene families. Searching against the pathogen-host interaction gene database identified 398 homologous genes involved in pathogenicity in other fungi. The analysis of repetitive sequences provided evidence for repeat-induced point mutations in A. oligospora. Proteomic and quantitative PCR (qPCR analyses revealed that 90 genes were significantly up-regulated at the early stage of trap-formation by nematode extracts and most of these genes were involved in translation, amino acid metabolism, carbohydrate metabolism, cell wall and membrane biogenesis. Based on the combined genomic, proteomic and qPCR data, a model for the formation of nematode trapping device in this fungus was proposed. In this model, multiple fungal signal transduction pathways are activated by its nematode prey to further regulate downstream genes associated with diverse cellular processes such as energy metabolism, biosynthesis of the cell wall and adhesive proteins, cell division, glycerol accumulation and peroxisome biogenesis. This study will facilitate the identification of pathogenicity-related genes and provide a broad foundation for understanding the molecular and evolutionary mechanisms underlying fungi-nematodes interactions.

  10. A Temperature-Jump Optical Trap for Single-Molecule Manipulation

    Science.gov (United States)

    de Lorenzo, Sara; Ribezzi-Crivellari, Marco; Arias-Gonzalez, J. Ricardo; Smith, Steven B.; Ritort, Felix

    2015-01-01

    To our knowledge, we have developed a novel temperature-jump optical tweezers setup that changes the temperature locally and rapidly. It uses a heating laser with a wavelength that is highly absorbed by water so it can cover a broad range of temperatures. This instrument can record several force-distance curves for one individual molecule at various temperatures with good thermal and mechanical stability. Our design has features to reduce convection and baseline shifts, which have troubled previous heating-laser instruments. As proof of accuracy, we used the instrument to carry out DNA unzipping experiments in which we derived the average basepair free energy, entropy, and enthalpy of formation of the DNA duplex in a range of temperatures between 5°C and 50°C. We also used the instrument to characterize the temperature-dependent elasticity of single-stranded DNA (ssDNA), where we find a significant condensation plateau at low force and low temperature. Oddly, the persistence length of ssDNA measured at high force seems to increase with temperature, contrary to simple entropic models. PMID:26083925

  11. Formation of complex organic molecules in cold objects: the role of gas-phase reactions

    Science.gov (United States)

    Balucani, Nadia; Ceccarelli, Cecilia; Taquet, Vianney

    2015-04-01

    While astrochemical models are successful in reproducing many of the observed interstellar species, they have been struggling to explain the observed abundances of complex organic molecules. Current models tend to privilege grain surface over gas-phase chemistry in their formation. One key assumption of those models is that radicals trapped in the grain mantles gain mobility and react on lukewarm ( ≳ 30 K) dust grains. Thus, the recent detections of methyl formate (MF) and dimethyl ether (DME) in cold objects represent a challenge and may clarify the respective role of grain-surface and gas-phase chemistry. We propose here a new model to form DME and MF with gas-phase reactions in cold environments, where DME is the precursor of MF via an efficient reaction overlooked by previous models. Furthermore, methoxy, a precursor of DME, is also synthesized in the gas phase from methanol, which is desorbed by a non-thermal process from the ices. Our new model reproduces fairly well the observations towards L1544. It also explains, in a natural way, the observed correlation between DME and MF. We conclude that gas-phase reactions are major actors in the formation of MF, DME and methoxy in cold gas. This challenges the exclusive role of grain-surface chemistry and favours a combined grain-gas chemistry.

  12. He cluster dynamics in W in the presence of cluster induced formation of He traps

    Science.gov (United States)

    Krasheninnikov, S. I.; Smirnov, R. D.

    2016-02-01

    The theoretical model describing spatiotemporal dynamics of He clusters in tungsten, which takes into account He trap generation associated with the growth of He clusters, is presented. Application of this model to the formation of the layer of nano-bubbles underneath of the surface of thick He irradiated sample, before surface morphology starts to change, gives very good agreement with currently available experimental data. The role of thermophoresis in a long-term evolution of nano-bubble containing structures is discussed.

  13. STUDIES OF THE ANTENNA EFFECT IN POLYMER MOLECULES ENERGY MIGRATION AND TRAPPING IN NAPHTHALENE-CONTAINING POLYELECTROLYTES

    Institute of Scientific and Technical Information of China (English)

    1998-01-01

    Polymers of 1- and 2-vinylnaphthalene containing more than about 50mol% sulfonic acid groups dissolve in water to form "hypercoiled" conformations which have many of the properties of micelles. Hydrophobic molecules such as anthracene and perylene are selectively absorbed in these pseudo micellar structures, and their fluorescence emission is sensitized by energy transfer from the surrounding naphthalene chromophores.When irradiated with UV light in the presence of oxygen, the emission of perylene rapidly decreases. It is proposed that this is due to reaction of singlet oxygen with the perylene trapped in the hypercoiled polymer.

  14. A Dual Source Ion Trap Mass Spectrometer for the Mars Organic Molecule Analyzer of ExoMars 2018

    Science.gov (United States)

    Brickerhoff, William B.; vanAmerom, F. H. W.; Danell, R. M.; Arevalo, R.; Atanassova, M.; Hovmand, L.; Mahaffy, P. R.; Cotter, R. J.

    2011-01-01

    We present details on the objectives, requirements, design and operational approach of the core mass spectrometer of the Mars Organic Molecule Analyzer (MOMA) investigation on the 2018 ExoMars mission. The MOMA mass spectrometer enables the investigation to fulfill its objective of analyzing the chemical composition of organic compounds in solid samples obtained from the near surface of Mars. Two methods of ionization are realized, associated with different modes of MOMA operation, in a single compact ion trap mass spectrometer. The stringent mass and power constraints of the mission have led to features such as low voltage and low frequency RF operation [1] and pulse counting detection.

  15. Deceleration and trapping of polar molecules using time-varying electric fields

    NARCIS (Netherlands)

    Bethlem, Hendrick Lucas

    2002-01-01

    What we experience as an agreeable temperature is in fact due to a constant bombardment of our skin by very fast molecules. At room temperature the average velocity of air molecules around us is about 500 m/s, corresponding to about 2000 km/hour. Only at very low temperatures, close to the absolute

  16. Deceleration and trapping of polar molecules using time-varying electric fields

    NARCIS (Netherlands)

    Bethlem, Hendrick Lucas

    2002-01-01

    What we experience as an agreeable temperature is in fact due to a constant bombardment of our skin by very fast molecules. At room temperature the average velocity of air molecules around us is about 500 m/s, corresponding to about 2000 km/hour. Only at very low temperatures, close to the absolute

  17. Streptococcal Receptor Polysaccharides: Recognition Molecules for Oral Biofilm Formation

    Directory of Open Access Journals (Sweden)

    Kolenbrander Paul E

    2006-06-01

    Full Text Available Abstract Background Strains of viridans group streptococci that initiate colonization of the human tooth surface typically coaggregate with each other and with Actinomyces naeslundii, another member of the developing biofilm community. These interactions generally involve adhesin-mediated recognition of streptococcal receptor polysaccharides (RPS. The objective of our studies is to understand the role of these polysaccharides in oral biofilm development. Methods Different structural types of RPS have been characterized by their reactions with specific antibodies and lectin-like adhesins. Streptococcal gene clusters for RPS biosynthesis were identified, sequenced, characterized and compared. RPS-producing bacteria were detected in biofilm samples using specific antibodies and gene probes. Results Six different types of RPS have been identified from representative viridans group streptococci that coaggregate with A. naeslundii. Each type is composed of a different hexa- or heptasaccharide repeating unit, the structures of which contain host-like motifs, either GalNAcβ1-3Gal or Galβ1-3GalNAc. These motifs account for RPS-mediated recognition, whereas other features of these polysaccharides are more closely associated with RPS antigenicity. The RPS-dependent interaction of S. oralis with A. naeslundii promotes growth of these bacteria and biofilm formation in flowing saliva. Type specific differences in RPS production have been noted among the resident streptococcal floras of different individuals, raising the possibility of RPS-based differences in the composition of oral biofilm communities. Conclusion The structural, functional and molecular properties of streptococcal RPS support a recognition role of these cell surface molecules in oral biofilm formation.

  18. Observation of protein folding/unfolding dynamics of ubiquitin trapped in agarose gel by single-molecule FRET.

    Science.gov (United States)

    Yang, Li-Ling; Kao, Michael W-P; Chen, Hsin-Liang; Lim, Tsong-Shin; Fann, Wunshain; Chen, Rita P-Y

    2012-02-01

    A ubiquitin mutant with two Cys mutations, m[C]q/S65C, was site-specifically labeled with two dye molecules, Alexa Fluor 488 (donor) and Alexa Fluor 594 (acceptor), due to the different reactivity of these two Cys residues. This doubly dye-labeled ubiquitin has lower structural stability than wild-type ubiquitin. Taking advantage of this decreased stability, conformational heterogeneity of this protein under nondenaturing condition was observed at the single-molecule level using single-paired Förster resonance energy transfer (FRET) by trapping the protein in agarose gel. Three conformational populations corresponding to folded (E (ET) ≈ 0.95), loosely packed (E (ET) ≈ 0.72), and unfolded (E (ET) ≈ 0.22) structures, and the structural transitions between them were observed. Our results suggest that agarose immobilization is good for observing structural dynamics of proteins under native condition.

  19. Multi-target trapping in constrained environments using gene regulatory network-based pattern formation

    Directory of Open Access Journals (Sweden)

    Xingguang Peng

    2016-10-01

    Full Text Available Inspired by the morphogenesis of biological organisms, gene regulatory network-based methods have been used in complex pattern formation of swarm robotic systems. In this article, obstacle information was embedded into the gene regulatory network model to make the robots trap targets with an expected pattern while avoiding obstacles in a distributed manner. Based on the modified gene regulatory network model, an implicit function method was adopted to represent the expected pattern which is easily adjusted by adding extra feature points. Considering environmental constraints (e.g. tunnels or gaps in which robots must adjust their pattern to conduct trapping task, a pattern adaptation strategy was proposed for the pattern modeler to adaptively adjust the expected pattern. Also to trap multiple targets, a splitting pattern adaptation strategy was proposed for diffusively moving targets so that the robots can trap each target separately with split sub-patterns. The proposed model and strategies were verified through a set of simulation with complex environmental constraints and non-consensus movements of targets.

  20. Domain wall network as QCD vacuum and the chromomagnetic trap formation under extreme conditions

    Energy Technology Data Exchange (ETDEWEB)

    Nedelko, Sergei N.; Voronin, Vladimir E. [JINR, Bogoliubov Laboratory of Theoretical Physics, Dubna (Russian Federation)

    2015-04-01

    The ensemble of Euclidean gluon field configurations represented by the domain wall network is considered. A single domain wall is given by the sine-Gordon kink for the angle between chromomagnetic and chromoelectric components of the gauge field. The domain wall separates the regions with Abelian self-dual and anti-self-dual fields. The network of the domain wall defects is introduced as a combination of multiplicative and additive superpositions of kinks. The character of the spectrum and eigenmodes of color-charged fluctuations in the presence of the domain wall network is discussed. Conditions for the formation of a stable thick domain wall junction (the chromomagnetic trap) during heavy-ion collisions are discussed, and the spectrum of color-charged quasi-particles inside the trap is evaluated. An important observation is the existence of the critical size L{sub c} of a single trap stable against gluon tachyonic modes. The size L{sub c} is related to the value of gluon condensate left angle g{sup 2} F{sup 2} right angle. The growth of large lumps of merged chromomagnetic traps and the concept of the confinement-deconfinement transition in terms of the ensemble of domain wall networks are outlined. (orig.)

  1. Formation of complex organic molecules in cold objects: the role of gas phase reactions

    CERN Document Server

    Balucani, Nadia; Taquet, Vianney

    2015-01-01

    While astrochemical models are successful in reproducing many of the observed interstellar species, they have been struggling to explain the observed abundances of complex organic molecules. Current models tend to privilege grain surface over gas phase chemistry in their formation. One key assumption of those models is that radicals trapped in the grain mantles gain mobility and react on lukewarm (>30 K) dust grains. Thus, the recent detections of methyl formate (MF) and dimethyl ether (DME) in cold objects represent a challenge and may clarify the respective role of grain surface and gas phase chemistry. We propose here a new model to form DME and MF with gas phase reactions in cold environments, where DME is the precursor of MF via an efficient reaction overlooked by previous models. Furthermore, methoxy, a precursor of DME, is also synthetized in the gas phase from methanol, which is desorbed by a non-thermal process from the ices. Our new model reproduces fairy well the observations towards L1544. It also...

  2. Future challenges in single-molecule fluorescence and laser trap approaches to studies of molecular motors.

    Science.gov (United States)

    Elting, Mary Williard; Spudich, James A

    2012-12-11

    Single-molecule analysis is a powerful modern form of biochemistry, in which individual kinetic steps of a catalytic cycle of an enzyme can be explored in exquisite detail. Both single-molecule fluorescence and single-molecule force techniques have been widely used to characterize a number of protein systems. We focus here on molecular motors as a paradigm. We describe two areas where we expect to see exciting developments in the near future: first, characterizing the coupling of force production to chemical and mechanical changes in motors, and second, understanding how multiple motors work together in the environment of the cell.

  3. Second-Scale Nuclear Spin Coherence Time of Trapped Ultracold $^{23}$Na$^{40}$K Molecules

    CERN Document Server

    Park, Jee Woo; Loh, Huanqian; Will, Sebastian A; Zwierlein, Martin W

    2016-01-01

    Coherence, the stability of the relative phase between quantum states, lies at the heart of quantum mechanics. Applications such as precision measurement, interferometry, and quantum computation are enabled by physical systems that have quantum states with robust coherence. With the creation of molecular ensembles at sub-$\\mu$K temperatures, diatomic molecules have become a novel system under full quantum control. Here, we report on the observation of stable coherence between a pair of nuclear spin states of ultracold fermionic NaK molecules in the singlet rovibrational ground state. Employing microwave fields, we perform Ramsey spectroscopy and observe coherence times on the scale of one second. This work opens the door for the exploration of single molecules as a versatile quantum memory. Switchable long-range interactions between dipolar molecules can further enable two-qubit gates, allowing quantum storage and processing in the same physical system. Within the observed coherence time, $10^4$ one- and two-...

  4. The Impact of Lyman alpha Trapping on the Formation of Primordial Objects

    CERN Document Server

    Latif, M A; Spaans, M

    2010-01-01

    Numerous cosmological simulations have been performed to study the formation of the first objects. We present the results of high resolution 3-D cosmological simulations of primordial objects formation using the adaptive mesh refinement code FLASH by including in an approximate manner the radiative transfer effects of Lyman alpha photons. We compare the results of a Lyman alpha trapping case inside gas clouds with atomic and molecular hydrogen cooling cases.The principal objective of this research is to follow the collapse of a zero metallicity halo with an effective equation of state (that accounts for the trapping) and to explore the fate of a halo in each of the three cases, specifically, the impact of thermodynamics on fragmentation of halos.Our results show that in the case of Lyman alpha trapping, fragmentation is halted and a massive object is formed at the center of a halo. The temperature of the gas remains well above $10^{4}$ K and the halo is not able to fragment to stellar masses. In the atomic co...

  5. The Formation of Charon's Red Poles from Seasonally Cold-Trapped Volatiles

    Science.gov (United States)

    Grundy, W. M.; Cruikshank, D. P.; Gladstone, D. R.; Howett, C. J. A.; Lauer, T. R.; Spencer, J. R.; Summers, M. E.; Buie, M. W.; Earle, A. M.; Ennico, K.; hide

    2016-01-01

    A unique feature of Plutos large satellite Charon is its dark red northern polar cap. Similar colours on Plutos surface have been attributed to tholin-like organic macromolecules produced by energetic radiation processing of hydrocarbons. The polar location on Charon implicates the temperature extremes that result from Charons high obliquity and long seasons in the production of this material. The escape of Pluto's atmosphere provides a potential feedstock for a complex chemistry. Gas from Pluto that is transiently cold-trapped and processed at Charon's winter pole was proposed as an explanation for the dark coloration on the basis of an image of Charon's northern hemisphere, but not modelled quantitatively. Here we report images of the southern hemisphere illuminated by Pluto-shine and also images taken during the approach phase that show the northern polar cap over a range of longitudes. We model the surface thermal environment on Charon and the supply and temporary cold-trapping of material escaping from Pluto, as well as the photolytic processing of this material into more complex and less volatile molecules while cold-trapped. The model results are consistent with the proposed mechanism for producing the observed colour pattern on Charon.

  6. Antihydrogen formation dynamics in a multipolar neutral anti-atom trap

    Science.gov (United States)

    Andresen, G. B.; Bertsche, W.; Bowe, P. D.; Bray, C.; Butler, E.; Cesar, C. L.; Chapman, S.; Charlton, M.; Fajans, J.; Fujiwara, M. C.; Gill, D. R.; Hangst, J. S.; Hardy, W. N.; Hayano, R. S.; Hayden, M. E.; Humphries, A. J.; Hydomako, R.; Jørgensen, L. V.; Kerrigan, S. J.; Kurchaninov, L.; Lambo, R.; Madsen, N.; Nolan, P.; Olchanski, K.; Olin, A.; Povilus, A.; Pusa, P.; Robicheaux, F.; Sarid, E.; El Nasr, S. Seif; Silveira, D. M.; Storey, J. W.; Thompson, R. I.; van der Werf, D. P.; Wurtele, J. S.; Yamazaki, Y.; Alpha Collaboration

    2010-03-01

    Antihydrogen production in a neutral atom trap formed by an octupole-based magnetic field minimum is demonstrated using field-ionization of weakly bound anti-atoms. Using our unique annihilation imaging detector, we correlate antihydrogen detection by imaging and by field-ionization for the first time. We further establish how field-ionization causes radial redistribution of the antiprotons during antihydrogen formation and use this effect for the first simultaneous measurements of strongly and weakly bound antihydrogen atoms. Distinguishing between these provides critical information needed in the process of optimizing for trappable antihydrogen. These observations are of crucial importance to the ultimate goal of performing CPT tests involving antihydrogen, which likely depends upon trapping the anti-atom.

  7. Antihydrogen formation dynamics in a multipolar neutral anti-atom trap

    CERN Document Server

    Andresen, G B; Bowe, P D; Bray, C; Butler, E; Cesar, C L; Chapman, S; Charlton, M; Fajans, J; Fujiwara, M C; Gill, D R; Hangst, J S; Hardy, W N; Hayano, R S; Hayden, M E; Humphries, A J; Hydomako, R; Jørgensen, L V; Kerrigan, S J; Kurchaninov, L; Lambo, R; Madsen, N; Nolan, P; Olchanski, K; Olin, A; Povilus, A; Pusa, P; Robicheaux, F; Sarid, E; Seif El Nasr, S; Silveira, D M; Storey, J W; Thompson, R I; van der Werf, D P; Wurtele, J S; Yamazaki, Y

    2010-01-01

    Antihydrogen production in a neutral atom trap formed by an octupole-based magnetic field minimum is demonstrated using field-ionization of weakly bound anti-atoms. Using our unique annihilation imaging detector, we correlate antihydrogen detection by imaging and by field-ionization for the first time. We further establish how field-ionization causes radial redistribution of the antiprotons during antihydrogen formation and use this effect for the first simultaneous measurements of strongly and weakly bound antihydrogen atoms. Distinguishing between these provides critical information needed in the process of optimizing for trappable antihydrogen. These observations are of crucial importance to the ultimate goal of performing CPT tests involving antihydrogen, which likely depends upon trapping the anti-atom.

  8. The role of the ion-molecule and molecule-molecule interactions in the formation of the two-ion average force interaction potential

    CERN Document Server

    Ajrian, E A; Sidorenko, S N

    2002-01-01

    The effect of the ion-molecule and intermolecular interactions on the formation of inter-ion average force potentials is investigated within the framework of a classical ion-dipole model of electrolyte solutions. These potentials are shown to possess the Coulomb asymptotics at large distances while in the region of mean distances they reveal creation and disintegration of solvent-shared ion pairs. The calculation results provide a qualitatively authentic physical picture which is experimentally observed in strong electrolytes solutions. In particular, an increased interaction between an ion and a molecule enhances formation of ion pairs in which the ions are separated by one solvent molecule

  9. Mixing and trapping of dissolved CO2 in deep geologic formations with shale layers

    Science.gov (United States)

    Agartan, Elif; Cihan, Abdullah; Illangasekare, Tissa H.; Zhou, Quanlin; Birkholzer, Jens T.

    2017-07-01

    For dissolution trapping, the spatial variability of the geologic properties of naturally complex storage formations can significantly impact flow patterns and storage mechanisms of dissolved CO2. The significance of diffusive mixing that occurs in low permeability layers embedded between relatively higher permeability materials was highlighted by Agartan et al. (2015) using a highly controlled laboratory experimental study on trapping of dissolved CO2 in multilayered systems. In this paper, we present a numerical modeling study on the impacts of low permeability layers on flow and storage of dissolved CO2 in realistic field-scale settings. The simulator of variable-density flow used in this study was first verified using the experimental data in Agartan et al. (2015) to capture the observed processes. The simulator was then applied to a synthetic, field-scale multilayered system, with 19 sensitivity cases having variable permeability and thickness of the shale layers as well as the source strength and geometry of the source zone of dissolved CO2. Simulation results showed that the presence of continuous shale layers in the storage system disrupts the convective mixing by enhancing lateral spreading of dissolved CO2 in sandstone layers and retarding the vertical mixing of dissolved CO2. The effectiveness of trapping of dissolved CO2 depends on the physical properties of the shale layers and configurations of the source zone. The comparison to homogeneous cases with effective vertical permeability shows that it is important to capture these continuous thin shale layers in a storage formation and include them in the models to enhance dissolution trapping.

  10. Formation of deeply bound LiRb molecules via photoassociation to near asymptotic states

    Science.gov (United States)

    Lorenz, John D.

    We present the results of a spectroscopic study LiRb molecules created via photoassociation (PA) to vibration levels of the 4(1) potential. Atoms are first cooled and trapped in a dual species 7Li/ 85Rb magneto-optical trap (MOT) at temperatures of ≈ 1 mK or less. In a cold sample of sufficient density, PA occurs when a resonant laser field induces a free-bound transition to create molecules in an excited electronic potential. After spontaneous emission the molecules decay to a mixture of free atoms and bound molecules depending on the Franck-Condon factors (FCFs) of the excited and ground state vibrational wavefunctions. While excited LiRb * has been previously detected by trap loss fluorescence detection, ionization spectroscopy is required to determine the population of ground state levels after decay. We detect ground state molecules via resonantly enhanced multiphoton ionization (REMPI) where a two photon ionization transition is enhanced by an intermediate resonance. The intermediate resonances match progressions from the D1pi and possibly B1Π potentials, many of which have known energies obtained from previous heat pipe experiments. This is contrary to the expectation that weakly bound LiRb * should primarily decay to weakly bound levels of the ground state and could point to a possible path for creating molecules in the rovibronic ground state.

  11. Streptococcus suis Serotype 2 Biofilms Inhibit the Formation of Neutrophil Extracellular Traps

    Science.gov (United States)

    Ma, Fang; Yi, Li; Yu, Ningwei; Wang, Guangyu; Ma, Zhe; Lin, Huixing; Fan, Hongjie

    2017-01-01

    Invasive infections caused by Streptococcus suis serotype 2 (SS2) has emerged as a clinical problem in recent years. Neutrophil extracellular traps (NETs) are an important mechanism for the trapping and killing of pathogens that are resistant to phagocytosis. Biofilm formation can protect bacteria from being killed by phagocytes. Until now, there have only been a few studies that focused on the interactions between bacterial biofilms and NETs. SS2 in both a biofilm state and a planktonic cell state were incubated with phagocytes and NETs, and bacterial survival was assessed. DNase I and cytochalasin B were used to degrade NET DNA or suppress phagocytosis, respectively. Extracellular DNA was stained with impermeable fluorescent dye to quantify NET formation. Biofilm formation increased up to 6-fold in the presence of neutrophils, and biofilms were identified in murine tissue. Both planktonic and biofilm cells induced neutrophils chemotaxis to the infection site, with neutrophils increasing by 85.1 and 73.8%, respectively. The bacteria in biofilms were not phagocytized. The bactericidal efficacy of NETs on the biofilms and planktonic cells were equal; however, the biofilm extracellular matrix can inhibit NET release. Although biofilms inhibit NETs release, NETs appear to be an important mechanism to eliminate SS2 biofilms. This knowledge advances the understanding of biofilms and may aid in the development of treatments for persistent infections with a biofilm component. PMID:28373968

  12. Fidelity by design: Yoctoreactor and binder trap enrichment for small-molecule DNA-encoded libraries and drug discovery.

    Science.gov (United States)

    Blakskjaer, Peter; Heitner, Tara; Hansen, Nils Jakob Vest

    2015-06-01

    DNA-encoded small-molecule library (DEL) technology allows vast drug-like small molecule libraries to be efficiently synthesized in a combinatorial fashion and screened in a single tube method for binding, with an assay readout empowered by advances in next generation sequencing technology. This approach has increasingly been applied as a viable technology for the identification of small-molecule modulators to protein targets and as precursors to drugs in the past decade. Several strategies for producing and for screening DELs have been devised by both academic and industrial institutions. This review highlights some of the most significant and recent strategies along with important results. A special focus on the production of high fidelity DEL technologies with the ability to eliminate screening noise and false positives is included: using a DNA junction called the Yoctoreactor, building blocks (BBs) are spatially confined at the center of the junction facilitating both the chemical reaction between BBs and encoding of the synthetic route. A screening method, known as binder trap enrichment, permits DELs to be screened robustly in a homogeneous manner delivering clean data sets and potent hits for even the most challenging targets.

  13. Ion tail formation by cascade trapping in lower-hybrid heating experiments

    Energy Technology Data Exchange (ETDEWEB)

    Gell, Y.; Nakach, R.

    1986-03-01

    The possibility of the operation of a multistep trapping process in the interaction of the ions of a plasma with lower--hybrid waves, leading to the formation of a tail in the ion velocity distribution, is investigated. Considering waves propagating perpendicularly to a homogeneous magnetic field, it is found that the spectral nature of the lower-hybrid excitation and the dependency of the perpendicular wave vector on the radial coordinate of the torus are the characteristics of the system which enable this cascading acceleration to take place. The conditions and limitations for the operation of this mechanism are discussed.

  14. Mars Organic Molecule Analyzer (MOMA) Mass Spectrometer Flight Model and Future Ion Trap-Based Planetary Instruments

    Science.gov (United States)

    Brinckerhoff, W. B.; van Amerom, F. H. W.; Danell, R.; Pinnick, V. T.; Arevalo, R. D., Jr.; Li, X.; Grubisic, A.; Getty, S.; Hovmand, L.; Mahaffy, P. R.

    2015-12-01

    The Mars Organic Molecule Analyzer (MOMA) investigation on the 2018 ExoMars rover will examine the chemical composition of samples acquired from depths of up to two meters below the martian surface, where organics may be protected from radiative and oxidative degradation. MOMA combines pyrolysis gas chromatography mass spectrometry (GCMS) of bulk powder samples and Mars ambient laser desorption mass spectrometry (LDMS) surface analysis, using a single ion trap MS. This dual source design enables MOMA to detect compounds over a wide range of molecular weights and volatilities. The structure of any detected organics may be further examined using MOMA's tandem mass spectrometry (MS/MS) mode. The flight model (FM) ion trap sensor and electronics have been assembled under the extremely clean and sterile conditions required by ExoMars, and have met or exceeded all performance specifications during initial functional tests. After Mars ambient thermal cycling and calibration, the FM will be delivered as a subsystem of MOMA to rover integration in mid-2016. There MOMA will join complementary rover instruments such as the Raman and MicrOmega spectrometers designed to analyze common drill samples. Following the MOMA design, linear ion trap mass spectrometer (LITMS)-based instruments are under development for future missions. LITMS adds enhanced capabilities such as precision (point-by-point) analysis of drill cores, negative ion detection, a wider mass range, and higher temperature pyrolysis with precision evolved gas analysis, while remaining highly compact and robust. Each of the capabilities of LITMS has been demonstrated on breadboard hardware. The next phase will realize an end-to-end brassboard at flight scale that will meet stringent technology readiness level (TRL) 6 criteria, indicating readiness for development toward missions to Mars, comets, asteroids, outer solar system moons, and beyond.

  15. Hydrodynamic trapping in Mission Canyon Formation (Mississippian) reservoirs: Elkhorn Ranch field, North Dakota

    Energy Technology Data Exchange (ETDEWEB)

    Demis, W.D. (Marathon Oil Co., Houston, TX (United States))

    1991-03-01

    Hydrocarbons in Mission Canyon dolomite reservoirs in the Elkhorn Ranch field are trapped by downdip flow of formation water to the northeast. Elkhorn Ranch field is located on a north-plunging anticline with only 10 ft (3 m) of crestal closure. The Mission Canyon is a regressive, shallowing upward sequence of subtidal dolomitized mudstones and wackestones grading upward into sebkha-salina evaporites. Mission Canyon oil production is localized on the north and northeast side of the structure. Maps of porosity pinch-outs and permeability barriers defined from core data, superimposed upon the Mission Canyon structure, show that most of the oil cannot be trapped by stratigraphic facies change. Southwest-trending, updip porosity pinch-outs cross the north-plunging structural axis at an angle so low that hydrocarbons would leak out to the southwest under hydrostatic conditions. Downdip hydrodynamic flow to the northeast provides the critical trapping component. Regional maps of apparent formation water resistivity and water salinity show a region of fresher water south and southwest of the field. A regional potentiometric map constructed using Horner-plot extrapolated shut-in pressure data indicates a head gradient of about 20 ft/mi (4 m/km) to the northeast at Elkhorn Ranch field. This gradient corresponds to a calculated water-oil tilt of about 50 ft/mi (20 m/km). Observed tilt of the oil accumulation is actually about 25 ft/mi (5 m/km) to the northeast. This discrepancy might be the result of the field having not yet reached equilibrium with the invading water.

  16. Ion pair formation in water. association constants of bolaform, bisquaternary ammonium, electrolytes by chemical trapping.

    Science.gov (United States)

    Geng, Yan; Romsted, Laurence S

    2005-12-15

    The first and second association constants, K1 and K2, for ion pair formation in aqueous 0.02-3.5 M solutions of bis(trimethyl)-alpha,omega-alkanediammonium halides with variable spacer lengths, 1-n-1 2X (n = 2-4, X = Cl, Br) and bolaform salts and for tetramethylammonium halides (TMAX, X = Cl, Br), K(TMAX), were determined by the chemical trapping method. Values for K(TMAX) are small, K(TMABr) = 0.83 M(-1) and K(TMACl) = 0.29 M(-1), in agreement with literature values. For the bolaform salts, K1 depends on spacer length and counterion type, ranges from 0.4 to 17 M(-1), is 2-10 times larger than K2, is larger for Br- than Cl-, and decreases by a factor of approximately 3 for Cl- and approximately 10 for Br- as n increases from 2 to 4. K2, for the formation of bolaform dihalide pair, is essentially the same as that for ion pair formation in TMAX solutions, i.e., K2 approximately K(TMAX). Values of K1 and K(TMABr) obtained from changes in 79Br line widths are in good agreement with those obtained by chemical trapping. The results are consistent with a thermodynamic model in which the ion association depends on the balance of the ion specific hydration free energies of cations and anions and their ion specific and hydration interactions in ion pairs. Spacer length dependent ion pairing by bolaform electrolytes, which are analogues of the headgroups and counterions of gemini amphiphiles, suggests a new model for the spacer length dependent sphere-to-rod transitions of gemini micelles. Neutral, but polar, headgroup-counterion pairs have a lower demand for hydration that free headgroups and counterions, and headgroup-counterion pair formation releases interfacial water into the bulk aqueous phase, permitting tighter amphiphile packing in rodlike micelles.

  17. Nanospiral Formation by Droplet Drying: One Molecule at a Time

    Directory of Open Access Journals (Sweden)

    Wan Lei

    2011-01-01

    Full Text Available Abstract We have created nanospirals by self-assembly during droplet evaporation. The nanospirals, 60–70 nm in diameter, formed when solvent mixtures of methanol and m-cresol were used. In contrast, spin coating using only methanol as the solvent produced epitaxial films of stripe nanopatterns and using only m-cresol disordered structure. Due to the disparity in vapor pressure between the two solvents, droplets of m-cresol solution remaining on the substrate serve as templates for the self-assembly of carboxylic acid molecules, which in turn allows the visualization of solution droplet evaporation one molecule at a time.

  18. Nanospiral Formation by Droplet Drying: One Molecule at a Time.

    Science.gov (United States)

    Wan, Lei; Li, Li; Mao, Guangzhao

    2011-12-01

    We have created nanospirals by self-assembly during droplet evaporation. The nanospirals, 60-70 nm in diameter, formed when solvent mixtures of methanol and m-cresol were used. In contrast, spin coating using only methanol as the solvent produced epitaxial films of stripe nanopatterns and using only m-cresol disordered structure. Due to the disparity in vapor pressure between the two solvents, droplets of m-cresol solution remaining on the substrate serve as templates for the self-assembly of carboxylic acid molecules, which in turn allows the visualization of solution droplet evaporation one molecule at a time.

  19. Modeling of helix molecules formation on a surface of nanotube and inside it

    Directory of Open Access Journals (Sweden)

    Belolipetskaya Anna

    2017-01-01

    Full Text Available “On-surface” synthesis of large molecules and assemblies is a great challenge in molecular electronics, biomedical devices, sensors, energy harnessing and catalysis. Usually, plane surfaces are used for these purposes. We study a possibility of macro molecules formation on the surface of nanotube and inside it. It can be used for synthesis of helix molecules, particularly, organic and biological. Nanotubes of different structures were considered. Point-like approximation is used for atoms. The Lennard-Jones 6-12 potential is taken as the interaction potential. Possibilities of helix molecules and ring-like molecules formations were shown. A hypothesis of such processes influence on the organic molecules formation during the early Earth history is suggested and discussed.

  20. Iron-chelating agent, deferasirox, inhibits neutrophil activation and extracellular trap formation.

    Science.gov (United States)

    Kono, Mari; Saigo, Katsuyasu; Yamamoto, Shiori; Shirai, Kohei; Iwamoto, Shuta; Uematsu, Tomoko; Takahashi, Takayuki; Imoto, Shion; Hashimoto, Makoto; Minami, Yosuke; Wada, Atsushi; Takenokuchi, Mariko; Kawano, Seiji

    2016-10-01

    Iron-chelating agents, which are frequently prescribed to transfusion-dependent patients, have various useful biological effects in addition to chelation. Reactive oxygen species (ROS) produced by neutrophils can cause pulmonary endothelial cell damage, which can lead to acute lung injury (ALI). We previously reported that deferasirox (DFS), an iron-chelating agent, inhibits phorbol myristate acetate (PMA) or formyl-methionyl-leucyl-phenylalanine (fMLP)-induced ROS production in neutrophils, in vitro. Here, we investigate whether DFS inhibits vacuolization in neutrophils and neutrophil extracellular trap (NET) formation. Human neutrophils were incubated with DFS and stimulated with PMA or fMLP. Human neutrophils were separated from heparinized peripheral blood using density gradient centrifugation, and subsequently incubated with DFS. After 10 minutes, neutrophils were stimulated by PMA or fMLP. Vacuole formation was observed by electron microscopy. For observing NET formations using microscopes, immunohistological analyses using citrullinated histone H3 and myeloperoxidase antibodies, and SYTOX Green (an impermeable DNA detection dye) staining, were conducted. NET formation was measured as the quantity of double-stranded DNA (dsDNA), using the AccuBlue Broad Range dsDNA Quantitation Kit. DFS (50 μmol/L) inhibited vacuole formation in the cytoplasm and NET formation. Additionally, 5-100 μmol/L concentration of DFS inhibited the release of dsDNA in a dose-independent manner. We demonstrate that DFS inhibits not only ROS production but also vacuolization and NET formation in neutrophils. These results suggest the possibility of protective effects of DFS against NET-related adverse effects, including ALI and thrombosis.

  1. A Metabolic Shift toward Pentose Phosphate Pathway Is Necessary for Amyloid Fibril- and Phorbol 12-Myristate 13-Acetate-induced Neutrophil Extracellular Trap (NET) Formation.

    Science.gov (United States)

    Azevedo, Estefania P; Rochael, Natalia C; Guimarães-Costa, Anderson B; de Souza-Vieira, Thiago S; Ganilho, Juliana; Saraiva, Elvira M; Palhano, Fernando L; Foguel, Debora

    2015-09-01

    Neutrophils are the main defense cells of the innate immune system. Upon stimulation, neutrophils release their chromosomal DNA to trap and kill microorganisms and inhibit their dissemination. These chromatin traps are termed neutrophil extracellular traps (NETs) and are decorated with granular and cytoplasm proteins. NET release can be induced by several microorganism membrane components, phorbol 12-myristate 13-acetate as well as by amyloid fibrils, insoluble proteinaceous molecules associated with more than 40 different pathologies among other stimuli. The intracellular signaling involved in NET formation is complex and remains unclear for most tested stimuli. Herein we demonstrate that a metabolic shift toward the pentose phosphate pathway (PPP) is necessary for NET release because glucose-6-phosphate dehydrogenase (G6PD), an important enzyme from PPP, fuels NADPH oxidase with NADPH to produce superoxide and thus induce NETs. In addition, we observed that mitochondrial reactive oxygen species, which are NADPH-independent, are not effective in producing NETs. These data shed new light on how the PPP and glucose metabolism contributes to NET formation.

  2. Autophagy is induced by anti-neutrophil cytoplasmic Abs and promotes neutrophil extracellular traps formation.

    Science.gov (United States)

    Sha, Li-Li; Wang, Huan; Wang, Chen; Peng, Hong-Ying; Chen, Min; Zhao, Ming-Hui

    2016-11-01

    Dysregulated neutrophil extracellular traps (NETs) formation contributes to the pathogenesis of anti-neutrophil cytoplasmic Ab (ANCA)-associated vasculitis (AAV). Increasing evidence indicates that autophagy is involved in the process of NETs formation. In this study, we aimed to investigate whether ANCA could induce autophagy in the process of NETs formation. Autophagy was detected using live cell imaging, microtubule-associated protein light chain 3B (LC3B) accumulation and Western blotting. The results showed that autophagy vacuolization was detected in neutrophils treated with ANCA-positive IgG by live cell imaging. This effect was enhanced by rapamycin, the autophagy inducer, and weakened by 3-methyladenine (3-MA), the autophagy inhibitor. In line with these results, the autophagy marker, LC3B, showed a punctate distribution pattern in the neutrophils stimulated with ANCA-positive IgG. In the presence of rapamycin, LC3B accumulation was further increased; however, this effect was attenuated by 3-MA. Moreover, incubated with ANCA-positive IgG, the NETosis rate significantly increased compared with the unstimulated group. And, the rate significantly increased or decreased in the neutrophils pretreated with rapamycin or 3-MA, respectively, as compared with the cells incubated with ANCA-positive IgG. Overall, this study demonstrates that autophagy is induced by ANCA and promotes ANCA-induced NETs formation.

  3. Aflatoxin B1 Induces Reactive Oxygen Species-Mediated Autophagy and Extracellular Trap Formation in Macrophages

    Science.gov (United States)

    An, Yanan; Shi, Xiaochen; Tang, Xudong; Wang, Yang; Shen, Fengge; Zhang, Qiaoli; Wang, Chao; Jiang, Mingguo; Liu, Mingyuan; Yu, Lu

    2017-01-01

    Aflatoxins are a group of highly toxic mycotoxins with high carcinogenicity that are commonly found in foods. Aflatoxin B1 (AFB1) is the most toxic member of the aflatoxin family. A recent study reported that AFB1 can induce autophagy, but whether AFB1 can induce extracellular traps (ETs) and the relationships among innate immune responses, reactive oxygen species (ROS), and autophagy and the ETs induced by AFB1 remain unknown. Here, we demonstrated that AFB1 induced a complete autophagic process in macrophages (MΦ) (THP-1 cells and RAW264.7 cells). In addition, AFB1 induced the generation of MΦ ETs (METs) in a dose-dependent manner. In particular, the formation of METs significantly reduced the AFB1 content. Further analysis using specific inhibitors showed that the inhibition of either autophagy or ROS prevented MET formation caused by AFB1, indicating that autophagy and ROS were required for AFB1-induced MET formation. The inhibition of ROS prevented autophagy, indicating that ROS generation occurred upstream of AFB1-induced autophagy. Taken together, these data suggest that AFB1 induces ROS-mediated autophagy and ETs formation and an M1 phenotype in MΦ. PMID:28280716

  4. Superoxide Induces Neutrophil Extracellular Trap Formation in a TLR-4 and NOX-Dependent Mechanism

    Science.gov (United States)

    Al-Khafaji, Ahmed B; Tohme, Samer; Yazdani, Hamza Obaid; Miller, David; Huang, Hai; Tsung, Allan

    2016-01-01

    Neutrophils constitute the early innate immune response to perceived infectious and sterile threats. Neutrophil extracellular traps (NETs) are a novel mechanism to counter pathogenic invasion and sequelae of ischemia, including cell death and oxidative stress. Superoxide is a radical intermediate of oxygen metabolism produced by parenchymal and nonparenchymal hepatic cells, and is a hallmark of oxidative stress after liver ischemia-reperfusion (I/R). While extracellular superoxide recruits neutrophils to the liver and initiates sterile inflammatory injury, it is unknown whether superoxide induces the formation of NETs. We hypothesize that superoxide induces NET formation through a signaling cascade involving Toll-like receptor 4 (TLR-4) and neutrophil NADPH oxidase (NOX). We treated neutrophils with extracellular superoxide and observed NET DNA release, histone H3 citrullination and increased levels of MPO-DNA complexes occurring in a TLR-4–dependent manner. Inhibition of superoxide generation by allopurinol and inhibition of NOX by diphenyleneiodonium prevented NET formation. When mice were subjected to warm liver I/R, we found significant NET formation associated with liver necrosis and increased serum ALT in TLR-4 WT but not TLR-4 KO mice. To reduce circulating superoxide, we pretreated mice undergoing I/R with allopurinol and N-acetylcysteine, which resulted in decreased NETs and ameliorated liver injury. Our study demonstrates a requirement for TLR-4 and NOX in superoxide-induced NETs, and suggests involvement of superoxide-induced NETs in pathophysiologic settings. PMID:27453505

  5. Theory of Feshbach molecule formation in a dilute gas during a magnetic field ramp

    DEFF Research Database (Denmark)

    Williams, J. E.; Nygaard, Nicolai; Clark, C. W.

    2006-01-01

    Starting with coupled atom-molecule Boltzmann equations, we develop a simplified model to understand molecule formation observed in recent experiments. Our theory predicts several key features: (1) the effective adiabatic rate constant is proportional to density; (2) in an adiabatic ramp, the dep......Starting with coupled atom-molecule Boltzmann equations, we develop a simplified model to understand molecule formation observed in recent experiments. Our theory predicts several key features: (1) the effective adiabatic rate constant is proportional to density; (2) in an adiabatic ramp...

  6. Coupling protoplanetary disk formation with early protostellar evolution: influence on planet traps

    Science.gov (United States)

    Baillie, Kevin; Piau, Laurent

    2016-10-01

    Protoplanetary disk structures are known to be shaped by various thermal and compositional effects such as (though not limited to) shadowed regions, sublimation lines, density bumps... The resulting irregularities in the surface mass density and temperature profiles are key elements to determine the location where planetary embryos can be trapped. These traps provide hints of which planets are most likely to survive, at what distance from the star, and potentially with what composition (Baillié, Charnoz, Pantin, 2015, A&A 577, A65; Baillié, Charnoz, Pantin, 2016, A&A 590, A60). These structures are determined by the viscous spreading of the disk, that is initially formed by the collapse of the molecular cloud.Starting from the numerical hydrodynamical model detailed in Baillié & Charnoz., 2014, ApJ 786, 35 which couples the disk thermodynamics, its photosphere geometry, its dynamics and its dust composition in order to follow its long-term evolution, we now consider the early stages of the central star. We model the joint formation of the disk and the star: their mass are directly derived from the collapse of the molecular cloud while the star temperature, radius and brightness are interpolated over pre-calculated stellar evolutions. Therefore, our simulations no longer depend on the initial profile of the "Minimum Mass Solar Nebula", and allow us to model the influence of the forming star on the protoplanetary disk. In particular, we will present the resulting distribution of the sublimation lines of the main dust species, as well as the locations of the planet traps at various disk ages. In the longer term, we intend to investigate the influence of the star properties on the selection of the surviving planets.

  7. Reversible photo-induced trap formation in mixed-halide hybrid perovskites for photovoltaics.

    Science.gov (United States)

    Hoke, Eric T; Slotcavage, Daniel J; Dohner, Emma R; Bowring, Andrea R; Karunadasa, Hemamala I; McGehee, Michael D

    2015-01-01

    We report on reversible, light-induced transformations in (CH3NH3)Pb(Br x I1-x )3. Photoluminescence (PL) spectra of these perovskites develop a new, red-shifted peak at 1.68 eV that grows in intensity under constant, 1-sun illumination in less than a minute. This is accompanied by an increase in sub-bandgap absorption at ∼1.7 eV, indicating the formation of luminescent trap states. Light soaking causes a splitting of X-ray diffraction (XRD) peaks, suggesting segregation into two crystalline phases. Surprisingly, these photo-induced changes are fully reversible; the XRD patterns and the PL and absorption spectra revert to their initial states after the materials are left for a few minutes in the dark. We speculate that photoexcitation may cause halide segregation into iodide-rich minority and bromide-enriched majority domains, the former acting as a recombination center trap. This instability may limit achievable voltages from some mixed-halide perovskite solar cells and could have implications for the photostability of halide perovskites used in optoelectronics.

  8. Pyocyanin-enhanced neutrophil extracellular trap formation requires the NADPH oxidase.

    Directory of Open Access Journals (Sweden)

    Balázs Rada

    Full Text Available Beyond intracellular killing, a novel neutrophil-based antimicrobial mechanism has been recently discovered: entrapment and killing by neutrophil extracellular traps (NETs. NETs consist of extruded nuclear DNA webs decorated with granule proteins. Although NET formation is an important innate immune mechanism, uncontrolled NET release damages host tissues and has been linked to several diseases including cystic fibrosis (CF. The major CF airway pathogen Pseudomonas aeruginosa establishes chronic infection. Pseudomonas imbedded within biofilms is protected against the immune system, but maintains chronic inflammation that worsens disease symptoms. Aberrant NET release from recruited neutrophils was found in CF, but the underlying mechanisms remain unclear. One of the most important Pseudomonas virulence factors is pyocyanin, a redox-active pigment that has been associated with diminished lung function in CF. Here we show that pyocyanin promotes NET formation in a time- and dose-dependent manner. Most CF Pseudomonas clinical isolates tested produce pyocyanin in vitro. Pyocyanin-derived reactive oxygen species are required for its NET release. Inhibitor experiments demonstrated involvement of Jun N-terminal Kinase (JNK and phosphatidylinositol 3-Kinase (PI3K in pyocyanin-induced NET formation. Pyocyanin-induced NETs also require the NADPH oxidase because NET release in chronic granulomatous disease neutrophils was greatly reduced. Comparison of neutrophils from gp91phox- and p47phox-deficient patients revealed that pyocyanin-triggered NET formation is proportional to their residual superoxide production. Our studies identify pyocyanin as the first secreted bacterial toxin that enhances NET formation. The involvement of NADPH oxidase in pyocyanin-induced NET formation represents a novel mechanism of pyocyanin toxicity.

  9. Creating Feshbach resonances for ultracold molecule formation with radiofrequency fields

    CERN Document Server

    Owens, Daniel J; Hutson, Jeremy M

    2016-01-01

    We show that radiofrequency (RF) radiation may be used to create Feshbach resonances in ultracold gases of alkali-metal atoms at desired magnetic fields that are convenient for atomic cooling and degeneracy. For the case of $^{39}$K+$^{133}$Cs, where there are no RF-free resonances in regions where Cs may be cooled to degeneracy, we show that a resonance may be created near 21~G with 67~MHz RF radiation. This resonance is almost lossless with circularly polarized RF, and the molecules created are long-lived even with plane-polarized RF.

  10. Planet traps and first planets: The critical metallicity for gas giant formation

    Energy Technology Data Exchange (ETDEWEB)

    Hasegawa, Yasuhiro; Hirashita, Hiroyuki, E-mail: yasu@asiaa.sinica.edu.tw, E-mail: hirashita@asiaa.sinica.edu.tw [Institute of Astronomy and Astrophysics, Academia Sinica (ASIAA), P.O. Box 23-141, Taipei 10617, Taiwan (China)

    2014-06-10

    The ubiquity of planets poses an interesting question: when are first planets formed in galaxies? We investigate this by adopting a theoretical model where planet traps are combined with the standard core accretion scenario in which the efficiency of forming planetary cores directly relates to the metallicity ([Fe/H]) in disks. Three characteristic exoplanetary populations are examined: hot Jupiters, exo-Jupiters around 1 AU, and low-mass planets in tight orbits, such as super-Earths. We statistically compute planet formation frequencies (PFFs), as well as the orbital radius (〈R{sub rapid}〉) within which gas accretion becomes efficient enough to form Jovian planets, as a function of metallicity (–2 ≤ [Fe/H] ≤–0.6). We show that the total PFFs for these three populations increase steadily with metallicity. This is the direct outcome of the core accretion picture. For the metallicity range considered here, the population of low-mass planets dominates Jovian planets. The Jovian planets contribute to the PFFs above [Fe/H] ≅ –1. We find that the hot Jupiters form more efficiently than the exo-Jupiters at [Fe/H] ≲ –0.7. This arises from the slower growth of planetary cores and their more efficient radial inward transport by the host traps in lower metallicity disks. We show that the critical metallicity for forming Jovian planets is [Fe/H] ≅ –1.2 by comparing 〈R{sub rapid}〉 of hot Jupiters and low-mass planets. The comparison intrinsically links to the different gas accretion efficiency between these two types of planets. Therefore, this study implies that important physical processes in planet formation may be tested by exoplanet observations around metal-poor stars.

  11. A role for muscarinic receptors in neutrophil extracellular trap formation and levamisole-induced autoimmunity

    Science.gov (United States)

    Carmona-Rivera, Carmelo; Purmalek, Monica M.; Moore, Erica; Waldman, Meryl; Walter, Peter J.; Garraffo, H. Martin; Phillips, Karran A.; Preston, Kenzie L.; Graf, Jonathan; Grayson, Peter C.

    2017-01-01

    Levamisole, an anthelmintic drug with cholinergic properties, has been implicated in cases of drug-induced vasculitis when added to cocaine for profit purposes. Neutrophil extracellular trap (NET) formation is a cell death mechanism characterized by extrusion of chromatin decorated with granule proteins. Aberrant NET formation and degradation have been implicated in idiopathic autoimmune diseases that share features with levamisole-induced autoimmunity as well as in drug-induced autoimmunity. This study’s objective was to determine how levamisole modulates neutrophil biology and its putative effects on the vasculature. Murine and human neutrophils exposed to levamisole demonstrated enhanced NET formation through engagement of muscarinic subtype 3 receptor. Levamisole-induced NETosis required activation of Akt and the RAF/MEK/ERK pathway, ROS induction through the nicotinamide adenine dinucleotide phosphate oxidase, and peptidylarginine deiminase activation. Sera from two cohorts of patients actively using levamisole-adulterated cocaine displayed autoantibodies against NET components. Cutaneous biopsy material obtained from individuals exposed to levamisole suggests that neutrophils produce NETs in areas of vasculitic inflammation and thrombosis. NETs generated by levamisole were toxic to endothelial cells and impaired endothelium-dependent vasorelaxation. Stimulation of muscarinic receptors on neutrophils by cholinergic agonists may contribute to the pathophysiology observed in drug-induced autoimmunity through the induction of inflammatory responses and neutrophil-induced vascular damage. PMID:28194438

  12. A role for muscarinic receptors in neutrophil extracellular trap formation and levamisole-induced autoimmunity.

    Science.gov (United States)

    Carmona-Rivera, Carmelo; Purmalek, Monica M; Moore, Erica; Waldman, Meryl; Walter, Peter J; Garraffo, H Martin; Phillips, Karran A; Preston, Kenzie L; Graf, Jonathan; Kaplan, Mariana J; Grayson, Peter C

    2017-02-09

    Levamisole, an anthelmintic drug with cholinergic properties, has been implicated in cases of drug-induced vasculitis when added to cocaine for profit purposes. Neutrophil extracellular trap (NET) formation is a cell death mechanism characterized by extrusion of chromatin decorated with granule proteins. Aberrant NET formation and degradation have been implicated in idiopathic autoimmune diseases that share features with levamisole-induced autoimmunity as well as in drug-induced autoimmunity. This study's objective was to determine how levamisole modulates neutrophil biology and its putative effects on the vasculature. Murine and human neutrophils exposed to levamisole demonstrated enhanced NET formation through engagement of muscarinic subtype 3 receptor. Levamisole-induced NETosis required activation of Akt and the RAF/MEK/ERK pathway, ROS induction through the nicotinamide adenine dinucleotide phosphate oxidase, and peptidylarginine deiminase activation. Sera from two cohorts of patients actively using levamisole-adulterated cocaine displayed autoantibodies against NET components. Cutaneous biopsy material obtained from individuals exposed to levamisole suggests that neutrophils produce NETs in areas of vasculitic inflammation and thrombosis. NETs generated by levamisole were toxic to endothelial cells and impaired endothelium-dependent vasorelaxation. Stimulation of muscarinic receptors on neutrophils by cholinergic agonists may contribute to the pathophysiology observed in drug-induced autoimmunity through the induction of inflammatory responses and neutrophil-induced vascular damage.

  13. Localization and dynamics of amylose-lipophilic molecules inclusion complex formation in starch granules

    NARCIS (Netherlands)

    Manca, Marianna; Woortman, Albert J. J.; Mura, Andrea; Loos, Katja; Loi, Maria Antonietta

    2015-01-01

    Inclusion complex formation between lipophilic dye molecules and amylose polymers in starch granules is investigated using laser spectroscopy and microscopy. By combining confocal laser scanning microscopy (CLSM) with spatial resolved photoluminescence (PL) spectroscopy, we are able to discriminate

  14. Light-controlled mass formation of aggregates of molecules in organic compounds

    Institute of Scientific and Technical Information of China (English)

    Tariel D.Ebralidze; Nadia A.Ebralidze; Giorgi A.Mumladze; Enriko S.Kitsmarishvili

    2009-01-01

    During the mass formation of aggregates of molecules in a gelatin film dyed with the mixture of chrysophenine and acridine yellow dyes,photo-reorientation,photo-disorientation,and photo-orientation of the molecules are observed.Based on these observations,the photo-induction of granular aniso tropy may be realized.

  15. On the possibility that supernovae influence homochiral organic molecule formation

    Energy Technology Data Exchange (ETDEWEB)

    Cline, D.B. [Univ. of California Los Angeles, Dept. of Physics and Astronomy 405 Hilgard Avenue, Los Angeles, California 90095-1547 (United States)

    1996-07-01

    The origin of the homochirality of the organic molecules in living material remains a mystery. We propose here that the supernova(s) that initiated the solar system also produced the mechanism for the chiral symmetry breaking in the organic material in the interstellar medium. The major process would involve either {bar {ital v}}{sub {ital e}} from a supernova explosion or the {ital Al}{sup 26} produced in the debris in conjunction with the weak neutral current process. Both give rise to chiral positrons and interactions with the organic material in the prebiotic medium. We describe some possible tests of this concept. We note that in this picture, all life forms in the Universe based on hydrocarbons should have the same chiral structure. {copyright} {ital 1996 American Institute of Physics.}

  16. Using Metal Complex Ion-Molecule Reactions in a Miniature Rectilinear Ion Trap Mass Spectrometer to Detect Chemical Warfare Agents

    Science.gov (United States)

    Graichen, Adam M.; Vachet, Richard W.

    2013-06-01

    The gas-phase reactions of a series of coordinatively unsaturated [Ni(L)n]y+ complexes, where L is a nitrogen-containing ligand, with chemical warfare agent (CWA) simulants in a miniature rectilinear ion trap mass spectrometer were investigated as part of a new approach to detect CWAs. Results show that upon entering the vacuum system via a poly(dimethylsiloxane) (PDMS) membrane introduction, low concentrations of several CWA simulants, including dipropyl sulfide (simulant for mustard gas), acetonitrile (simulant for the nerve agent tabun), and diethyl phosphite (simulant for nerve agents sarin, soman, tabun, and VX), can react with metal complex ions generated by electrospray ionization (ESI), thereby providing a sensitive means of detecting these compounds. The [Ni(L)n]2+ complexes are found to be particularly reactive with the simulants of mustard gas and tabun, allowing their detection at low parts-per-billion (ppb) levels. These detection limits are well below reported exposure limits for these CWAs, which indicates the applicability of this new approach, and are about two orders of magnitude lower than electron ionization detection limits on the same mass spectrometer. The use of coordinatively unsaturated metal complexes as reagent ions offers the possibility of further tuning the ion-molecule chemistry so that desired compounds can be detected selectively or at even lower concentrations.

  17. Contrast formation in Kelvin probe force microscopy of single π-conjugated molecules.

    Science.gov (United States)

    Schuler, Bruno; Liu, Shi-Xia; Geng, Yan; Decurtins, Silvio; Meyer, Gerhard; Gross, Leo

    2014-06-11

    We report the contrast formation in the local contact potential difference (LCPD) measured by Kelvin probe force microscopy (KPFM) on single charge-transfer complexes (CTCs) on a NaCl bilayer on Cu(111). At different tip heights, we found quantitatively different LCPD contrasts that characterize different properties of the molecule. In the small distance regime, the tip penetrates the electron density of the molecule, and the contrast is related to the size and topography of the electron shell of the molecule. For larger distances, the LCPD contrast corresponds to the electrostatic field above the molecule. However, in the medium-distance regime, that is, for tip heights similar to the size of the molecule, the nonspherical distribution of π- and σ-electrons often conceals the effect of the partial charges within the molecule. Only for large distances does the LCPD map converge toward the simple field of a dipole for a polar molecule.

  18. Formation and recondensation of complex organic molecules during protostellar luminosity outbursts

    CERN Document Server

    Taquet, Vianney; Charnley, Steven B

    2016-01-01

    During the formation of stars, the accretion of the surrounding material toward the central object is thought to undergo strong luminosity outbursts, followed by long periods of relative quiescence, even at the early stages of star formation when the protostar is still embedded in a large envelope. We investigated the gas phase formation and the recondensation of the complex organic molecules (COMs) di-methyl ether and methyl formate, induced by sudden ice evaporation processes occurring during luminosity outbursts of different amplitudes in protostellar envelopes. For this purpose, we updated a gas phase chemical network forming complex organic molecules in which ammonia plays a key role. The model calculations presented here demonstrate that ion-molecule reactions alone could account for the observed presence of di-methyl ether and methyl formate in a large fraction of protostellar cores, without recourse to grain-surface chemistry, although they depend on uncertain ice abundances and gas phase reaction bra...

  19. Heterogeneous saline formations for carbon dioxide disposal. Impact of varying heterogeneity on containment and trapping

    Energy Technology Data Exchange (ETDEWEB)

    Flett, Matthew [Chevron Australia Pty. Ltd. Perth (Australia); Department of Petroleum Engineering, Curtin University of Technology, Perth (Australia); Gurton, Randal [Chevron Australia Pty. Ltd. Perth (Australia); Weir, Geoff [Department of Petroleum Engineering, Curtin University of Technology, Perth (Australia)

    2007-05-15

    Natural gas fields often contain carbon dioxide in their reservoir fluids. Exploitation of these resources requires the removal of carbon dioxide from produced fluids to meet quality standards for sale into a domestic market or for the processing of the gas into LNG. To limit the atmospheric emissions of carbon dioxide, a major greenhouse gas, it has been proposed that one method of abatement could be to inject the CO{sub 2} into deep saline formations. This study shows that the selection process for identifying appropriate saline formations should not only consider their size and permeability but should also consider their degree of heterogeneity. To this end, notional yet realistic geological marine sand models were constructed, on an areal scale of 50 km{sup 2}, to examine the effects of reservoir heterogeneity on the migration and storage of a 50 million tonne plume over a time scale of 1000 yrs. The models were identical in geometry and in their distribution of porosity and permeability but were individually populated with facies realisations for different net-to-gross ratios. Standard geostatistical techniques were used to generate the various distributions. With regard to the shale content, the ratio of sand to shale was varied from 100:0 (i.e. homogeneous) to 40:60. A radial shale variogram, with a length of 300 m, was used. The models were up-scaled, using flow-based methods, to make the computation feasible. A set of metrics were developed and used to compare plume migration (both vertically and laterally) and containment (through dissolution and residual phase trapping) between the various scenarios. The study showed that heterogeneity had a significant impact on the subsurface behaviour of the carbon dioxide. Increasing the shale content, corresponding to a gradual decrease in reservoir quality, progressively inhibited vertical flow of the plume whilst promoting its lateral flow. This increase in the tortuosity of the carbon dioxide migration pathways

  20. Cytokines induced neutrophil extracellular traps formation: implication for the inflammatory disease condition.

    Directory of Open Access Journals (Sweden)

    Ravi S Keshari

    Full Text Available Neutrophils (PMNs and cytokines have a critical role to play in host defense and systemic inflammatory response syndrome (SIRS. Neutrophil extracellular traps (NETs have been shown to extracellularly kill pathogens, and inflammatory potential of NETs has been shown. Microbial killing inside the phagosomes or by NETs is mediated by reactive oxygen and nitrogen species (ROS/RNS. The present study was undertaken to assess circulating NETs contents and frequency of NETs generation by isolated PMNs from SIRS patients. These patients displayed significant augmentation in the circulating myeloperoxidase (MPO activity and DNA content, while PMA stimulated PMNs from these patients, generated more free radicals and NETs. Plasma obtained from SIRS patients, if added to the PMNs isolated from healthy subjects, enhanced NETs release and free radical formation. Expressions of inflammatory cytokines (IL-1β, TNFα and IL-8 in the PMNs as well as their circulating levels were significantly augmented in SIRS subjects. Treatment of neutrophils from healthy subjects with TNFα, IL-1β, or IL-8 enhanced free radicals generation and NETs formation, which was mediated through the activation of NADPH oxidase and MPO. Pre-incubation of plasma from SIRS with TNFα, IL-1β, or IL-8 antibodies reduced the NETs release. Role of IL-1β, TNFα and IL-8 thus seems to be involved in the enhanced release of NETs in SIRS subjects.

  1. A dual cryogenic ion trap spectrometer for the formation and characterization of solvated ionic clusters

    Energy Technology Data Exchange (ETDEWEB)

    Marsh, Brett M.; Voss, Jonathan M.; Garand, Etienne, E-mail: egarand@chem.wisc.edu [Department of Chemistry, University of Wisconsin-Madison, 1101 University Avenue, Madison, Wisconsin 53706 (United States)

    2015-11-28

    A new experimental approach is presented in which two separate cryogenic ion traps are used to reproducibly form weakly bound solvent clusters around electrosprayed ions and messenger-tag them for single-photon infrared photodissociation spectroscopy. This approach thus enables the vibrational characterization of ionic clusters comprised of a solvent network around large and non-volatile ions. We demonstrate the capabilities of the instrument by clustering water, methanol, and acetone around a protonated glycylglycine peptide. For water, cluster sizes with greater than twenty solvent molecules around a single ion are readily formed. We further demonstrate that similar water clusters can be formed around ions having a shielded charge center or those that do not readily form hydrogen bonds. Finally, infrared photodissociation spectra of D{sub 2}-tagged GlyGlyH{sup +} ⋅ (H{sub 2}O){sub 1−4} are presented. They display well-resolved spectral features and comparisons with calculations reveal detailed information on the solvation structures of this prototypical peptide.

  2. Langmuir films of chiral lipid molecules and Pattern Formation .

    Science.gov (United States)

    Basnet, Prem; Mann, Elizabeth; Chaieb, Sahraoui

    2009-03-01

    Langmuir films of 1,2-bis(10,12 Tricosadiynoyl)-sn-Glycero-3-Phosphoethanolamine form spiral and target patterns when compressed between two movable barriers in a Langmuir trough above 30^0C, up to the chain-melting transition at ˜37^0C. The critical pressure, at which spirals appear, increases with temperature. The patterns themselves also depend on temperature, with single-armed spirals with many defects forming near 30^0C and defect-free target patterns at higher temperatures. The mechanism of spiral formation could be a competition among elasticity, chirality, and the boundary conditions at the core of the domains. Optical anisotropy and the growth rate of internal structures test this suggested mechanism. .

  3. Simulating the Formation of Carbon-rich Molecules on an idealised Graphitic Surface

    CERN Document Server

    Marshall, David W

    2015-01-01

    There is accumulating evidence for the presence of complex molecules, including carbon-bearing and organic molecules, in the interstellar medium. Much of this evidence comes to us from studies of chemical composition, photo- and mass-spectroscopy in cometary, meteoritic and asteroid samples, indicating a need to better understand the surface chemistry of astrophysical objects. There is also considerable interest in the origins of life-forming and life-sustaining molecules on Earth. Here, we perform reactive molecular dynamics simulations to probe the formation of carbon-rich molecules and clusters on carbonaceous surfaces resembling dust grains and meteoroids. Our results show that large chains form on graphitic surfaces at low temperatures (100K - 500K) and smaller fullerene-like molecules form at higher temperatures (2000K - 3000K). The formation is faster on the surface than in the gas at low temperatures but slower at high temperatures as surface interactions prevent small clusters from coagulation. We fi...

  4. Role of trapped air in the formation of cell-and-protein micropatterns on superhydrophobic/superhydrophilic microtemplated surfaces.

    Science.gov (United States)

    Huang, Qiaoling; Lin, Longxiang; Yang, Yun; Hu, Ren; Vogler, Erwin A; Lin, Changjian

    2012-11-01

    Air trapped within the interstices of TiO(2) nanotube surfaces bearing superhydrophobic/superhydrophilic microtemplated domains controls formation of protein micropatterns but not cell micropatterns. Protein binding from either bovine-serum albumin (BSA) or fetal-bovine serum (FBS) solutions to superhydrophobic domains is blocked in the presence of trapped air, leading to clear protein binding contrast between superhydrophilic and superhydrophobic domains. Protein binds to superhydrophobic domains when air is displaced by sonication, leading to more protein binding to superhydrophobic domains than to superhydrophilic, with concomitantly blurred protein binding contrast. The overall contrast obtained in formation of cell (hFOB1.19, MG63, and HeLa) micropatterns depends on the cell type and protein composition of the fluid phase. All cell types preferentially attach to superhydrophilic domains from each fluid phase tested (FBS, BSA, and basal media containing no protein). All cell types do not attach to superhydrophobic domains from FBS solutions, with-or-without trapped air, creating a visually-obvious cell attachment pattern. However, cells attached to superhydrophobic domains from basal media suspensions, with-or-without trapped air, creating a blurred cell attachment pattern. Cell attachment from BSA-containing solutions gave mixed results depending on cell type. Thus, trapped air does not necessarily block cell attachment as has been suggested in the literature. Rather, cell attachment is controlled by interfacial tensions between cells, surfaces, and fluid phases in a manner that can be understood in terms of the Dupré work-of-adhesion formulation. Cell attachment patterns developed within the initial attachment phase persist for up to two days of continuous culture but overgrow thereafter, with-or-without trapped air, showing that trapped air does not block cell overgrowth over time of continuous culture. Copyright © 2012 Elsevier Ltd. All rights reserved.

  5. Formation of self-assembled monolayer of curcuminoid molecules on gold surfaces

    Science.gov (United States)

    Berlanga, Isadora; Etcheverry-Berríos, Álvaro; Mella, Andy; Jullian, Domingo; Gómez, Victoria Alejandra; Aliaga-Alcalde, Núria; Fuenzalida, Victor; Flores, Marcos; Soler, Monica

    2017-01-01

    We investigated the formation of self-assembled monolayers of two thiophene curcuminoid molecules, 2-thphCCM (1) and 3-thphCCM (2), on polycrystalline gold substrates prepared by immersion of the surfaces in a solution of the molecules during 24 h. The functionalized surfaces were studied by scanning tunneling microscopy (STM) and X-ray photoelectron spectroscopy (XPS). Despite the fact that both molecules have the same composition and almost the same structure, these molecules exhibit different behavior on the gold surface, which can be explained by the different positions of the sulfur atoms in the terminal aromatic rings. In the case of molecule 1, the complete formation of a SAM can be observed after 24 h of immersion. In the case of molecule 2, the transition from flat-lying to upright configuration on the surface is still in process after 24 h of immersion. This is attributed to the fact that molecule 2 have the sulfur atoms more exposed than molecule 1.

  6. Planetesimal formation in self-gravitating discs -- dust trapping by vortices

    CERN Document Server

    Gibbons, P G; Rice, W K M

    2015-01-01

    The mechanism through which meter-sized boulders grow to km-sized planetesimals in protoplanetary discs is a subject of active research, since it is critical for planet formation. To avoid spiralling into the protostar due to aerodynamic drag, objects must rapidly grow from cm-sized pebbles, which are tightly coupled to the gas, to large boulders of 1-100m in diameter. It is already well known that over-densities in the gaseous component of the disc provide potential sites for the collection of solids, and that significant density structures in the gaseous component of the disc (e.g., spiral density waves) can trap solids efficiently enough for the solid component of the disc to undergo further gravitational collapse due to their own self-gravity. In this work, we employ the PENCIL CODE to conduct local shearing sheet simulations of massive self-gravitating protoplanetary discs, to study the effect of anticyclonic transient vortices, or eddies, on the evolution of solids in these discs. We find that these typ...

  7. Planet Traps and First Planets: the Critical Metallicity for Gas Giant Formation

    CERN Document Server

    Hasegawa, Yasuhiro

    2014-01-01

    The ubiquity of planets poses an interesting question: when first planets are formed in galaxies. We investigate this problem by adopting a theoretical model developed for understanding the statistical properties of exoplanets. Our model is constructed as the combination of planet traps with the standard core accretion scenario in which the efficiency of forming planetary cores directly relates to the dust density in disks or the metallicity ([Fe/H]). We statistically compute planet formation frequencies (PFFs) as well as the orbital radius ($$) within which gas accretion becomes efficient enough to form Jovian planets. The three characteristic exoplanetary populations are considered: hot Jupiters, exo-Jupiters densely populated around 1 AU, and low-mass planets such as super-Earths. We explore the behavior of the PFFs as well as $$ for the three different populations as a function of metallicity ($-2 \\leq$[Fe/H]$\\leq -0.6$). We show that the total PFFs increase steadily with metallicity, which is the direct ...

  8. Inhibition of positronium formation by nitroso spin trap scavengers in methanol-water mixed solvents

    Energy Technology Data Exchange (ETDEWEB)

    Levay, Bela [Department of Nuclear Chemistry, Eoetvoes Lorand University, Budapest (Hungary)]. E-mail: levay@para.chem.elte.hu; Boros, Marton [Department of Nuclear Chemistry, Eoetvoes Lorand University, Budapest (Hungary)

    2004-10-25

    The positron annihilation lifetime spectroscopy (PALS) is used to study the effect of nitroso spin trap scavengers on the positronium (Ps) yields in methanol-water mixed solvents. Nitrosobenzene (NOB), N,N-dimethyl-4-nitroso-aniline (DMNA) and tert-nitroso-butane (tNOBu) are investigated. These compounds have been found to be good Ps inhibitors. The numerical values of the Ps inhibition coefficients ({sigma}) exhibit similar trend to those of the reaction rate constants of o-Ps (k{sub p}) and solvated electron (k{sub e}) for the same compounds and increase in the same order: tNOBuDMNANOB. Solvent composition dependence of {sigma} for both DMNA and NOB shows strong correlation with that of the reaction of es- with nitrobenzene, that is a scavenger similar to NOB. The Ps inhibition capacity of nitroso compounds decreases with increasing temperature reflecting that the activation energy of the Ps formation reaction is greater than that of the electron scavenging one.

  9. Respiratory syncytial virus fusion protein promotes TLR-4-dependent neutrophil extracellular trap formation by human neutrophils.

    Directory of Open Access Journals (Sweden)

    Giselle A Funchal

    Full Text Available Acute viral bronchiolitis by Respiratory Syncytial Virus (RSV is the most common respiratory illness in children in the first year of life. RSV bronchiolitis generates large numbers of hospitalizations and an important burden to health systems. Neutrophils and their products are present in the airways of RSV-infected patients who developed increased lung disease. Neutrophil Extracellular Traps (NETs are formed by the release of granular and nuclear contents of neutrophils in the extracellular space in response to different stimuli and recent studies have proposed a role for NETs in viral infections. In this study, we show that RSV particles and RSV Fusion protein were both capable of inducing NET formation by human neutrophils. Moreover, we analyzed the mechanisms involved in RSV Fusion protein-induced NET formation. RSV F protein was able to induce NET release in a concentration-dependent fashion with both neutrophil elastase and myeloperoxidase expressed on DNA fibers and F protein-induced NETs was dismantled by DNase treatment, confirming that their backbone is chromatin. This viral protein caused the release of extracellular DNA dependent on TLR-4 activation, NADPH Oxidase-derived ROS production and ERK and p38 MAPK phosphorylation. Together, these results demonstrate a coordinated signaling pathway activated by F protein that led to NET production. The massive production of NETs in RSV infection could aggravate the inflammatory symptoms of the infection in young children and babies. We propose that targeting the binding of TLR-4 by F protein could potentially lead to novel therapeutic approaches to help control RSV-induced inflammatory consequences and pathology of viral bronchiolitis.

  10. Formation of ultracold LiRb molecules by photoassociation near the Li(2s 2S1/2) + Rb(5p 2P1/2) asymptote

    Science.gov (United States)

    Dutta, Sourav; Elliott, Daniel S.; Chen, Yong P.

    2013-12-01

    We report the production of ultracold 7Li85Rb molecules by photoassociation (PA) below the Li (2s 2S1/2) + Rb(5p 2P1/2) asymptote. We perform PA spectroscopy in a dual-species 7Li-85Rb magneto-optical trap (MOT) and detect the PA resonances using trap loss spectroscopy. We observe several strong PA resonances corresponding to the last few bound states, assign the lines and derive the long-range C6 dispersion coefficients for the Li (2s 2S1/2) + Rb(5p 2P1/2) asymptote. We also report an excited-state molecule formation rate (P_{\\textit{LiRb}}) of {\\sim}10^{7}\\ \\text{s}^{-1} and a PA rate coefficient (K_{PA}) of {\\sim}4\\times10^{-11}\\ \\text{cm}^3/\\text{s} , which are both among the highest observed for heteronuclear bi-alkali molecules. These suggest that PA is a promising route for the creation of ultracold ground-state LiRb molecules.

  11. Formation of ultracold LiRb molecules by photoassociation near the Li (2s 2S1/2) + Rb (5p 2P1/2) asymptote

    CERN Document Server

    Dutta, Sourav; Chen, Yong P

    2013-01-01

    We report the production of ultracold 7Li85Rb molecules by photoassociation (PA) below the Li (2s 2S1/2) + Rb (5p 2P1/2) asymptote. We perform PA spectroscopy in a dual-species 7Li-85Rb magneto-optical trap (MOT) and detect the PA resonances using trap loss spectroscopy. We observe several strong PA resonances corresponding to the last few bound states, assign the lines and derive the long range C6 dispersion coefficients for the Li (2s 2S1/2) + Rb (5p 2P1/2) asymptote. We also report an excited-state molecule formation rate (P_LiRb) of ~10^7 s^-1 and a PA rate coefficient (K_PA) of ~4x10^-11 cm^3/s, which are both among the highest observed for heteronuclear bi-alkali molecules. These suggest that PA is a promising route for the creation of ultracold ground state LiRb molecules.

  12. Simulating the formation of carbon-rich molecules on an idealized graphitic surface

    Science.gov (United States)

    Marshall, David W.; Sadeghpour, H. R.

    2016-01-01

    There is accumulating evidence for the presence of complex molecules, including carbon-bearing and organic molecules, in the interstellar medium. Much of this evidence comes to us from studies of chemical composition, photo- and mass spectroscopy in cometary, meteoritic and asteroid samples, indicating a need to better understand the surface chemistry of astrophysical objects. There is also considerable interest in the origins of life-forming and life-sustaining molecules on the Earth. Here, we perform reactive molecular dynamics simulations to probe the formation of carbon-rich molecules and clusters on carbonaceous surfaces resembling dust grains and meteoroids. Our results show that large chains form on graphitic surfaces at low temperatures (100-500 K) and smaller fullerene-like molecules form at higher temperatures (2000-3000 K). The formation is faster on the surface than in the gas at low temperatures but slower at high temperatures as surface interactions prevent small clusters from coagulation. We find that for efficient formation of molecular complexity, mobility about the surface is important and helps to build larger carbon chains on the surface than in the gas phase at low temperatures. Finally, we show that the temperature of the surface strongly determines what kind of structures forms and that low turbulent environments are needed for efficient formation.

  13. Muon cycling rate in D/T mixture including doubly muonic molecule formation

    Directory of Open Access Journals (Sweden)

    M. R. Eskandari

    2002-06-01

    Full Text Available   In the present work, the fundamental behavior of four body molecule formations of pt μμ , pd μμ , dt μμ , tt μμ , and pp μμ in a D/T fusion are considered. Their higher fusion rate, specially the available data for dt μμ , encouraged us to study the muon cycling rate in D/T fusion in the temperature range of (100-1400 K, density and deuterium-tritium concentration ratio. For this purpose, various values for the doubly muonic molecule formation are chosen and with the comparison to the experimental results, the doubly muonic formation rate of 109 s-1 is predicted theoretically. Our calculated cycling rate has shown that having not considered the doubly muonic formation in previous calculations had made no serious changes in the previously calculated values.

  14. Empirical Method for the Prediction of Heat of Formation of Organic High Energy Molecules

    Directory of Open Access Journals (Sweden)

    Sushanta Das

    2006-04-01

    Full Text Available An empirical method based on additive procedures is proposed for estimating the heats offormation of aliphatic, aromatic, and ring molecules containing nitro and other energetic groupsat standard state. The method uses only molecular structural information. Calculation of heatof formation is carried out in three stages, first the heat of formation for gaseous state is calculated,followed by incorporation of heat of vapourisation/sublimation, and finally, corrections are donefor interactions. Some interaction terms, based on hydrogen bonding strength for variouscompounds and experimental heat of formation of isomeric compounds, are also proposed. Theresults are in good agreement with the experimentally determined values. The method providesquick and sufficiently accurate values of heat of formation of organic high energy molecules.

  15. Monitoring excimer formation of perylene dye molecules within PMMA-based nanofiber via FLIM method

    Science.gov (United States)

    Inci, Mehmet Naci; Acikgoz, Sabriye; Demir, Mustafa Muamer

    2016-04-01

    Confocal fluorescence lifetime imaging microscopy method is used to obtain individual fluorescence intensity and lifetime values of aromatic Perylene dye molecules encapsulated into PMMA based nanofibers. Fluorescence spectrum of aromatic hydrocarbon dye molecules, like perylene, depends on the concentration of dye molecules and these dye molecules display an excimeric emission band besides monomeric emission bands. Due to the dimension of a nanofiber is comparable to the monomer emission wavelength, the presence of nanofibers does not become effective on the decay rates of a single perylene molecule and its lifetime remains unchanged. When the concentration of perylene increases, molecular motion of the perylene molecule is restricted within nanofibers so that excimer emission arises from the partially overlapped conformation. As compared to free excimer emission of perylene, time-resolved experiments show that the fluorescence lifetime of excimer emission of perylene, which is encapsulated into NFs, gets shortened dramatically. Such a decrease in the lifetime is measured to be almost 50 percent, which indicates that the excimer emission of perylene molecules is more sensitive to change in the surrounding environment due to its longer wavelength. Fluorescence lifetime measurements are typically used to confirm the presence of excimers and to construct an excimer formation map of these dye molecules.

  16. Formation of clusters composed of C60 molecules via self-assembly in critical fluids

    Science.gov (United States)

    Fukuda, Takahiro; Ishii, Koji; Kurosu, Shunji; Whitby, Raymond; Maekawa, Toru

    2007-04-01

    Fullerenes are promising candidates for intelligent, functional nanomaterials because of their unique mechanical, electronic and chemical properties. However, it is necessary to invent some efficient but relatively simple methods of producing structures composed of fullerenes for the development of nanomechatronic, nanoelectronic and biochemical devices and sensors. In this paper, we show that various structures such as straight fibres, networks formed by fibres, wide sheets and helical structures, which are composed of C60 molecules, are created by placing C60-crystals in critical ethane, carbon dioxide and xenon even though C60 molecules do not dissolve or disperse in the above fluids. It is supposed, judging by the intermolecular potentials between C60 and C60, between C60 and ethane, and between ethane and ethane, that C60-clusters grow with the assistance of solvent molecules, which are trapped between C60 molecules under critical conditions. This room-temperature self-assembly cluster growth process in critical fluids may open up a new methodology of forming structures built up with fullerenes without the need for any ultra-fine processing technologies.

  17. Effects of Aggregatibacter actinomycetemcomitans leukotoxin on neutrophil migration and extracellular trap formation

    Directory of Open Access Journals (Sweden)

    Josefine Hirschfeld

    2016-11-01

    Full Text Available Background: Aggressive periodontitis is associated with the presence of Aggregatibacter actinomycetemcomitans, a leukotoxin (Ltx-producing periodontal pathogen. Ltx has the ability to lyse white blood cells including neutrophils. Objectives: This study was aimed at investigating the interactions between neutrophils and Ltx with regard to the chemotactic properties of Ltx and the release of neutrophil extracellular traps (NETs. Methods: Neutrophils from healthy blood donors were isolated and incubated for 30 min and 3 h with increasing concentrations of Ltx (1, 10, and 100 ng/mL as well as with A. actinomycetemcomitans strains (NCTC 9710 and HK 1651 producing different levels of Ltx. Formation of NETs and cell lysis were assessed by microscopy, fluorescence-based assays, and measurement of released lactate dehydrogenase. Neutrophil migration in response to different Ltx gradients was monitored by real-time video microscopy, and image analysis was performed using ImageJ software. Results: Although Ltx (10 and 100 ng/mL and the leukotoxic A. actinomycetemcomitans strain HK 1651 lysed some neutrophils, other cells were still capable of performing NETosis in a concentration-dependent manner. Low doses of Ltx and the weakly leukotoxic strain NCTC 9710 did not lead to neutrophil lysis, but did induce some NETosis. Furthermore, all three concentrations of Ltx enhanced random neutrophil movement; however, low directional accuracy was observed compared with the positive control (fMLP. Conclusions: The results indicate that Ltx acts both as a neutrophil activator and also causes cell death. In addition, Ltx directly induces NETosis in neutrophils prior to cell lysis. In future studies, the underlying pathways involved in Ltx-meditated neutrophil activation and NETosis need to be investigated further.

  18. Effects of Aggregatibacter actinomycetemcomitans leukotoxin on neutrophil migration and extracellular trap formation

    Science.gov (United States)

    Hirschfeld, Josefine; Roberts, Helen M.; Chapple, Iain L. C.; Parčina, Marijo; Jepsen, Søren; Johansson, Anders; Claesson, Rolf

    2016-01-01

    Background Aggressive periodontitis is associated with the presence of Aggregatibacter actinomycetemcomitans, a leukotoxin (Ltx)-producing periodontal pathogen. Ltx has the ability to lyse white blood cells including neutrophils. Objectives This study was aimed at investigating the interactions between neutrophils and Ltx with regard to the chemotactic properties of Ltx and the release of neutrophil extracellular traps (NETs). Methods Neutrophils from healthy blood donors were isolated and incubated for 30 min and 3 h with increasing concentrations of Ltx (1, 10, and 100 ng/mL) as well as with A. actinomycetemcomitans strains (NCTC 9710 and HK 1651) producing different levels of Ltx. Formation of NETs and cell lysis were assessed by microscopy, fluorescence-based assays, and measurement of released lactate dehydrogenase. Neutrophil migration in response to different Ltx gradients was monitored by real-time video microscopy, and image analysis was performed using ImageJ software. Results Although Ltx (10 and 100 ng/mL) and the leukotoxic A. actinomycetemcomitans strain HK 1651 lysed some neutrophils, other cells were still capable of performing NETosis in a concentration-dependent manner. Low doses of Ltx and the weakly leukotoxic strain NCTC 9710 did not lead to neutrophil lysis, but did induce some NETosis. Furthermore, all three concentrations of Ltx enhanced random neutrophil movement; however, low directional accuracy was observed compared with the positive control (fMLP). Conclusions The results indicate that Ltx acts both as a neutrophil activator and also causes cell death. In addition, Ltx directly induces NETosis in neutrophils prior to cell lysis. In future studies, the underlying pathways involved in Ltx-meditated neutrophil activation and NETosis need to be investigated further. PMID:27834173

  19. Pressure-voltage trap for DNA near a solid-state nanopore.

    Science.gov (United States)

    Hoogerheide, David P; Lu, Bo; Golovchenko, Jene A

    2014-07-22

    We report the formation of a tunable single DNA molecule trap near a solid-state nanopore in an electrolyte solution under conditions where an electric force and a pressure-induced viscous flow force on the molecule are nearly balanced. Trapped molecules can enter the pore multiple times before escaping the trap by passing through the pore or by diffusing away. Statistical analysis of many individually trapped molecules yields a detailed picture of the fluctuation phenomena involved, which are successfully modeled by a one-dimensional first passage approach.

  20. Prebiotic molecules formation through the gas-phase reaction between HNO and CH2CHOH2+

    Science.gov (United States)

    Redondo, Pilar; Martínez, Henar; Largo, Antonio; Barrientos, Carmen

    2017-07-01

    Context. Knowing how the molecules that are present in the ISM can evolve to more complex ones is an interesting topic in interstellar chemistry. The study of possible reactions between detected species can help to understand the evolution in complexity of the interstellar matter and also allows knowing the formation of new molecules which could be candidates to be detected. We focus our attention on two molecules detected in space, vinyl alcohol (CH2CHOH) and azanone (HNO). Aims: We aim to carry out a theoretical study of the ion-molecule reaction between protonated vinyl alcohol and azanone. The viability of formation of complex organic molecules (COMs) from these reactants is expected to provide some insight into the formation of prebiotic species through gas phase reactions. Methods: The reaction of protonated vinyl alcohol with azanone has been theoretically studied by using ab initio methods. Stationary points on the potential energy surface (PES) were characterized at the second-order Moller-Plesset level in conjunction with the aug-cc-pVTZ (correlation-consistent polarized valence triple-zeta) basis set. In addition, the electronic energies were refined by means of single-point calculations at the CCSD(T) level (coupled cluster single and double excitation model augmented with a non-iterative treatment of triple excitations) with the same basis set. Results: From a thermodynamic point of view, twelve products, composed of carbon, oxygen, nitrogen, and hydrogen which could be precursors in the formation of more complex biological molecules, can be obtained from this reaction. Among these, we focus especially on ionized glycine and two of its isomers. The analysis of the PES shows that only formation of cis- and trans-O-protonated imine acetaldehyde, CH2NHCOH+ and, CHNHCHOH+, are viable under interstellar conditions. Conclusions: The reaction of protonated vinyl alcohol with azanone can evolve in the interstellar medium to more complex organic molecules of

  1. Low-Frequency Electromagnetic Field Exposure Enhances Extracellular Trap Formation by Human Neutrophils through the NADPH Pathway.

    Science.gov (United States)

    Golbach, Lieke A; Scheer, Marleen H; Cuppen, Jan J M; Savelkoul, Huub; Verburg-van Kemenade, B M Lidy

    2015-01-01

    Low-frequency (LF) electromagnetic fields (EMFs) are abundantly present in modern society, and the potential biological consequences of exposure to these fields are under intense debate. Immune cells are suggested as possible target cells, though a clear mechanism is lacking. Considering their crucial role in innate immune activation, we selected an ex vivo exposure set-up with human neutrophils to investigate a possible correlation between neutrophil extracellular trap (NET) formation and LF EMF exposure. Our study shows that formation of NETs is enhanced by LF EMF exposure. Enhanced NET formation leads to increased antimicrobial properties as well as damage to surrounding cells. We found that LF-EMF-induced NET formation is dependent on the NADPH oxidase pathway and production of reactive oxygen species. Additionally, LF EMF exposure does not influence autophagy and PAD4 activity. Our study provides a mechanism by which exposure to LF EMFs could influence the innate immune system.

  2. Donor-Acceptor Properties of a Single-Molecule Altered by On-Surface Complex Formation.

    Science.gov (United States)

    Meier, Tobias; Pawlak, Rémy; Kawai, Shigeki; Geng, Yan; Liu, Xunshan; Decurtins, Silvio; Hapala, Prokop; Baratoff, Alexis; Liu, Shi-Xia; Jelínek, Pavel; Meyer, Ernst; Glatzel, Thilo

    2017-08-22

    Electron donor-acceptor molecules are of outstanding interest in molecular electronics and organic solar cells for their intramolecular charge transfer controlled via electrical or optical excitation. The preservation of their electronic character in the ground state upon adsorption on a surface is cardinal for their implementation in such single-molecule devices. Here, we investigate by atomic force microscopy and scanning tunneling microscopy a prototypical system consisting of a π-conjugated tetrathiafulvalene-fused dipyridophenazine molecule adsorbed on thin NaCl films on Cu(111). Depending on the adsorption site, the molecule is found either in a nearly undisturbed free state or in a bound state. In the latter case, the molecule adopts a specific adsorption site, leading to the formation of a chelate complex with a single Na(+) alkali cation pulled out from the insulating film. Although expected to be electronically decoupled, the charge distribution of the complex is drastically modified, leading to the loss of the intrinsic donor-acceptor character. The chelate complex formation is reversible with respect to lateral manipulations, enabling tunable donor-acceptor molecular switches activated by on-surface coordination.

  3. CARBON DIOXIDE INFLUENCE ON THE THERMAL FORMATION OF COMPLEX ORGANIC MOLECULES IN INTERSTELLAR ICE ANALOGS

    Energy Technology Data Exchange (ETDEWEB)

    Vinogradoff, V.; Fray, N.; Bouilloud, M.; Cottin, H. [LISA Laboratoire Interuniversitaire des Systèmes Atmosphériques, UMR CNRS 7583, Université Paris Est Créteil (UPEC), Université Paris Diderot (UPD), Institut Pierre Simon Laplace, Labex ESEP, Paris (France); Duvernay, F.; Chiavassa, T., E-mail: vvinogradoff@mnhn.fr [PIIM, Laboratoire de Physique des Interactions Ioniques et Moléculaires, Université Aix-Marseille, UMR CNRS 7345, Marseille (France)

    2015-08-20

    Interstellar ices are submitted to energetic processes (thermal, UV, and cosmic-ray radiations) producing complex organic molecules. Laboratory experiments aim to reproduce the evolution of interstellar ices to better understand the chemical changes leading to the reaction, formation, and desorption of molecules. In this context, the thermal evolution of an interstellar ice analogue composed of water, carbon dioxide, ammonia, and formaldehyde is investigated. The ice evolution during the warming has been monitored by IR spectroscopy. The formation of hexamethylenetetramine (HMT) and polymethylenimine (PMI) are observed in the organic refractory residue left after ice sublimation. A better understanding of this result is realized with the study of another ice mixture containing methylenimine (a precursor of HMT) with carbon dioxide and ammonia. It appears that carbamic acid, a reaction product of carbon dioxide and ammonia, plays the role of catalyst, allowing the reactions toward HMT and PMI formation. This is the first time that such complex organic molecules (HMT, PMI) are produced from the warming (without VUV photolysis or irradiation with energetic particles) of abundant molecules observed in interstellar ices (H{sub 2}O, NH{sub 3}, CO{sub 2}, H{sub 2}CO). This result strengthens the importance of thermal reactions in the ices’ evolution. HMT and PMI, likely components of interstellar ices, should be searched for in the pristine objects of our solar system, such as comets and carbonaceous chondrites.

  4. Rovibrational Formation of Ultracold NaH Molecules Induced by an Ultrashort Laser Pulse

    Institute of Scientific and Technical Information of China (English)

    SU Qian-Zhen; YU Jie; NIU Ying-Yu; CONG Shu-Lin

    2010-01-01

    @@ The formation of the NaH molecule from unaligned ultracold atoms via photoassociation (PA) is theoretically investigated by numerically solving the time-dependent Schr(o)dinger equation including the vibrational and rotational degrees of freedom.The PA processes via one- and two-photon excitations are described.The calculated results show that the associated molecule can be prepared to a desired rovibrational state of the ground electronic state for Nail.Compared with the one-photon association probability,the two-photon association probability is obviously enhanced.

  5. Anomalous approach to thermodynamic equilibrium: Structure formation of molecules after vapor deposition

    Science.gov (United States)

    Jana, Pritam Kumar; Wang, Can; Jack, Robert L.; Chi, Lifeng; Heuer, Andreas

    2015-11-01

    We describe experiments and computer simulations of molecular deposition on a substrate in which the molecules (substituted adenine derivatives) self-assemble into ordered structures. The resulting structures depend strongly on the deposition rate (flux). In particular, there are two competing surface morphologies (α and β ), which differ by their topology (interdigitated vs lamellar structure). Experimentally, the α phase dominates at both low and high flux, with the β phase being most important in the intermediate regime. A similar nonmonotonic behavior is observed on varying the substrate temperature. To understand these effects from a theoretical perspective, a lattice model is devised which reproduces qualitatively the topological features of both phases. Via extensive Monte Carlo studies we can, on the one hand, reproduce the experimental results and, on the other hand, obtain a microscopic understanding of the mechanisms behind this anomalous behavior. The results are discussed in terms of an interplay between kinetic trapping and temporal exploration of configuration space.

  6. A Forward Genetic Screen for Molecules Involved in Pheromone-Induced Dauer Formation in Caenorhabditis elegans

    Science.gov (United States)

    Neal, Scott J.; Park, JiSoo; DiTirro, Danielle; Yoon, Jason; Shibuya, Mayumi; Choi, Woochan; Schroeder, Frank C.; Butcher, Rebecca A.; Kim, Kyuhyung; Sengupta, Piali

    2016-01-01

    Animals must constantly assess their surroundings and integrate sensory cues to make appropriate behavioral and developmental decisions. Pheromones produced by conspecific individuals provide critical information regarding environmental conditions. Ascaroside pheromone concentration and composition are instructive in the decision of Caenorhabditis elegans to either develop into a reproductive adult or enter into the stress-resistant alternate dauer developmental stage. Pheromones are sensed by a small set of sensory neurons, and integrated with additional environmental cues, to regulate neuroendocrine signaling and dauer formation. To identify molecules required for pheromone-induced dauer formation, we performed an unbiased forward genetic screen and identified phd (pheromone response-defective dauer) mutants. Here, we describe new roles in dauer formation for previously identified neuronal molecules such as the WD40 domain protein QUI-1 and MACO-1 Macoilin, report new roles for nociceptive neurons in modulating pheromone-induced dauer formation, and identify tau tubulin kinases as new genes involved in dauer formation. Thus, phd mutants define loci required for the detection, transmission, or integration of pheromone signals in the regulation of dauer formation. PMID:26976437

  7. A Forward Genetic Screen for Molecules Involved in Pheromone-Induced Dauer Formation in Caenorhabditis elegans

    Directory of Open Access Journals (Sweden)

    Scott J. Neal

    2016-05-01

    Full Text Available Animals must constantly assess their surroundings and integrate sensory cues to make appropriate behavioral and developmental decisions. Pheromones produced by conspecific individuals provide critical information regarding environmental conditions. Ascaroside pheromone concentration and composition are instructive in the decision of Caenorhabditis elegans to either develop into a reproductive adult or enter into the stress-resistant alternate dauer developmental stage. Pheromones are sensed by a small set of sensory neurons, and integrated with additional environmental cues, to regulate neuroendocrine signaling and dauer formation. To identify molecules required for pheromone-induced dauer formation, we performed an unbiased forward genetic screen and identified phd (pheromone response-defective dauer mutants. Here, we describe new roles in dauer formation for previously identified neuronal molecules such as the WD40 domain protein QUI-1 and MACO-1 Macoilin, report new roles for nociceptive neurons in modulating pheromone-induced dauer formation, and identify tau tubulin kinases as new genes involved in dauer formation. Thus, phd mutants define loci required for the detection, transmission, or integration of pheromone signals in the regulation of dauer formation.

  8. A Forward Genetic Screen for Molecules Involved in Pheromone-Induced Dauer Formation in Caenorhabditis elegans.

    Science.gov (United States)

    Neal, Scott J; Park, JiSoo; DiTirro, Danielle; Yoon, Jason; Shibuya, Mayumi; Choi, Woochan; Schroeder, Frank C; Butcher, Rebecca A; Kim, Kyuhyung; Sengupta, Piali

    2016-05-03

    Animals must constantly assess their surroundings and integrate sensory cues to make appropriate behavioral and developmental decisions. Pheromones produced by conspecific individuals provide critical information regarding environmental conditions. Ascaroside pheromone concentration and composition are instructive in the decision of Caenorhabditis elegans to either develop into a reproductive adult or enter into the stress-resistant alternate dauer developmental stage. Pheromones are sensed by a small set of sensory neurons, and integrated with additional environmental cues, to regulate neuroendocrine signaling and dauer formation. To identify molecules required for pheromone-induced dauer formation, we performed an unbiased forward genetic screen and identified phd (pheromone response-defective dauer) mutants. Here, we describe new roles in dauer formation for previously identified neuronal molecules such as the WD40 domain protein QUI-1 and MACO-1 Macoilin, report new roles for nociceptive neurons in modulating pheromone-induced dauer formation, and identify tau tubulin kinases as new genes involved in dauer formation. Thus, phd mutants define loci required for the detection, transmission, or integration of pheromone signals in the regulation of dauer formation.

  9. Signal Inhibitory Receptor on Leukocytes-1 Limits the Formation of Neutrophil Extracellular Traps, but Preserves Intracellular Bacterial Killing.

    Science.gov (United States)

    Van Avondt, Kristof; van der Linden, Maarten; Naccache, Paul H; Egan, David A; Meyaard, Linde

    2016-05-01

    In response to microbial invasion, neutrophils release neutrophil extracellular traps (NETs) to trap and kill extracellular microbes. Alternatively, NET formation can result in tissue damage in inflammatory conditions and may perpetuate autoimmune disease. Intervention strategies that are aimed at modifying pathogenic NET formation should ideally preserve other neutrophil antimicrobial functions. We now show that signal inhibitory receptor on leukocytes-1 (SIRL-1) attenuates NET release by human neutrophils in response to distinct triggers, including opsonized Staphylococcus aureus and inflammatory danger signals. NET release has different kinetics depending on the stimulus, and rapid NET formation is independent of NADPH oxidase activity. In line with this, we show that NET release and reactive oxygen species production upon challenge with opsonized S. aureus require different signaling events. Importantly, engagement of SIRL-1 does not affect bacterially induced production of reactive oxygen species, and intracellular bacterial killing by neutrophils remains intact. Thus, our studies define SIRL-1 as an intervention point of benefit to suppress NET formation in disease while preserving intracellular antimicrobial defense.

  10. Organic materials irradiated at very low temperature and at different stopping powers: examples of polyethylene and of cyclohexane molecules trapped in matrix; Materiaux organiques irradies a tres basse temperature et a differents pouvoirs d'arret: cas du polyethylene et des molecules de cyclohexane isolees en matrice

    Energy Technology Data Exchange (ETDEWEB)

    Melot, M

    2003-10-15

    This thesis concerns the formation mechanisms of defects created in organic materials during irradiation under vacuum, at very low temperature and at different electronic stopping powers. Analysis have been realised by infrared spectroscopy. The first part concerns polyethylene. Irradiating at 8 K allows to dissociate the direct irradiation effects (in cage reactions) and the radical recombination effects. According to the considered chemical groups, the radical mobility leads to very different changes for the formation radiochemical yields. The second part concerns the irradiation of cyclohexane molecules trapped in a solid argon matrix. We evaluate the contribution of intermolecular and intramolecular reactions. The intermolecular reactions have limited consequences when using low ionising radiations but are crucial for heavy ion irradiations. (author)

  11. Injection of CO2 with H2S and SO2 and Subsequent Mineral Trapping in Sandstone-Shale Formation

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Tianfu; Apps, John A.; Pruess, Karsten; Yamamoto, Hajime

    2004-09-07

    Carbon dioxide (CO{sub 2}) injection into deep geologic formations can potentially reduce atmospheric emissions of greenhouse gases. Sequestering less-pure CO{sub 2} waste streams (containing H{sub 2}S and/or SO{sub 2}) would be less expensive or would require less energy than separating CO{sub 2} from flue gas or a coal gasification process. The long-term interaction of these injected acid gases with shale-confining layers of a sandstone injection zone has not been well investigated. We therefore have developed a conceptual model of injection of CO{sub 2} with H{sub 2}S and/or SO{sub 2} into a sandstone-shale sequence, using hydrogeologic properties and mineral compositions commonly encountered in Gulf Coast sediments of the United States. We have performed numerical simulations of a 1-D radial well region considering sandstone alone and a 2-D model using a sandstone-shale sequence under acid-gas injection conditions. Results indicate that shale plays a limited role in mineral alteration and sequestration of gases within a sandstone horizon for short time periods (10,000 years in present simulations). The co-injection of SO{sub 2} results in different pH distribution, mineral alteration patterns, and CO{sub 2} mineral sequestration than the co-injection of H{sub 2}S or injection of CO{sub 2} alone. Simulations generate a zonal distribution of mineral alteration and formation of carbon and sulfur trapping minerals that depends on the pH distribution. The co-injection of SO{sub 2} results in a larger and stronger acidified zone close to the well. Precipitation of carbon trapping minerals occurs within the higher pH regions beyond the acidified zones. In contrast, sulfur trapping minerals are stable at low pH ranges (below 5) within the front of the acidified zone. Corrosion and well abandonment due to the co-injection of SO{sub 2} could be important issues. Significant CO{sub 2} is sequestered in ankerite and dawsonite, and some in siderite. The CO{sub 2} mineral-trapping

  12. Field Evaluation of Melolure, a Formate Analogue of Cuelure, and Reassessment of Fruit Fly Species Trapped in Sydney, New South Wales, Australia.

    Science.gov (United States)

    Dominiak, Bernard C; Campbell, Angus J; Jang, Eric B; Ramsey, Amanda; Fanson, Benjamin G

    2015-06-01

    In Australia, tephritids are usually attracted to either cuelure or methyl eugenol. Methyl eugenol is a very effective lure, but cuelure is less effective likely due to low volatility. A new formate analogue of cuelure, melolure, has increased volatility, resulting in improved efficacy with the melon fruit fly, Bactrocera cucurbitae Coquillett. We tested the efficacy of melolure with fruit fly species in Sydney as part of the National Exotic Fruit Fly Monitoring programme. This monitoring programme has 71 trap sites across Sydney, with each trap site comprising separate Lynfield traps containing either cuelure, methyl eugenol, or capilure lure. In 2008, an additional Lynfield trap with melolure plugs was added to seven sites. In 2009 and 2010, an additional Lynfield trap with melolure wicks was added to 11 trap sites and traps were monitored fortnightly for 2 yr. Capture rates for melolure traps were similar to cuelure traps for Dacus absonifacies (May) and Dacus aequalis (Coquillet), but melolure traps consistently caught fewer Bactrocera tryoni (Froggatt) than cuelure traps. However, trap sites with both a cuelure and melolure traps had increased capture rates for D. absonifacies and D. aequalis, and a marginally significant increase for B. tryoni. Melolure plugs were less effective than melolure wicks, but this effect may be related to lure concentration. The broader Bactrocera group species were attracted more to cuelure than melolure while the Dacus group species were attracted more to melolure than cuelure. There is no benefit in switching from cuelure to melolure to monitor B. tryoni, the most important fruit fly pest in Australia.

  13. SURVIVAL OF INTERSTELLAR MOLECULES TO PRESTELLAR DENSE CORE COLLAPSE AND EARLY PHASES OF DISK FORMATION

    Energy Technology Data Exchange (ETDEWEB)

    Hincelin, U. [Department of Chemistry, University of Virginia, Charlottesville, VA 22904 (United States); Wakelam, V.; Hersant, F.; Guilloteau, S. [University of Bordeaux, LAB, UMR 5804, F-33270 Floirac (France); Commerçon, B., E-mail: ugo.hincelin@virginia.edu [Laboratoire de radioastronomie, LERMA, Observatoire de Paris, Ecole Normale Supérieure (UMR 8112 CNRS), 24 rue Lhomond, F-75231 Paris Cedex 05 (France)

    2013-09-20

    An outstanding question of astrobiology is the link between the chemical composition of planets, comets, and other solar system bodies and the molecules formed in the interstellar medium. Understanding the chemical and physical evolution of the matter leading to the formation of protoplanetary disks is an important step for this. We provide some new clues to this long-standing problem using three-dimensional chemical simulations of the early phases of disk formation: we interfaced the full gas-grain chemical model Nautilus with the radiation-magnetohydrodynamic model RAMSES, for different configurations and intensities of the magnetic field. Our results show that the chemical content (gas and ices) is globally conserved during the collapsing process, from the parent molecular cloud to the young disk surrounding the first Larson core. A qualitative comparison with cometary composition suggests that comets are constituted of different phases, some molecules being direct tracers of interstellar chemistry, while others, including complex molecules, seem to have been formed in disks, where higher densities and temperatures allow for an active grain surface chemistry. The latter phase, and its connection with the formation of the first Larson core, remains to be modeled.

  14. Evidence for formation of hydroxyl radicals during reperfusion after global cerebral ischaemia in rats using salicylate trapping and microdialysis

    DEFF Research Database (Denmark)

    Christensen, Thomas; Bruhn, T; Balchen, T

    1994-01-01

    Systemic administration of salicylate (SA) to rats (100 mg kg-1 i.p. ) was used as an in vivo trap of hydroxyl radicals (.OH). In the brain SA reacts with hydroxyl radicals to form the stable adducts 2, 3- and 2,5 dihydroxybenzoic acid (DHBAs) which can thus be taken as an index of .OH formation....... The DHBAs were recovered by intracerebral microdialysis in hippocampus or striatum and quantified by high pressure liquid chromatography (HPLC) with electrochemical detection. There were no peaks corresponding to 2,5-DHBA or 2,3-DHBA in the chromatograms from rats not receiving SA. A basal level of 2,5-DHBA...

  15. FORMATION AND RECONDENSATION OF COMPLEX ORGANIC MOLECULES DURING PROTOSTELLAR LUMINOSITY OUTBURSTS

    Energy Technology Data Exchange (ETDEWEB)

    Taquet, Vianney [Leiden Observatory, Leiden University, P.O. Box 9513, 2300-RA Leiden (Netherlands); Wirström, Eva S. [Department of Earth and Space Sciences, Chalmers University of Technology, Onsala Space Observatory, SE-439 92 Onsala (Sweden); Charnley, Steven B. [Astrochemistry Laboratory and The Goddard Center for Astrobiology, Mailstop 691, NASA Goddard Space Flight Center, 8800 Greenbelt Road, Greenbelt, MD 20770 (United States)

    2016-04-10

    During the formation of stars, the accretion of surrounding material toward the central object is thought to undergo strong luminosity outbursts followed by long periods of relative quiescence, even at the early stages of star formation when the protostar is still embedded in a large envelope. We investigated the gas-phase formation and recondensation of the complex organic molecules (COMs) di-methyl ether and methyl formate, induced by sudden ice evaporation processes occurring during luminosity outbursts of different amplitudes in protostellar envelopes. For this purpose, we updated a gas-phase chemical network forming COMs in which ammonia plays a key role. The model calculations presented here demonstrate that ion–molecule reactions alone could account for the observed presence of di-methyl ether and methyl formate in a large fraction of protostellar cores without recourse to grain-surface chemistry, although they depend on uncertain ice abundances and gas-phase reaction branching ratios. In spite of the short outburst timescales of about 100 years, abundance ratios of the considered species higher than 10% with respect to methanol are predicted during outbursts due to their low binding energies relative to water and methanol which delay their recondensation during cooling. Although the current luminosity of most embedded protostars would be too low to produce complex organics in the hot-core regions that are observable with current sub-millimetric interferometers, previous luminosity outburst events would induce the formation of COMs in extended regions of protostellar envelopes with sizes increasing by up to one order of magnitude.

  16. On the Formation of Astrobiologically Important Molecules in Outer Solar System Ices

    Science.gov (United States)

    Kaiser, Ralf-Ingo

    2012-05-01

    The prime directive of our research project is to comprehend the chemical evolution of the Solar System and how life began and developed on Earth. This will be achieved by understanding the formation of carbon-, hydrogen-, oxygen-, and nitrogen-bearing (CHON) molecules in ices of Kuiper Belt Objects (KBOs) and on comets by reproducing the space environment in laboratory experiments. A study of these KBOs is important because they resemble natural ‘time capsules’ at a frozen stage before life developed on Earth. We follow the methodology that a comparison of the molecules formed in the experiments with the current composition of KBOs provides an exceptional potential to reconstruct the composition of icy, outer Solar System bodies at the time of their formation billions of years ago. Here, we present resent results of laboratory experiments simulating the interaction of ionizing radiation with low temperatures ices and mixtures relevant to the chemistry of KBOs and comets. Special attention is given to the reaction mechanisms on the synthesis of astrobiologically important molecules; amino acids, sugars, amines, carboxylic acids, and dipeptides

  17. Effects of a Single Water Molecule on the Reaction Barrier of Interstellar CO2 Formation Reaction.

    Science.gov (United States)

    Tachikawa, Hiroto; Kawabata, Hiroshi

    2016-08-25

    The mechanism by which CO2 is formed in the interstellar space remains a mystery. The most likely reaction is collision between CO and OH; however, previous theoretical works have shown that the activation barrier for CO2 formation is high enough to prevent the reaction at the low thermal conditions of space (∼10 K). The effects of single water molecule on the reaction barrier of CO2 formation from reaction between CO and OH have been investigated here by means of ab initio calculation. The barrier height along the lowest-energy pathway in the reaction between CO and OH in the absence of the H2O molecule was calculated to be 2.3 kcal/mol when CCSD(T) energy corrections are combined with the MP2 basis set limit. In the case of the hydrated (H2O-CO-OH) system, the inclusion of a single H2O molecule into the system significantly decreased the barrier height to 0.2 kcal/mol. This suggests that CO2 can be formed when CO and OH react in the presence of H2O, even under thermal conditions as low as 10 K.

  18. Negative and positive ion trapping by isotopic molecules in cryocrystals in case of solid parahydrogen containing electrons and H(6) (+) radical cations.

    Science.gov (United States)

    Shimizu, Yuta; Inagaki, Makoto; Kumada, Takayuki; Kumagai, Jun

    2010-06-28

    We performed electron spin resonance studies of trapped electrons and H(6) (+) radical cations produced by radiolysis of solid parahydrogen (p-H(2)), p-H(2)-ortho-D(2) (o-D(2)), and p-H(2)-HD mixtures. Yields of trapped electrons, H(6) (+) radical cations, and its isotopic analogs H(6-n)D(n) (+) (4>or=n>or=1) increased with increasing o-D(2) and HD concentrations in solid p-H(2). Electrons were found trapped near an o-D(2) or an HD in solid p-H(2) due to the long-range charge-induced dipole and quadrupole interactions between electrons and isotopic hydrogen molecules. H(6) (+) radical cations diffuse in solid p-H(2) by repetition of H(6) (+)+H(2)-->H(2)+H(6) (+) and are trapped by ortho-D(2) or HD to form H(6-n)D(n) (+) (4>or=n>or=1) as isotope condensation reactions. Decay behaviors of these cations by the repetition, isotope condensation, and geminate recombination between electrons and H(6-n)D(n) (+) (4>or=n>or=0) were reproduced by determining the corresponding reaction rate constants k(1), k(2), and k(3). Values of 0.045 and 0.0015 L mol(-1) min(-1) were obtained for k(1) (H(6) (+)+D(2)-->H(2)+H(4)D(2) (+)) and k(2) (H(4)D(2) (+)+D(2)-->H(2)+H(2)D(4) (+)), respectively, and the value was quasinull for k(3) (H(2)D(4) (+)+D(2)-->H(2)+D(6) (+)). These rate constants suggest that hole mobility drastically decreased in the repetition reaction when H(6) (+) radical cations acting as hole carriers formed H(4)D(2) (+) or H(2)D(4) (+). HD and D(2) molecules, therefore, act as electron and hole acceptors in irradiated solid p-H(2)-o-D(2) and p-H(2)-HD mixtures.

  19. Morphology-dependent trap formation in high performance polymer bulk heterojunction solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Beiley, Zach M.; Bartelt, Jonathan A.; Salleo, Alberto; McGehee, Michael D. [Department of Materials Science and Engineering, Stanford University, Stanford, CA 94305 (United States); Hoke, Eric T.; Noriega, Rodrigo; Burkhard, George F. [Department of Applied Physics, Stanford University, Stanford, CA 94305 (United States); Dacuna, Javier [Department of Electrical Engineering, Stanford University, Stanford, CA 94305 (United States); Toney, Michael F. [Stanford Synchrotron Radiation Lightsource, SLAC National Accelerator Laboratory, Menlo Park, CA 94025 (United States)

    2011-10-15

    Bulk heterojunction solar cells (BHJs) based on poly[N-9''-hepta-decanyl-2,7-carbazole-alt-5,5-(4',7'-di-2-thienyl-2',1',3'-benzothiadiazole)] (PCDTBT) can have internal quantum efficiencies approaching 100% but require active layers that are too thin to absorb more than {proportional_to}70% of the above band gap light. When the active layer thickness is increased so that the cell absorbs more light, the fill factor and open circuit voltage decrease rapidly, so that the overall power conversion efficiency decreases. We find that hole-traps in the polymer, which we characterize using space-charge limited current measurements, play an important role in the performance of PCDTBT-based BHJs and may limit the active layer thickness. Recombination due to carrier trapping is not often considered in BHJs because it is not believed to be a dominant loss mechanism in the ''fruit-fly'' P3HT system. Furthermore, we show that in contrast to P3HT, PCDTBT has only weak short-range molecular order, and that annealing at temperatures above the glass transition decreases the order in the {pi}-{pi} stacking. The decrease in structural order is matched by the movement of hole-traps deeper into the band gap, so that thermal annealing worsens hole transport in the polymer and reduces the efficiency of PCDTBT-based BHJs. These findings suggest that P3HT is not prototypical of the new class of high efficiency polymers, and that further improvement of BHJ efficiencies will necessitate the study of high efficiency polymers with low structural order. (Copyright copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. Morphology-Dependent Trap Formation in High Performance Polymer Bulk Heterojunction Solar Cells

    KAUST Repository

    Beiley, Zach M.

    2011-06-28

    Bulk heterojunction solar cells (BHJs) based on poly[N-9″-hepta- decanyl-2,7-carbazole- alt -5,5-(4′,7′-di-2-thienyl-2′, 1′,3′-benzothiadiazole)] (PCDTBT) can have internal quantum efficiencies approaching 100% but require active layers that are too thin to absorb more than ∼70% of the above band gap light. When the active layer thickness is increased so that the cell absorbs more light, the fi ll factor and open circuit voltage decrease rapidly, so that the overall power conversion efficiency decreases. We fi nd that hole-traps in the polymer, which we characterize using space-charge limited current measurements, play an important role in the performance of PCDTBT-based BHJs and may limit the active layer thickness. Recombination due to carrier trapping is not often considered in BHJs because it is not believed to be a dominant loss mechanism in the "fruit-fl y" P3HT system. Furthermore, we show that in contrast to P3HT, PCDTBT has only weak short-range molecular order, and that annealing at temperatures above the glass transition decreases the order in the π-π stacking. The decrease in structural order is matched by the movement of hole-traps deeper into the band gap, so that thermal annealing worsens hole transport in the polymer and reduces the efficiency of PCDTBTbased BHJs. These fi ndings suggest that P3HT is not prototypical of the new class of high efficiency polymers, and that further improvement of BHJ efficiencies will necessitate the study of high efficiency polymers with low structural order. © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Diels-Alder Trapping of Photochemically Generated o-Xylenols: Application in the Synthesis of Novel Organic Molecules and Polymers

    Science.gov (United States)

    Meador, Michael A.

    2003-01-01

    Bis(o-xylenol) equivalents are useful synthetic intermediates in the construction of polymers and hydroxyl substituted organic molecules which can organize by hydrogen bonded self-assembly into unique supramolecular structures. These polymers and supramolecular materials have potential use as coatings and thin films in aerospace, electronic and biomedical applications.

  2. Formation of prebiotic molecules in liquid water environments on the surface of Titan

    Science.gov (United States)

    Neish, Catherine Dorothy

    Saturn's moon Titan represents a unique locale for studying prebiotic chemistry. Reactions occurring in its thick nitrogen-methane atmosphere produce a wide variety of carbon, hydrogen, and nitrogen containing organic molecules. If these molecules are exposed to liquid water, they may react further to produce oxygen-containing species, a key step in the formation of terrestrial biomolecules. On average, Titan's surface is too cold for liquid water. However, models indicate that melting caused by impacts and/or cryovolcanism may lead to its episodic availability. One possible cryovolcanic dome, Ganesa Macula, was identified in early observations by the Cassini spacecraft. In this work, I estimate the height and morphology of this feature using a synthetic aperture radar (SAR) image. I then use a thermal conduction code to calculate the freezing timescale for an initially liquid dome, yielding freezing timescales of ~10^2 - 10^5 years. To determine how far aqueous organic chemistry can proceed in liquid water environments on Titan, I measure the rate coefficients of Titan analogue organic molecules ("tholins") with low temperature aqueous solutions to produce oxygenated species. These reactions display first-order kinetics with half- lives between 0.4 and 7 days at 273 K (in water) and between 0.3 and 14 days at 253 K (in 13 wt. % ammonia-water). Tholin hydrolysis in aqueous solutions is thus very fast compared to the freezing timescales of impact melts and volcanic sites on Titan, which take hundreds to thousands of years to freeze. The fast incorporation of oxygen, along with new chemistry made available by the introduction of ammonia, may lead to the formation of molecules of prebiotic interest in these transient liquid water environments. This chemistry makes impact craters and cryovolcanoes important targets for future missions to Titan.

  3. Long-term Variations of CO2 Trapped in Different Mechanisms in Deep Saline Formations: A Case Study of the Songliao Basin, China

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Wei; Li, Yilian; Xu, Tianfu; Cheng, Huilin; Zheng, Yan; Xiong, Peng

    2008-06-10

    The geological storage of CO{sub 2} in deep saline formations is increasing seen as a viable strategy to reduce the release of greenhouse gases to the atmosphere. There are numerous sedimentary basins in China, in which a number of suitable CO{sub 2} geologic reservoirs are potentially available. To identify the multi-phase processes, geochemical changes and mineral alteration, and CO{sub 2} trapping mechanisms after CO{sub 2} injection, reactive geochemical transport simulations using a simple 2D model were performed. Mineralogical composition and water chemistry from a deep saline formation of Songliao Basin were used. Results indicate that different storage forms of CO{sub 2} vary with time. In the CO{sub 2} injection period, a large amount of CO{sub 2} remains as a free supercritical phase (gas trapping), and the amount dissolved in the formation water (solubility trapping) gradually increases. Later, gas trapping decreases, solubility trapping increases significantly due to migration and diffusion of the CO{sub 2} plume, and the amount trapped by carbonate minerals increases gradually with time. The residual CO{sub 2} gas keeps dissolving into groundwater and precipitating carbonate minerals. For the Songliao Basin sandstone, variations in the reaction rate and abundance of chlorite, and plagioclase composition affect significantly the estimates of mineral alteration and CO{sub 2} storage in different trapping mechanisms. The effect of vertical permeability and residual gas saturation on the overall storage is smaller compared to the geochemical factors. However, they can affect the spatial distribution of the injected CO{sub 2} in the formations. The CO{sub 2} mineral trapping capacity could be in the order of ten kilogram per cubic meter medium for the Songliao Basin sandstone, and may be higher depending on the composition of primary aluminosilicate minerals especially the content of Ca, Mg, and Fe.

  4. The impact of Lyman α trapping on the formation of primordial objects

    NARCIS (Netherlands)

    Latif, M. A.; Zaroubi, S.; Spaans, M.

    2011-01-01

    Numerous cosmological simulations have been performed to study the formation of the first objects. We present the results of high-resolution 3D cosmological simulations of the formation of primordial objects using the adaptive mesh refinement code FLASH by including in an approximate manner the radi

  5. The impact of Lyman α trapping on the formation of primordial objects

    NARCIS (Netherlands)

    Latif, M. A.; Zaroubi, S.; Spaans, M.

    Numerous cosmological simulations have been performed to study the formation of the first objects. We present the results of high-resolution 3D cosmological simulations of the formation of primordial objects using the adaptive mesh refinement code FLASH by including in an approximate manner the

  6. Optimized green fluorescent protein fused to FoF1-ATP synthase for single-molecule FRET using a fast anti-Brownian electrokinetic trap

    Science.gov (United States)

    Dienerowitz, Maria; Ilchenko, Mykhailo; Su, Bertram; Deckers-Hebestreit, Gabriele; Mayer, Günter; Henkel, Thomas; Heitkamp, Thomas; Börsch, Michael

    2016-02-01

    Observation times of freely diffusing single molecules in solution are limited by the photophysics of the attached fluorescence markers and by a small observation volume in the femtolitre range that is required for a sufficient signal-to-background ratio. To extend diffusion-limited observation times through a confocal detection volume, A. E. Cohen and W. E. Moerner have invented and built the ABELtrap -- a microfluidic device to actively counteract Brownian motion of single nanoparticles with an electrokinetic trap. Here we present a version of an ABELtrap with a laser focus pattern generated by electro-optical beam deflectors and controlled by a programmable FPGA chip. This ABELtrap holds single fluorescent nanoparticles for more than 100 seconds, increasing the observation time of fluorescent nanoparticles compared to free diffusion by a factor of 10000. To monitor conformational changes of individual membrane proteins in real time, we record sequential distance changes between two specifically attached dyes using Förster resonance energy transfer (smFRET). Fusing the a-subunit of the FoF1-ATP synthase with mNeonGreen results in an improved signal-to-background ratio at lower laser excitation powers. This increases our measured trap duration of proteoliposomes beyond 2 s. Additionally, we observe different smFRET levels attributed to varying distances between the FRET donor (mNeonGreen) and acceptor (Alexa568) fluorophore attached at the a- and c-subunit of the FoF1-ATP synthase respectively.

  7. Statistics of work and orthogonality catastrophe in discrete level systems: an application to fullerene molecules and ultra-cold trapped Fermi gases

    Directory of Open Access Journals (Sweden)

    Antonello Sindona

    2015-03-01

    Full Text Available The sudden introduction of a local impurity in a Fermi sea leads to an anomalous disturbance of its quantum state that represents a local quench, leaving the system out of equilibrium and giving rise to the Anderson orthogonality catastrophe. The statistics of the work done describe the energy fluctuations produced by the quench, providing an accurate and detailed insight into the fundamental physics of the process. We present here a numerical approach to the non-equilibrium work distribution, supported by applications to phenomena occurring at very diverse energy ranges. One of them is the valence electron shake-up induced by photo-ionization of a core state in a fullerene molecule. The other is the response of an ultra-cold gas of trapped fermions to an embedded two-level atom excited by a fast pulse. Working at low thermal energies, we detect the primary role played by many-particle states of the perturbed system with one or two excited fermions. We validate our approach through the comparison with some photoemission data on fullerene films and previous analytical calculations on harmonically trapped Fermi gases.

  8. Statistics of work and orthogonality catastrophe in discrete level systems: an application to fullerene molecules and ultra-cold trapped Fermi gases.

    Science.gov (United States)

    Sindona, Antonello; Pisarra, Michele; Gravina, Mario; Vacacela Gomez, Cristian; Riccardi, Pierfrancesco; Falcone, Giovanni; Plastina, Francesco

    2015-01-01

    The sudden introduction of a local impurity in a Fermi sea leads to an anomalous disturbance of its quantum state that represents a local quench, leaving the system out of equilibrium and giving rise to the Anderson orthogonality catastrophe. The statistics of the work done describe the energy fluctuations produced by the quench, providing an accurate and detailed insight into the fundamental physics of the process. We present here a numerical approach to the non-equilibrium work distribution, supported by applications to phenomena occurring at very diverse energy ranges. One of them is the valence electron shake-up induced by photo-ionization of a core state in a fullerene molecule. The other is the response of an ultra-cold gas of trapped fermions to an embedded two-level atom excited by a fast pulse. Working at low thermal energies, we detect the primary role played by many-particle states of the perturbed system with one or two excited fermions. We validate our approach through the comparison with some photoemission data on fullerene films and previous analytical calculations on harmonically trapped Fermi gases.

  9. Formation of molecular ions by radiative association of cold trapped atoms and ions

    CERN Document Server

    Silva, Humberto Da; Aymar, Mireille; Dulieu, Olivier

    2015-01-01

    Radiative emission during cold collisions between trapped laser-cooled Rb atoms and alkaline-earth ions (Ca + , Sr + , Ba +) and Yb + are studied theoretically, using accurate effective-core-potential based quantum chemistry calculations of potential energy curves and transition dipole moments of the related molecular ions. Radiative association of molecular ions is predicted to occur for all systems with a cross section two to ten times larger than the radiative charge transfer one. Partial and total rate constants are also calculated and compared to available experiments. Narrow shape resonances are expected, which could be detectable at low temperature with an experimental resolution at the limit of the present standards. Vibrational distributions are also calculated, showing that the final molecular ions are not created in their ground state level.

  10. Interstellar ices as witnesses of star formation: selective deuteration of water and organic molecules unveiled

    CERN Document Server

    Cazaux, S; Spaans, M

    2011-01-01

    The environments where stars are born contain gas and dust grains covered by icy mantles. As the star forms and heats up its surroundings, the ices evaporate which leads to a very complex chemistry with high abundances of deuterated molecules. While formaldehyde and water are both ice constituents, deuterated formaldehyde is very abundant in comets and star forming regions, while deuterated water rarely is. Here, we explain this selective deuteration by following the formation and evolution of the ices as a cloud collapses to form a star. We show that the deuteration of formaldehyde is sensitive to the gas D/H ratio as the cloud undergoes gravitational collapse, while the deuteration of water strongly depends on the dust temperature at the time of ice formation.

  11. Molecules in interstellar clouds. [physical and chemical conditions of star formation and biological evolution

    Science.gov (United States)

    Irvine, W. M.; Hjalmarson, A.; Rydbeck, O. E. H.

    1981-01-01

    The physical conditions and chemical compositions of the gas in interstellar clouds are reviewed in light of the importance of interstellar clouds for star formation and the origin of life. The Orion A region is discussed as an example of a giant molecular cloud where massive stars are being formed, and it is pointed out that conditions in the core of the cloud, with a kinetic temperature of about 75 K and a density of 100,000-1,000,000 molecules/cu cm, may support gas phase ion-molecule chemistry. The Taurus Molecular Clouds are then considered as examples of cold, dark, relatively dense interstellar clouds which may be the birthplaces of solar-type stars and which have been found to contain the heaviest interstellar molecules yet discovered. The molecular species identified in each of these regions are tabulated, including such building blocks of biological monomers as H2O, NH3, H2CO, CO, H2S, CH3CN and H2, and more complex species such as HCOOCH3 and CH3CH2CN.

  12. Neutrophil extracellular trap formation is associated with IL-1β and autophagy-related signaling in gout.

    Directory of Open Access Journals (Sweden)

    Ioannis Mitroulis

    Full Text Available BACKGROUND: Gout is a prevalent inflammatory arthritis affecting 1-2% of adults characterized by activation of innate immune cells by monosodium urate (MSU crystals resulting in the secretion of interleukin-1β (IL-1β. Since neutrophils play a major role in gout we sought to determine whether their activation may involve the formation of proinflammatory neutrophil extracellular traps (NETs in relation to autophagy and IL-1β. METHODOLOGY/PRINCIPAL FINDINGS: Synovial fluid neutrophils from six patients with gout crisis and peripheral blood neutrophils from six patients with acute gout and six control subjects were isolated. MSU crystals, as well as synovial fluid or serum obtained from patients with acute gout, were used for the treatment of control neutrophils. NET formation was assessed using immunofluorescence microscopy. MSU crystals or synovial fluid or serum from patients induced NET formation in control neutrophils. Importantly, NET production was observed in neutrophils isolated from synovial fluid or peripheral blood from patients with acute gout. NETs contained the alarmin high mobility group box 1 (HMGB1 supporting their pro-inflammatory potential. Inhibition of phosphatidylinositol 3-kinase signaling or phagolysosomal fusion prevented NET formation, implicating autophagy in this process. NET formation was driven at least in part by IL-1β as demonstrated by experiments involving IL-1β and its inhibitor anakinra. CONCLUSIONS/SIGNIFICANCE: These findings document for the first time that activation of neutrophils in gout is associated with the formation of proinflammatory NETs and links this process to both autophagy and IL-1β. Modulation of the autophagic machinery may represent an additional therapeutic study in crystalline arthritides.

  13. Complex Organic Molecules Formation in Space Through Gas Phase Reactions: A Theoretical Approach

    Science.gov (United States)

    Redondo, Pilar; Barrientos, Carmen; Largo, Antonio

    2017-02-01

    Chemistry in the interstellar medium (ISM) is capable of producing complex organic molecules (COMs) of great importance to astrobiology. Gas phase and grain surface chemistry almost certainly both contribute to COM formation. Amino acids as building blocks of proteins are some of the most interesting COMs. The simplest one, glycine, has been characterized in meteorites and comets and, its conclusive detection in the ISM seems to be highly plausible. In this work, we analyze the gas phase reaction of glycine and {{{CH}}5}+ to establish the role of this process in the formation of alanine or other COMs in the ISM. Formation of protonated α- and β-alanine in spite of being exothermic processes is not viable under interstellar conditions because the different paths leading to these isomers present net activation energies. Nevertheless, glycine can evolve to protonated 1-imide-2, 2-propanediol, protonated amino acetone, protonated hydroxyacetone, and protonated propionic acid. However, formation of acetic acid and protonated methylamine is also a favorable process and therefore will be a competitive channel with the evolution of glycine to COMs.

  14. Signaling molecules regulating phenotypic conversions of astrocytes and glial scar formation in damaged nerve tissues.

    Science.gov (United States)

    Koyama, Yutaka

    2014-12-01

    Phenotypic conversion of astrocytes from resting to reactive (i.e., astrocytic activation) occurs in numerous brain disorders. Astrocytic activation in severely damaged brain regions often leads to glial scar formation. Because astrocytic activation and glial scar largely affect the vulnerability and tissue repair of damaged brain, numerous studies have been made to clarify mechanisms regulating the astrocytic phenotype. The phenotypic conversion is accompanied by the increased expression of intermediate filament proteins and the induction of hypertrophy in reactive astrocytes. Severe brain damage results in proliferation and migration of reactive astrocytes, which lead to glial scar formations at the injured areas. Gliogenesis from neural progenitors in the adult brain is also involved in astrocytic activation and glial scar formation. Recent studies have shown that increased expression of connexin 43, aquaporin 4, matrix metalloproteinase 9, and integrins alter the function of astrocytes. The transcription factors: STAT3, OLIG2, SMAD, NF-κB, and Sp1 have been suggested to play regulatory roles in astrocytic activation and glial scar formation. In this review, I discuss the roles of these key molecules regulating the pathophysiological functions of reactive astrocytes.

  15. Lectin-Like Molecules of Lactobacillus rhamnosus GG Inhibit Pathogenic Escherichia coli and Salmonella Biofilm Formation.

    Science.gov (United States)

    Petrova, Mariya I; Imholz, Nicole C E; Verhoeven, Tine L A; Balzarini, Jan; Van Damme, Els J M; Schols, Dominique; Vanderleyden, Jos; Lebeer, Sarah

    2016-01-01

    Increased antibiotic resistance has catalyzed the research on new antibacterial molecules and alternative strategies, such as the application of beneficial bacteria. Since lectin molecules have unique sugar-recognizing capacities, and pathogens are often decorated with sugars that affect their survival and infectivity, we explored whether lectins from the probiotic strain Lactobacillus rhamnosus GG have antipathogenic properties. The genome sequence of L. rhamnosus GG was screened for the presence of lectin-like proteins. Two genes, LGG_RS02780 and LGG_RS02750, encoding for polypeptides with an N-terminal conserved L-type lectin domain were detected and designated Llp1 (lectin-like protein 1) and Llp2. The capacity of Llp1 and Llp2 to inhibit biofilm formation of various pathogens was investigated. Sugar specificity was determined by Sepharose beads assays and glycan array screening. The isolated lectin domains of Llp1 and Llp2 possess pronounced inhibitory activity against biofilm formation by various pathogens, including clinical Salmonella species and uropathogenic E. coli, with Llp2 being more active than Llp1. In addition, sugar binding assays with Llp1 and Llp2 indicate specificity for complex glycans. Both proteins are also involved in the adhesion capacity of L. rhamnosus GG to gastrointestinal and vaginal epithelial cells. Lectins isolated from or expressed by beneficial lactobacilli could be considered promising bio-active ingredients for improved prophylaxis of urogenital and gastrointestinal infections.

  16. Coherent control of the formation of cold heteronuclear molecules by photoassociation

    Science.gov (United States)

    de Lima, Emanuel F.

    2017-01-01

    We consider the formation of cold diatomic molecules in the electronic ground state by photoassociation of atoms of dissimilar species. A combination of two transition pathways from the free colliding pair of atoms to a bound vibrational level of the electronic molecular ground state is envisioned. The first pathway consists of a pump-dump scheme with two time-delayed laser pulses in the near-infrared frequency domain. The pump pulse drives the transition to a bound vibrational level of an excited electronic state, while the dump pulse transfers the population to a bound vibrational level of the electronic ground state. The second pathway takes advantage of the existing permanent dipole moment and employs a single pulse in the far-infrared domain to drive the transition from the unbound atoms directly to a bound vibrational level in the electronic ground state. We show that this scheme offers the possibility to coherently control the photoassociation yield by manipulating the relative phase and timing of the pulses. The photoassociation mechanism is illustrated for the formation of cold LiCs molecules.

  17. Ozone kinetics in low-pressure discharges: vibrationally excited ozone and molecule formation on surfaces

    Science.gov (United States)

    Marinov, Daniil; Guerra, Vasco; Guaitella, Olivier; Booth, Jean-Paul; Rousseau, Antoine

    2013-10-01

    A combined experimental and modeling investigation of the ozone kinetics in the afterglow of pulsed direct current discharges in oxygen is carried out. The discharge is generated in a cylindrical silica tube of radius 1 cm, with short pulse durations between 0.5 and 2 ms, pressures in the range 1-5 Torr and discharge currents ˜40-120 mA. Time-resolved absolute concentrations of ground-state atoms and ozone molecules were measured simultaneously in situ, by two-photon absorption laser-induced fluorescence and ultraviolet absorption, respectively. The experiments were complemented by a self-consistent model developed to interpret the results and, in particular, to evaluate the roles of vibrationally excited ozone and of ozone formation on surfaces. It is found that vibrationally excited ozone, O_3^{*} , plays an important role in the ozone kinetics, leading to a decrease in the ozone concentration and an increase in its formation time. In turn, the kinetics of O_3^{*} is strongly coupled with those of atomic oxygen and O2(a 1Δg) metastables. Ozone formation at the wall does not contribute significantly to the total ozone production under the present conditions. Upper limits for the effective heterogeneous recombination probability of O atoms into ozone are established.

  18. Design and Testing of a Linear Ion Trap for the Mars Organic Molecule Analyzer (MOMA) Investigation on the 2018 ExoMars Rover

    Science.gov (United States)

    Brinckerhoff, W. B.; van Amerom, F.; Danell, R.; Pinnick, V. T.; Arevalo, R. D.; Li, X.; Hovmand, L.; Siljestrom, S.; Mahaffy, P. R.; Goetz, W.; Goesmann, F.; Steininger, H.

    2013-12-01

    The 2018 ExoMars rover mission includes the Mars Organic Molecule Analyzer (MOMA) investigation. MOMA will examine the chemical composition of samples acquired from depths of up to two meters below the martian surface, where organics may be protected from radiative and oxidative degradation. When combined with the complement of instruments in the rover's Pasteur Payload, MOMA has the potential to reveal the presence of a wide range of organics preserved in a variety of mineralogical environments, and to begin to understand the structural character and potential origin of those compounds. MOMA includes an ion trap mass spectrometer (ITMS) that is designed to analyze molecular composition of (i) gas evolved from pyrolyzed powder samples and separated on a gas chromatograph and (ii) ions directly desorbed from solid samples at Mars ambient pressure using a pulsed laser and a fast-valve capillary ion inlet system. This 'dual source' approach gives MOMA unprecedented breadth of detection over a wide range of molecular weights and volatilities. Analysis of nonvolatile, higher-molecular weight organics such as carboxylic acids and peptides even in the presence of significant perchlorate concentrations is enabled by the extremely short (~1 ns) pulses of the desorption laser. Use of the ion trap's tandem mass spectrometry mode permits selective focus on key species for isolation and controlled fragmentation, providing structural analysis capabilities. The flight-like engineering test unit (ETU) of the ITMS, now under construction, will be used to verify breadboard performance with high fidelity, while simultaneously supporting the development of analytical scripts and spectral libraries using synthetic and natural Mars analog samples guided by current results from MSL. ETU campaign data will strongly advise the specifics of the calibration applied to the MOMA flight model as well as the science operational procedures during the mission.

  19. Caffeine suppresses homologous recombination through interference with RAD51-mediated joint molecule formation

    Science.gov (United States)

    Zelensky, Alex N.; Sanchez, Humberto; Ristic, Dejan; Vidic, Iztok; van Rossum-Fikkert, Sari E.; Essers, Jeroen; Wyman, Claire; Kanaar, Roland

    2013-01-01

    Caffeine is a widely used inhibitor of the protein kinases that play a central role in the DNA damage response. We used chemical inhibitors and genetically deficient mouse embryonic stem cell lines to study the role of DNA damage response in stable integration of the transfected DNA and found that caffeine rapidly, efficiently and reversibly inhibited homologous integration of the transfected DNA as measured by several homologous recombination-mediated gene-targeting assays. Biochemical and structural biology experiments revealed that caffeine interfered with a pivotal step in homologous recombination, homologous joint molecule formation, through increasing interactions of the RAD51 nucleoprotein filament with non-homologous DNA. Our results suggest that recombination pathways dependent on extensive homology search are caffeine-sensitive and stress the importance of considering direct checkpoint-independent mechanisms in the interpretation of the effects of caffeine on DNA repair. PMID:23666627

  20. The formation of ethylene glycol and other complex organic molecules in star-forming regions

    CERN Document Server

    Rivilla, V M; Cesaroni, R; Fontani, F; Codella, C; Zhang, Q

    2016-01-01

    We study the molecular abundance and spatial distribution of the simplest sugar alcohol, ethylene glycol (EG), the simplest sugar glycoladehyde (GA), and other chemically related complex organic species towards the massive star-forming region G31.41+0.31. We have analyzed multiple single dish and interferometric data, and obtained excitation temperatures and column densities using an LTE analysis. We have reported for the first time the presence of EG towards G31.41+0.31, and we have also detected multiple transitions of other complex organic molecules such as GA, methyl formate (MF), dimethyl ether (DME) and ethanol (ET). The high angular resolution images show that the EG emission is very compact, peaking towards the maximum of the continuum. These observations suggest that low abundance complex organic molecules, like EG or GA, are good probes of the gas located closer to the forming stars. Our analysis confirms that EG is more abundant than GA in G31.41+0.31, as previously observed in other interstellar r...

  1. The adaptor molecule SAP plays essential roles during invariant NKT cell cytotoxicity and lytic synapse formation.

    Science.gov (United States)

    Das, Rupali; Bassiri, Hamid; Guan, Peng; Wiener, Susan; Banerjee, Pinaki P; Zhong, Ming-Chao; Veillette, André; Orange, Jordan S; Nichols, Kim E

    2013-04-25

    The adaptor molecule signaling lymphocytic activation molecule-associated protein (SAP) plays critical roles during invariant natural killer T (iNKT) cell ontogeny. As a result, SAP-deficient humans and mice lack iNKT cells. The strict developmental requirement for SAP has made it difficult to discern its possible involvement in mature iNKT cell functions. By using temporal Cre recombinase-mediated gene deletion to ablate SAP expression after completion of iNKT cell development, we demonstrate that SAP is essential for T-cell receptor (TCR)-induced iNKT cell cytotoxicity against T-cell and B-cell leukemia targets in vitro and iNKT-cell-mediated control of T-cell leukemia growth in vivo. These findings are not restricted to the murine system: silencing RNA-mediated suppression of SAP expression in human iNKT cells also significantly impairs TCR-induced cytolysis. Mechanistic studies reveal that iNKT cell killing requires the tyrosine kinase Fyn, a known SAP-binding protein. Furthermore, SAP expression is required within iNKT cells to facilitate their interaction with T-cell targets and induce reorientation of the microtubule-organizing center to the immunologic synapse (IS). Collectively, these studies highlight a novel and essential role for SAP during iNKT cell cytotoxicity and formation of a functional IS.

  2. Modulation of nanotube formation in apatite single crystal via organic molecule incorporation

    Energy Technology Data Exchange (ETDEWEB)

    Matsumoto, Takuya, E-mail: tmatsu@dent.osaka-u.ac.jp [Department of Oromaxillofacial Regeneration, Osaka University, 1-8 Yamada-Oka, Suita 565-0871 (Japan); Uddin, Mohammad Hafiz; An, Sang Hyun [Department of Oromaxillofacial Regeneration, Osaka University, 1-8 Yamada-Oka, Suita 565-0871 (Japan); Arakawa, Kazuto; Taguchi, Eiji [Research Center for Ultra-High Voltage Electron Microscopy, Osaka University, 7-1 Mihogaoka, Ibaraki 567-0047 (Japan); Nakahira, Atsushi [Department of Material Sciences, Osaka Prefecture University, 1-1 Gakuen-cho, Sakai 599-8531 (Japan); Okazaki, Masayuki [Department of Biomaterials Science, Hiroshima University Faculty of Dentistry, 1-2-3 Kasumi, Minami-ku, Hiroshima 734-8553 (Japan)

    2011-08-15

    Highlights: {yields} Hydroxyapatite incorporating amino acid was fabricated. {yields} The synthesized crystals showed linearly aligned nano-pores in their structure after their EB irradiation or heating. {yields} Amino acid is considered as an effective porogen for the modulation of internal structure of apatite single crystal. - Abstract: Hydroxyapatite materials are potentially useful for biomedical application, especially as vehicles for functional molecules. Structural control of bulk apatite materials, such as in the fabrication of hollow microspheres or porous structures, has been studied for this purpose. However, control of the internal structure of the source apatite crystal itself is still a challenge. Here, we show that small organic molecules incorporated in apatite crystals act as porogens which control the porous structure of apatite single crystal. The presence of amino acid under apatite synthesis conditions leads to firm bindings and encapsulation of the amino acid in apatite single crystals. Amino acid elimination by heating or electron beam irradiation enhances the pore formation in apatite single crystal. Moreover, incorporation of an acidic amino acid in apatite induces peapod like nanotubes in apatite single crystals. This study suggests the potential of using small organics for nano-structural control of apatite single crystals which would be valuable for enhancing drug loadings or modulating material digestion in vivo.

  3. Interface formation between hydrocarbon ring molecules and III-V semiconductor surfaces

    Energy Technology Data Exchange (ETDEWEB)

    Passmann, Regina

    2008-08-15

    In this work a systematical study to investigate the adsorption structures of small hydrocarbon ring shaped molecules on III-V semiconductor surfaces with Photo-Emission Spectroscopy (PES), Reflectance Anisotropy Spectroscopy (RAS), Scanning Tunneling Microscopy (STM) as well as Low Electron Energy Diffraction (LEED) was performed. To investigate the influence of the surface structure in detail the surface dimer configuration to the adsorption process of organic molecules GaAs(001) surfaces, the c(4 x 4), the (2 x 4) and the (4 x 2) have been investigated as well as the adsorption of cyclopentene on the InP(001)(2 x 4) reconstructed surface. In the direct comparison it is shown that cyclopentene bonds to the InP(001)(2 x 4) surface via a cycloaddition like reaction. During this adsorption the double bond splits which is in contrast to the adsorption of cyclopentene on the GaAs(001) surfaces. Therefrom it is concluded that the surface geometry has an influence on the resulting adsorption structure. In order to investigate the influence of the intra-molecular double bonds, cyclopentene (one double bond), 1,4-cyclohexadiene (two double bonds) and benzene (three double bonds) were used for the characterization of the interface formation. With the investigations on the GaAs(001) reconstructed surfaces it was shown that a dependency of the bonding configuration on the intra-molecular double bonds exists. During the adsorption of cyclopentene no evidence was found that the double bond has to be involved in the interface formation while during the adsorption of 1,4-cyclohexadiene and benzene the double bonds are involved. Furthermore it was found that a bonding to As atoms of the surface is more likely than a bonding to Ga atoms. (orig.)

  4. Fast carbohydrate analysis via liquid chromatography coupled with ultra violet and electrospray ionization ion trap detection in 96-well format.

    Science.gov (United States)

    Rühmann, Broder; Schmid, Jochen; Sieber, Volker

    2014-07-11

    A fast carbohydrate screening platform processible in 96-well format is described. The method is suitable for the determination of various carbohydrates out of complex mixtures as obtained by acidic hydrolysis of carbohydrates polymers. The chromatographic conditions for an efficient separation (12min) and the derivatization process with 1-phenyl-3-methyl-5-pyrazolone (PMP) were optimized for high resolution separation and simultaneous determination of deoxy-, amino-, anhydro-sugars as well as hexoses, pentoses, dimers, uronic acids and degradation products like furfural and hydroxymethylfurfural (HMF). The potential to quantify with UV- and MS-detector in the same range has been demonstrated for 20 different compounds. Finally, the matrix effects of the hydrolysis were positively evaluated. The micro scale hydrolysis and PMP-derivatization without any extraction or drying steps, both in 96-well format, result in a fast and intuitive sample preparation. In combination with a fast liquid chromatography coupled to UV and electrospray ionization ion trap detection (LC-UV-ESI-MS/MS) for the qualification and quantification of various sugars, dimers and degradation products, this method shows great performance in carbohydrate analysis.

  5. First record of contourites from Lower Devonian Lip-trap Formation in southeast Australia

    Institute of Scientific and Technical Information of China (English)

    G.R.SHI

    2008-01-01

    Typical contourite deposits associated with submarine turbidite fan deposits are recognized for the first time from the Lower Devonian Liptrap Formation at Cape Liatrap, Victoria in southeast Australia. The contourites are well integrated within the turbidite fan deposits and are characterized by thin (5-8 cm), lenticular, well-sorted coarse-grained siltstones to fine-grained sandstones with current-ripples and cross beddings. The palaeocurrent directions of the turbidite fan and contourites are perpendicular to each other, with the former directed generally westward while the latter varying from 165° to 190° southward. In view of the facies types and architecture, we suggest that the turbidite fan was developed at the base of a westward inclined palaeo-slope, at the front of which the contourites were deposited as a result of southward flowing deep-sea contour (geostrophic) currents. The depositional setting inter- preted for the Liptrap Formation thus may provide a provisional model for the Lower Devonian conti- nental slope and abyssal basin environment in the southeastern part of the Melbourne Trough.

  6. Formation of ethylene glycol and other complex organic molecules in star-forming regions

    Science.gov (United States)

    Rivilla, V. M.; Beltrán, M. T.; Cesaroni, R.; Fontani, F.; Codella, C.; Zhang, Q.

    2017-02-01

    luminosity. We also find that the abundance ratios of pairs of isomers (CH2OHCHO/CH3OCHO and C2H5OH/CH3OCH3) decrease with the luminosity of the sources. Conclusions: The most likely explanation for the behavior of the (CH2OH)2/CH2OHCHO ratio is that these molecules are formed by different chemical formation routes not directly linked, although different formation and destruction efficiencies in the gas phase cannot be ruled out. The most likely formation route of (CH2OH)2 is by combination of two CH2OH radicals on dust grains. We also favor that CH2OHCHO is formed via the solid-phase dimerization of the formyl radical HCO. The interpretation of the observations also suggests a chemical link between CH3OCHO and CH3OCH3, and between (CH2OH)2 and C2H5OH. The behavior of the abundance ratio C2H5OH/CH3OCH3 with luminosity may be explained by the different warm-up timescales in hot cores and hot corinos. The reduced spectra (ASCII files) are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/598/A59

  7. The cell adhesion molecule nectin-1 is critical for normal enamel formation in mice.

    Science.gov (United States)

    Barron, Martin J; Brookes, Steven J; Draper, Clare E; Garrod, David; Kirkham, Jennifer; Shore, Roger C; Dixon, Michael J

    2008-11-15

    Nectin-1 is a member of a sub-family of immunoglobulin-like adhesion molecules and a component of adherens junctions. In the current study, we have shown that mice lacking nectin-1 exhibit defective enamel formation in their incisor teeth. Although the incisors of nectin-1-null mice were hypomineralized, the protein composition of the enamel matrix was unaltered. While strong immunostaining for nectin-1 was observed at the interface between the maturation-stage ameloblasts and the underlying cells of the stratum intermedium (SI), its absence in nectin-1-null mice correlated with separation of the cell layers at this interface. Numerous, large desmosomes were present at this interface in wild-type mice; however, where adhesion persisted in the mutant mice, the desmosomes were smaller and less numerous. Nectins have been shown to regulate tight junction formation; however, this is the first report showing that they may also participate in the regulation of desmosome assembly. Importantly, our results show that integrity of the SI-ameloblast interface is essential for normal enamel mineralization.

  8. Structural characterization of toxic oligomers that are kinetically trapped during α-synuclein fibril formation.

    Science.gov (United States)

    Chen, Serene W; Drakulic, Srdja; Deas, Emma; Ouberai, Myriam; Aprile, Francesco A; Arranz, Rocío; Ness, Samuel; Roodveldt, Cintia; Guilliams, Tim; De-Genst, Erwin J; Klenerman, David; Wood, Nicholas W; Knowles, Tuomas P J; Alfonso, Carlos; Rivas, Germán; Abramov, Andrey Y; Valpuesta, José María; Dobson, Christopher M; Cremades, Nunilo

    2015-04-21

    We describe the isolation and detailed structural characterization of stable toxic oligomers of α-synuclein that have accumulated during the process of amyloid formation. Our approach has allowed us to identify distinct subgroups of oligomers and to probe their molecular architectures by using cryo-electron microscopy (cryoEM) image reconstruction techniques. Although the oligomers exist in a range of sizes, with different extents and nature of β-sheet content and exposed hydrophobicity, they all possess a hollow cylindrical architecture with similarities to certain types of amyloid fibril, suggesting that the accumulation of at least some forms of amyloid oligomers is likely to be a consequence of very slow rates of rearrangement of their β-sheet structures. Our findings reveal the inherent multiplicity of the process of protein misfolding and the key role the β-sheet geometry acquired in the early stages of the self-assembly process plays in dictating the kinetic stability and the pathological nature of individual oligomeric species.

  9. Performance of the Linear Ion Trap Mass Spectrometer for the Mars Organic Molecule Analyzer (MOMA) Investigation on the 2018 Exomars Rover

    Science.gov (United States)

    Arevalo, Ricardo, Jr.; Brinckerhoff, William B.; Pinnick, Veronica T.; van Amerom, Friso H. W.; Danell, Ryan M.; Li, Xiang; Getty, Stephanie; Hovmand, Lars; Atanassova, Martina; Mahaffy, Paul R.; Chu, Zhiping; Goesmann, Fred; Steininger, Harald

    2014-01-01

    The 2018 ExoMars rover mission includes the Mars Organic Molecule Analyzer (MOMA) investigation. MOMA will examine the chemical composition of samples acquired from depths of up to two meters below the martian surface, where organics may be protected from degradation derived from cosmic radiation and/or oxidative chemical reactions. When combined with the complement of instruments in the rover's Pasteur Payload, MOMA has the potential to reveal the presence of a wide range of organics preserved in a variety of mineralogical environments, and to begin to understand the structural character and potential origin of those compounds. The MOMA investigation is led by the Max Planck Institute for Solar System Research (MPS) with the mass spectrometer subsystem provided by NASA GSFC. MOMA's linear ion trap mass spectrometer (ITMS) is designed to analyze molecular composition of: (i) gas evolved from pyrolyzed powder samples and separated in a gas chromatograph; and, (ii) ions directly desorbed from crushed solid samples at Mars ambient pressure, as enabled by a pulsed UV laser system, fast-actuating aperture valve and capillary ion inlet. Breadboard ITMS and associated electronics have been advanced to high end-to-end fidelity in preparation for flight hardware delivery to Germany in 2015.

  10. Formation of ultracold 7Li85Rb molecules in the lowest triplet electronic state by photoassociation and their detection by ionization spectroscopy

    Science.gov (United States)

    Altaf, Adeel; Dutta, Sourav; Lorenz, John; Pérez-Ríos, Jesús; Chen, Yong P.; Elliott, D. S.

    2015-03-01

    We report the formation of ultracold 7Li85Rb molecules in the a3Σ+ electronic state by photoassociation (PA) and their detection via resonantly enhanced multiphoton ionization (REMPI). With our dual-species Li and Rb magneto-optical trap apparatus, we detect PA resonances with binding energies up to ˜62 cm-1 below the 7Li 2s 2S1/2 + 85Rb 5p 2P1/2 asymptote. In addition, we use REMPI spectroscopy to probe the a3Σ+ state and excited electronic 33Π and 43Σ+ states and identify a3Σ+ (v″ = 7-13), 33Π (vΠ' = 0-10), and 43Σ+ (vΣ' = 0-5) vibrational levels. Our line assignments agree well with ab initio calculations. These preliminary spectroscopic studies on previously unobserved electronic states are crucial to discovering transition pathways for transferring ultracold LiRb molecules created via PA to deeply bound rovibrational levels of the electronic ground state.

  11. Protostellar Interferometric Line Survey (PILS): Constraining the formation of complex organic molecules with ALMA

    Science.gov (United States)

    Jorgensen, Jes K.; Coutens, Audrey; Bourke, Tyler L.; Favre, Cecile; Garrod, Robin; Lykke, Julie; Mueller, Holger; Oberg, Karin I.; Schmalzl, Markus; van der Wiel, Matthijs; van Dishoeck, Ewine; Wampfler, Susanne F.

    2015-08-01

    Understanding how, when and where complex organic and potentially prebiotic molecules are formed is a fundamental goal of astrochemistry and an integral part of origins of life studies. Already now ALMA is showing its capabilities for studies of the chemistry of solar-type stars with its high sensitivity for faint lines, high spectral resolution which limits line confusion, and high angular resolution making it possible to study the structure of young protostars on solar-system scales. We here present the first results from a large unbiased survey “Protostellar Interferometric Line Survey (PILS)” targeting one of the astrochemical template sources, the low-mass protostellar binary IRAS 16293-2422. The survey is more than an order of magnitude more sensitive than previous surveys of the source and provide imaging down to 25 AU scales (radius) around each of the two components of the binary. An example of one of the early highlights from the survey is unambiguous detections of the (related) prebiotic species glycolaldehyde, ethylene glycol (two lowest energy conformers), methyl formate and acetic acid. The glycolaldehyde-ethylene glycol abundance ratio is high in comparison to comets and other protostars - but agrees with previous measurements, e.g., in the Galactic Centre clouds possibly reflecting different environments and/or evolutionary histories. Complete mapping of this and other chemical networks in comparison with detailed chemical models and laboratory experiments will reveal the origin of complex organic molecules in a young protostellar system and investigate the link between these protostellar stages and the early Solar System.

  12. VACUUM TRAP

    Science.gov (United States)

    Gordon, H.S.

    1959-09-15

    An improved adsorption vacuum trap for use in vacuum systems was designed. The distinguishing feature is the placement of a plurality of torsionally deformed metallic fins within a vacuum jacket extending from the walls to the central axis so that substantially all gas molecules pass through the jacket will impinge upon the fin surfaces. T fins are heated by direct metallic conduction, thereby ol taining a uniform temperature at the adeorbing surfaces so that essentially all of the condensible impurities from the evacuating gas are removed from the vacuum system.

  13. Quantum chemical approach for condensed-phase thermochemistry (II): Applications to formation and combustion reactions of liquid organic molecules

    Science.gov (United States)

    Ishikawa, Atsushi; Nakai, Hiromi

    2015-03-01

    The harmonic solvation model (HSM), which was recently developed for evaluating condensed-phase thermodynamics by quantum chemical calculations (Nakai and Ishikawa, 2014), was applied to formation and combustion reactions of simple organic molecules. The conventional ideal gas model (IGM) considerably overestimated the entropies of the liquid molecules. The HSM could significantly improve this overestimation; mean absolute deviations for the Gibbs energies of the formation and combustion reactions were (49.6, 26.7) for the IGM and (9.7, 5.4) for the HSM in kJ/mol.

  14. Antibodies mediate formation of neutrophil extracellular traps in the middle ear and facilitate secondary pneumococcal otitis media.

    Science.gov (United States)

    Short, Kirsty R; von Köckritz-Blickwede, Maren; Langereis, Jeroen D; Chew, Keng Yih; Job, Emma R; Armitage, Charles W; Hatcher, Brandon; Fujihashi, Kohtaro; Reading, Patrick C; Hermans, Peter W; Wijburg, Odilia L; Diavatopoulos, Dimitri A

    2014-01-01

    Otitis media (OM) (a middle ear infection) is a common childhood illness that can leave some children with permanent hearing loss. OM can arise following infection with a variety of different pathogens, including a coinfection with influenza A virus (IAV) and Streptococcus pneumoniae (the pneumococcus). We and others have demonstrated that coinfection with IAV facilitates the replication of pneumococci in the middle ear. Specifically, we used a mouse model of OM to show that IAV facilitates the outgrowth of S. pneumoniae in the middle ear by inducing middle ear inflammation. Here, we seek to understand how the host inflammatory response facilitates bacterial outgrowth in the middle ear. Using B cell-deficient infant mice, we show that antibodies play a crucial role in facilitating pneumococcal replication. We subsequently show that this is due to antibody-dependent neutrophil extracellular trap (NET) formation in the middle ear, which, instead of clearing the infection, allows the bacteria to replicate. We further demonstrate the importance of these NETs as a potential therapeutic target through the transtympanic administration of a DNase, which effectively reduces the bacterial load in the middle ear. Taken together, these data provide novel insight into how pneumococci are able to replicate in the middle ear cavity and induce disease.

  15. Correlation between the inhibition of positronium formation by scavenger molecules, and chemical reaction rate of electrons with these molecules in nonpolar liquids

    Energy Technology Data Exchange (ETDEWEB)

    Levay, B.; Mogensen, O.E.

    1977-03-10

    o-Ps yields were determined in various liquid hydrocarbons, tetramethylsilane, and mixtures thereof as a function of C/sub 2/H/sub 5/Br and CCl/sub 4/ concentration. These molecules are known to be good electron scavengers and positronium inhibitors as well. The spur reaction model of Ps formation predicts a correlation between the inhibition coefficient and the chemical rate constant of electrons with scavenger molecules. We found that the dependence of the inhibition coefficient on the work function (V/sub 0/) of electrons in different liquids shows a very unusual behavior, similar to that recently found for the chemical rate constants of quasifree electrons with the same scavenger molecules. The inhibition coefficient as a function of V/sub 0/ had a maximum for C/sub 2/H/sub 5/Br, while it increased monotonously with decreasing V/sub 0/ for CCl/sub 4/. The inhibition coefficient for C/sub 2/H/sub 5/Br in a 1 : 1 molar tetramethylsilane-n-tetradecane mixture was found to be greater than in both of the pure components. The clear correlation found between electron scavenging rate constants and positronium inhibition constitutes the severest test to date of the spur reaction model of positronium formation. The importance of the positron annihilation method from the point of view of radiation chemistry is also emphasized.

  16. Formation of clusters composed of C{sub 60} molecules via self-assembly in critical fluids

    Energy Technology Data Exchange (ETDEWEB)

    Fukuda, Takahiro [Bio-Nano Electronics Research Centre, Toyo University, 2100, Kujirai, Kawagoe, Saitama 350-8585 (Japan); Ishii, Koji [Bio-Nano Electronics Research Centre, Toyo University, 2100, Kujirai, Kawagoe, Saitama 350-8585 (Japan); Kurosu, Shunji [Bio-Nano Electronics Research Centre, Toyo University, 2100, Kujirai, Kawagoe, Saitama 350-8585 (Japan); Whitby, Raymond [School of Pharmacy and Biomolecular Sciences, University of Brighton, Cockroft Building, Lewes Road, Brighton BN2 4GJ (United Kingdom); Maekawa, Toru [Bio-Nano Electronics Research Centre, Toyo University, 2100, Kujirai, Kawagoe, Saitama 350-8585 (Japan)

    2007-04-11

    Fullerenes are promising candidates for intelligent, functional nanomaterials because of their unique mechanical, electronic and chemical properties. However, it is necessary to invent some efficient but relatively simple methods of producing structures composed of fullerenes for the development of nanomechatronic, nanoelectronic and biochemical devices and sensors. In this paper, we show that various structures such as straight fibres, networks formed by fibres, wide sheets and helical structures, which are composed of C{sub 60} molecules, are created by placing C{sub 60}-crystals in critical ethane, carbon dioxide and xenon even though C{sub 60} molecules do not dissolve or disperse in the above fluids. It is supposed, judging by the intermolecular potentials between C{sub 60} and C{sub 60}, between C{sub 60} and ethane, and between ethane and ethane, that C{sub 60}-clusters grow with the assistance of solvent molecules, which are trapped between C{sub 60} molecules under critical conditions. This room-temperature self-assembly cluster growth process in critical fluids may open up a new methodology of forming structures built up with fullerenes without the need for any ultra-fine processing technologies.

  17. Lyman alpha emission from the first galaxies: Implications of UV backgrounds and the formation of molecules

    CERN Document Server

    Latif, M A; Spaans, M; Zaroubi, S

    2011-01-01

    The Lyman alpha line is a robust tracer of high redshift galaxies. We present estimates of Lyman alpha emission from a protogalactic halo illuminated by UV background radiation fields with various intensities. For this purpose, we performed cosmological hydrodynamics simulations with the adaptive mesh refinement code FLASH, including a detailed network for primordial chemistry,comprising the formation of primordial molecules, a multi-level model for the hydrogen atom as well as the photo-ionization and photo-dissociation processes in a UV background. We find that the presence of a background radiation field J_21 excites the emission of Lyman alpha photons, increasing the Lyman alpha luminosity up to two orders of magnitude. For a halo of \\sim 10^10 M_sun, we find that a maximum flux of 5 \\times 10^-15 erg cm^-2 s^-1 is obtained for J21 \\times f_esc = 0.1, where f_esc is the escape fraction of the ionizing radiation. Depending on the environmental conditions, the flux may vary by three orders of magnitude. For...

  18. Correlation between the Inhibition of Positronium Formation by Scavenger Molecules, and Chemical Reaction Rate of Electrons with these Molecules in Nonpolar Liquids

    DEFF Research Database (Denmark)

    Levay, B.; Mogensen, O. E.

    1977-01-01

    a correlation between the inhibition coefficient and the chemical rate constant of electrons with scavenger molecules. We found that the dependence of the inhibition coefficient on the work function (VOo)f electrons in different liquids shows a very unusual behavior, similar to that recently found...... for the chemical rate constants of quasifree electrons with the same scavenger molecules. The inhibition coefficient as a function of Vo had a maximum for C2HsBr, while it increased monotonously with decreasing V, for CC14. The inhibition coefficient for C2H5Br in a 1:l molar tetramethylsilane......-n-tetradecane mixture was found to be greater than in both of the pure components. The clear correlation found between electron scavenging rate constants and positronium inhibition constitutes the severest test to date of the spur reaction model of positronium formation. The importance of the positron annihilation...

  19. Intermediate Scale Laboratory Testing to Understand Mechanisms of Capillary and Dissolution Trapping during Injection and Post-Injection of CO2 in Heterogeneous Geological Formations

    Energy Technology Data Exchange (ETDEWEB)

    Illangasekare, Tissa [Colorado School of Mines, Golden, CO (United States); Trevisan, Luca [Colorado School of Mines, Golden, CO (United States); Agartan, Elif [Colorado School of Mines, Golden, CO (United States); Mori, Hiroko [Colorado School of Mines, Golden, CO (United States); Vargas-Johnson, Javier [Colorado School of Mines, Golden, CO (United States); Gonzalez-Nicolas, Ana [Colorado School of Mines, Golden, CO (United States); Cihan, Abdullah [Colorado School of Mines, Golden, CO (United States); Birkholzer, Jens [Colorado School of Mines, Golden, CO (United States); Zhou, Quanlin [Colorado School of Mines, Golden, CO (United States)

    2015-03-31

    Carbon Capture and Storage (CCS) represents a technology aimed to reduce atmospheric loading of CO2 from power plants and heavy industries by injecting it into deep geological formations, such as saline aquifers. A number of trapping mechanisms contribute to effective and secure storage of the injected CO2 in supercritical fluid phase (scCO2) in the formation over the long term. The primary trapping mechanisms are structural, residual, dissolution and mineralization. Knowledge gaps exist on how the heterogeneity of the formation manifested at all scales from the pore to the site scales affects trapping and parameterization of contributing mechanisms in models. An experimental and modeling study was conducted to fill these knowledge gaps. Experimental investigation of fundamental processes and mechanisms in field settings is not possible as it is not feasible to fully characterize the geologic heterogeneity at all relevant scales and gathering data on migration, trapping and dissolution of scCO2. Laboratory experiments using scCO2 under ambient conditions are also not feasible as it is technically challenging and cost prohibitive to develop large, two- or three-dimensional test systems with controlled high pressures to keep the scCO2 as a liquid. Hence, an innovative approach that used surrogate fluids in place of scCO2 and formation brine in multi-scale, synthetic aquifers test systems ranging in scales from centimeter to meter scale developed used. New modeling algorithms were developed to capture the processes controlled by the formation heterogeneity, and they were tested using the data from the laboratory test systems. The results and findings are expected to contribute toward better conceptual models, future improvements to DOE numerical codes, more accurate assessment of storage capacities, and optimized placement strategies. This report presents the experimental and modeling methods

  20. On the formation of molecules and solid-state compounds from the AGB to the PN phases

    CERN Document Server

    Garcia-Hernandez, D A

    2016-01-01

    During the asymptoyic giant branch (AGB) phase, different elements are dredge-up to the stellar surface depending on progenitor mass and metallicity. When the mass loss increases at the end of the AGB, a circumstellar dust shell is formed, where different (C-rich or O-rich) molecules and solid-state compounds are formed. These are further processed in the transition phase between AGB stars and planetary nebulae (PNe) to create more complex organic molecules and inorganic solid-state compounds (e.g., polycyclic aromatic hydrocarbons, fullerenes, and graphene precursors in C-rich environments and oxides and crystalline silicates in O-rich ones). We present an observational review of the different molecules and solid-state materials that are formed from the AGB to the PN phases. We focus on the formation routes of complex fullerene (and fullerene-based) molecules as well as on the level of dust processing depending on metallicity.

  1. On the formation of molecules and solid-state compounds from the AGB to the PN phases

    Science.gov (United States)

    García-Hernández, D. A.; Manchado, A.

    2016-07-01

    During the asymptoyic giant branch (AGB) phase, different elements are dredge- up to the stellar surface depending on progenitor mass and metallicity. When the mass loss increases at the end of the AGB, a circumstellar dust shell is formed, where different (C-rich or O-rich) molecules and solid-state compounds are formed. These are further processed in the transition phase between AGB stars and planetary nebulae (PNe) to create more complex organic molecules and inorganic solid-state compounds (e.g., polycyclic aromatic hydrocarbons, fullerenes, and graphene precursors in C-rich environments and oxides and crystalline silicates in O-rich ones). We present an observational review of the different molecules and solid-state materials that are formed from the AGB to the PN phases. We focus on the formation routes of complex fullerene (and fullerene-based) molecules as well as on the level of dust processing depending on metallicity.

  2. Probing Intracellular Element Concentration Changes during Neutrophil Extracellular Trap Formation Using Synchrotron Radiation Based X-Ray Fluorescence

    Science.gov (United States)

    Niemiec, Maria J.; Laforce, Brecht; Garrevoet, Jan; Vergucht, Eva; De Rycke, Riet; Cloetens, Peter; Urban, Constantin F.; Vincze, Laszlo

    2016-01-01

    High pressure frozen (HPF), cryo-substituted microtome sections of 2 μm thickness containing human neutrophils (white blood cells) were analyzed using synchrotron radiation based X-ray fluorescence (SR nano-XRF) at a spatial resolution of 50 nm. Besides neutrophils from a control culture, we also analyzed neutrophils stimulated for 1–2 h with phorbol myristate acetate (PMA), a substance inducing the formation of so-called Neutrophil Extracellular Traps (or NETs), a defense system again pathogens possibly involving proteins with metal chelating properties. In order to gain insight in metal transport during this process, precise local evaluation of elemental content was performed reaching limits of detection (LODs) of 1 ppb. Mean weight fractions within entire neutrophils, their nuclei and cytoplasms were determined for the three main elements P, S and Cl, but also for the 12 following trace elements: K, Ca, Mn, Fe, Co, Ni, Cu, Zn, Se, Br, Sr and Pb. Statistical analysis, including linear regression provided objective analysis and a measure for concentration changes. The nearly linear Ca and Cl concentration changes in neutrophils could be explained by already known phenomena such as the induction of Ca channels and the uptake of Cl under activation of NET forming neutrophils. Linear concentration changes were also found for P, S, K, Mn, Fe, Co and Se. The observed linear concentration increase for Mn could be related to scavenging of this metal from the pathogen by means of the neutrophil protein calprotectin, whereas the concentration increase of Se may be related to its antioxidant function protecting neutrophils from the reactive oxygen species they produce against pathogens. We emphasize synchrotron radiation based nanoscopic X-ray fluorescence as an enabling analytical technique to study changing (trace) element concentrations throughout cellular processes, provided accurate sample preparation and data-analysis. PMID:27812122

  3. Assembly of an allenylidene ligand, a terminal alkyne, and an acetonitrile molecule: formation of osmacyclopentapyrrole derivatives.

    Science.gov (United States)

    Bolaño, Tamara; Castarlenas, Ricardo; Esteruelas, Miguel A; Oñate, Enrique

    2006-03-29

    Treatment in acetonitrile at -30 C of the hydride-alkenylcarbyne complex [OsH([triple bond]CCH=CPh2)(CH3CN)2(P(i)Pr3)2][BF4]2 (1) with (t)BuOK produces the selective deprotonation of the alkenyl substituent of the carbyne and the formation of the bis-solvento hydride-allenylidene derivative [OsH(=C=C=CPh2)(CH3CN)2(P(i)Pr3)2]BF4 (2), which under carbon monoxide atmosphere is converted into [Os(CH=C=CPh2)(CO)(CH3CN)2(P(i)Pr3)2]BF4 (3). When the treatment of 1 with (t)BuOK is carried out in dichloromethane at room temperature, the fluoro-alkenylcarbyne [OsHF([triple bond]CCH=CPh2)(CH3CN)(P(i)Pr3)2]BF4 (4) is isolated. Complex 2 reacts with terminal alkynes. The reactions with phenylacetylene and cyclohexylacetylene afford [Os[(E)-CH=CHR](=C=C=CPh2)(CH3CN)2(P(i)Pr3)2]BF4 (R = Ph (5), Cy (6)), containing an alkenyl ligand beside the allenylidene, while the reaction with acetylene in dichloromethane at -20 degrees C gives the hydride-allenylidene-pi-alkyne [OsH(=C=C=CPh2)(eta2-HC[triple bond]CH)(P(i)Pr3)2]BF4 (7), with the alkyne acting as a four-electron donor ligand. In acetonitrile under reflux, complexes 5 and 6 are transformed into the osmacyclopentapyrrole compounds [Os[C=C(CPh2CR=CH)CMe=NH](CH3CN)2]BF4 (R = Ph (8), Cy (9)), as a result of the assembly of the allenylidene ligand, the alkenyl group, and an acetonitrile molecule. The X-ray structures of 2, 5, and 8 are also reported.

  4. A DFT study of the interaction between large PAHs and atomic chlorine or hydrogen chloride molecule: Toward a modelling of the influence of chlorinated species on the trapping of water by soot

    Science.gov (United States)

    Garcia-Fernandez, C.; Radola, B.; Martin-Gondre, L.; Picaud, S.; Rayez, M. T.; Rayez, J. C.; Ouf, F. X.; Rubayo-Soneira, J.

    2017-02-01

    First-principle calculations have been performed to characterize the interaction of chlorinated species (HCl and Cl) with large polycyclic aromatic hydrocarbon (PAH) molecules and radicals. Whereas the characterization of the interaction process on the face of the PAH molecules requires taking into account long-range dispersion interactions in the calculations, trapping at the edge of PAH radicals involves stronger interactions that lead to the dissociation of the HCl molecule. Then, the first steps of water adsorption on the corresponding chlorinated species has been characterized, showing that chlorine may act as an efficient nucleation center for water molecules on such aromatic systems mimicking part of the carbonaceous surfaces that are likely present in soot. These results represent a first but necessary step for a better understanding of soot behavior in industrial or domestic fire situations.

  5. Photon-HDF5: open data format and computational tools for timestamp-based single-molecule experiments

    Science.gov (United States)

    Ingargiola, Antonino; Laurence, Ted; Boutelle, Robert; Weiss, Shimon; Michalet, Xavier

    2016-02-01

    Archival of experimental data in public databases has increasingly become a requirement for most funding agencies and journals. These data-sharing policies have the potential to maximize data reuse, and to enable confirmatory as well as novel studies. However, the lack of standard data formats can severely hinder data reuse. In photon-counting-based single-molecule fluorescence experiments, data is stored in a variety of vendor-specific or even setup-specific (custom) file formats, making data interchange prohibitively laborious, unless the same hardware-software combination is used. Moreover, the number of available techniques and setup configurations make it difficult to find a common standard. To address this problem, we developed Photon-HDF5 (www.photon-hdf5.org), an open data format for timestamp-based single-molecule fluorescence experiments. Building on the solid foundation of HDF5, Photon- HDF5 provides a platform- and language-independent, easy-to-use file format that is self-describing and supports rich metadata. Photon-HDF5 supports different types of measurements by separating raw data (e.g. photon-timestamps, detectors, etc) from measurement metadata. This approach allows representing several measurement types and setup configurations within the same core structure and makes possible extending the format in backward-compatible way. Complementing the format specifications, we provide open source software to create and convert Photon- HDF5 files, together with code examples in multiple languages showing how to read Photon-HDF5 files. Photon- HDF5 allows sharing data in a format suitable for long term archival, avoiding the effort to document custom binary formats and increasing interoperability with different analysis software. We encourage participation of the single-molecule community to extend interoperability and to help defining future versions of Photon-HDF5.

  6. Advanced Resolution Organic Molecule Analyzer (AROMA): Simulations, Development and Initial Testing of a Linear Ion Trap-Orbitrap Instrument for Space

    Science.gov (United States)

    Arevalo, R.; Danell, R. M.; Gundersen, C.; Hovmand, L.; Southard, A.; Tan, F.; Grubisic, A.; Brinckerhoff, W. B.; Getty, S. A.; Mahaffy, P.; Cottin, H.; Briois, C.; Colin, F.; Szopa, C.; Vuitton, V.; Makarov, A.; Reinhardt-Szyba, M.

    2016-10-01

    AROMA combines a linear ion trap and Orbitrap mass analyzer to enable: quantitative measurements of organic and inorganic compounds; selective isolation of targeted mass ranges; tandem mass spectrometry; and, ultrahigh mass resolution and accuracy.

  7. Bacteria can mobilize nematode-trapping fungi to kill nematodes.

    Science.gov (United States)

    Wang, Xin; Li, Guo-Hong; Zou, Cheng-Gang; Ji, Xing-Lai; Liu, Tong; Zhao, Pei-Ji; Liang, Lian-Ming; Xu, Jian-Ping; An, Zhi-Qiang; Zheng, Xi; Qin, Yue-Ke; Tian, Meng-Qing; Xu, You-Yao; Ma, Yi-Cheng; Yu, Ze-Fen; Huang, Xiao-Wei; Liu, Shu-Qun; Niu, Xue-Mei; Yang, Jin-Kui; Huang, Ying; Zhang, Ke-Qin

    2014-12-16

    In their natural habitat, bacteria are consumed by bacterivorous nematodes; however, they are not simply passive preys. Here we report a defensive mechanism used by certain bacteria to mobilize nematode-trapping fungi to kill nematodes. These bacteria release urea, which triggers a lifestyle switch in the fungus Arthrobotrys oligospora from saprophytic to nematode-predatory form; this predacious form is characterized by formation of specialized cellular structures or 'traps'. The bacteria significantly promote the elimination of nematodes by A. oligospora. Disruption of genes involved in urea transport and metabolism in A. oligospora abolishes the urea-induced trap formation. Furthermore, the urea metabolite ammonia functions as a signal molecule in the fungus to initiate the lifestyle switch to form trap structures. Our findings highlight the importance of multiple predator-prey interactions in prey defense mechanisms.

  8. Prospects for the formation of ultracold polar ground state KCs molecules via an optical process

    CERN Document Server

    Borsalino, D; Aymar, M; Luc-Koenig, E; Dulieu, O; Bouloufa-Maafa, N

    2015-01-01

    Heteronuclear alkali-metal dimers represent the class of molecules of choice for creating samples of ultracold molecules exhibiting an intrinsic large permanent electric dipole moment. Among them, the KCs molecule, with a permanent dipole moment of 1.92 Debye still remains to be observed in ultracold conditions. Based on spectroscopic studies available in the literature completed by accurate ab initio calculations, we propose several optical coherent schemes to create ultracold bosonic and fermionic KCs molecules in their absolute rovibrational ground level, starting from a weakly bound level of their electronic ground state manifold. The processes rely on the existence of convenient electronically excited states allowing an efficient stimulated Raman adiabatic transfer of the level population.

  9. Unraveling the Timing of Fluid Migration and Trap Formation in the Brooks Range Foothills: A Key to Discovering Hydrocarbons

    Energy Technology Data Exchange (ETDEWEB)

    Catherine L. Hanks

    2008-12-31

    Naturally occurring fractures can play a key role in the evolution and producibility of a hydrocarbon accumulation. Understanding the evolution of fractures in the Brooks Range/Colville basin system of northern Alaska is critical to developing a better working model of the hydrocarbon potential of the region. This study addressed this problem by collecting detailed and regional data on fracture distribution and character, structural geometry, temperature, the timing of deformation along the Brooks Range rangefront and adjacent parts of the Colville basin, and the in situ stress distribution within the Colville basin. This new and existing data then were used to develop a model of how fractures evolved in northern Alaska, both spatially and temporally. The results of the study indicate that fractures formed episodically throughout the evolution of northern Alaska, due to a variety of mechanisms. Four distinct fracture sets were observed. The earliest fractures formed in deep parts of the Colville basin and in the underlying Ellesmerian sequence rocks as these rocks experienced compression associated with the growing Brooks Range fold-and-thrust belt. The orientation of these deep basin fractures was controlled by the maximum in situ horizontal stress in the basin at the time of their formation, which was perpendicular to the active Brooks Range thrust front. This orientation stayed consistently NS-striking for most of the early history of the Brooks Range and Colville basin, but changed to NW-striking with the development of the northeastern Brooks Range during the early Tertiary. Subsequent incorporation of these rocks into the fold-and-thrust belt resulted in overprinting of these deep basin fractures by fractures caused by thrusting and related folding. The youngest fractures developed as rocks were uplifted and exposed. While this general order of fracturing remains consistent across the Brooks Range and adjacent Colville basin, the absolute age at any one

  10. Multiple scale physical and numerical modeling for improved understanding of mechanisms of trapping and leakage of CO2 in deep geologic formations

    Science.gov (United States)

    Illangasekare, T.; Plampin, M.; Trevisan, L.; Agartan, E.; Mori, H.; Sakaki, T.; Cihan, A.; Birkholzer, J.; Zhou, Q.; Pawar, R.; Zyvoloski, G.

    2012-04-01

    The fundamental processes associated with trapping and leakage of CO2 in deep geologic formations are complex. Formation heterogeneity manifested at all scales is expected to affect capillary and dissolution trapping and leakage of gaseous CO2 to the shallow subsurface. Research is underway to improve our fundamental understanding of trapping and leakage. This research involves experimentation in multiple scales and modeling focusing on effects of formation heterogeneity. The primary hypothesis that drives this research is that when the effects of heterogeneity on entrapment and leakage are understood, it will be possible to design more effective and safe storage schemes. Even though field investigations have some value in understanding issues related to large scale behavior and performance assessment, a fundamental understanding of how the heterogeneity affects trapping is difficult or impossible to obtain in field settings. Factors that contribute to these difficulties are the inability to fully characterize the formation heterogeneity at all scales of interest and lack of experimental control at very high depths. Intermediate scale physical model testing provides an attractive alternative to investigate these processes in the laboratory. Heterogeneities can be designed using soils with known properties in test tanks and the experiments can be conducted under controlled conditions to obtain accurate data. Conducting laboratory experiments under ambient pressure and temperature conditions to understand the processes that occur in deep formations poses many challenges. This research attempts to address such challenges and demonstrates how this testing approach could be used to generate useful data. The experiments involve the use of test systems of hierarchy of scales from small to intermediate scale tanks (~ 5 m) and long columns (~ 4.5 m). These experiments use surrogate fluids to investigate both capillary and solubility trapping in homogeneous and heterogeneous

  11. Direct demonstration of nitric oxide formation in organs of rabbits treated by transdermal glyceryl trinitrate using an in vivo spin trapping technique.

    Science.gov (United States)

    Clermont, Gaëlle; Lecour, Sandrine; Vergely, Catherine; Zeller, Marianne; Perrin, Caroline; Maupoil, Véronique; Bouchot, Olivier; Rochette, Luc

    2003-12-01

    Glyceryl trinitrate (GTN) is commonly delivered by a patch for the treatment of angina pectoris. The idea is now generally accepted that GTN requires a biotransformation process that activates the drug, in particular through nitric oxide (NO) generation. However, the pharmacokinetics of NO delivery from GTN still remains obscure. The objective of this study was to assess GTN-derived NO formation in vascular tissues and organs in rabbit given GTN patches. NO levels were evaluated in rabbits after 3 h of treatment with a 10 mg GTN patch (GTN group; n = 7) or a placebo patch (CTL; n = 7). Nitrosylhaemoglobin (HbNO) was evaluated by electron spin resonance (ESR) spectroscopy in red cell suspension. In vivo spin trapping technique using FeMGD as a spin trap, associated with ESR was used to quantify NO in tissues. The NO-spin trap complex, which is a relatively stable product, has been measured in several tissues. The ESR spectrum corresponding to HbNO was not found in red cell of GTN or CTL rabbits. The spectrum corresponding to the NO-spin trap complex was observed in all analysed tissues of CTL rabbits. The signal was significantly increased in liver, renal medulla, heart left ventricle and spleen of GTN-treated rabbits, and to a lesser extent in right ventricle and lung. No difference was shown between NO-spin trap levels measured in aorta or inferior vena cava from GTN or CTL rabbits. These data suggest that GTN patch treatment induced NO release, and that tissue-specific differences in transdermal GTN-derived NO exist. The GTN-NO pathway appears to be largely involved in organs such as the liver, kidney and heart.

  12. Proton transfer in hydrogen-bonded network of phenol molecules: intracluster formation of water.

    Science.gov (United States)

    Lengyel, Jozef; Gorejová, Radka; Herman, Zdeněk; Fárník, Michal

    2013-11-07

    Electron ionization and time-of-flight mass spectrometry was used to investigate the phenol clusters (PhOH)n of different size from single molecule to large clusters: in coexpansion with He, the dimers n = 2 are mostly generated; in Ar, large species of n ≥ 10 also occur. Besides [(PhOH)n](+•) cluster ion series, hydrated phenol cluster ions [(PhOH)n·xH2O](+•) with up to x = 3 water molecules and dehydrated phenol clusters [(PhOH)n-H2O](+•) were observed. The hydrated phenol series exhibits minima and maxima that are interpreted as evidence for proton transfer between the hydrogen bonded cluster ions of cyclic structures. The proton transfer leads to a water generation within the clusters, and subsequent elimination of the diphenyl ether molecule(s) from the cluster yields the hydrated phenol cluster ions. Alternatively, a water molecule release yields a series of dehydrated phenols, among which the diphenyl ether ion [PhOPh](+•) (n = 2) constitutes the maximum.

  13. Mathematical simulation of complex formation of protein molecules allowing for their domain structure

    Science.gov (United States)

    Koshlan, T. V.; Kulikov, K. G.

    2017-04-01

    A physical model of the interactions between protein molecules has been presented and an analysis of their propensity to form complex biological complexes has been performed. The reactivities of proteins have been studied using electrostatics methods based on the example of the histone chaperone Nap1 and histones H2A and H2B. The capability of proteins to form stable biological complexes that allow for different segments of amino acid sequences has been analyzed. The ability of protein molecules to form compounds has been considered by calculating matrices of electrostatic potential energy of amino acid residues constituting the polypeptide chain. The method of block matrices has been used in the analysis of the ability of protein molecules to form complex biological compounds.

  14. Formation of ultracold metastable RbCs molecules by short-range photoassociation

    CERN Document Server

    Gabbanini, C

    2011-01-01

    Ultracold metastable RbCs molecules are observed in a double species MOT through photoassociation near the Rb(5S$_{1/2}$)+Cs(6P$_{3/2}$) dissociation limit followed by radiative stabilization. The molecules are formed in their lowest triplet electronic state and are detected by resonant enhanced two-photon ionization through the previously unobserved $(3)^{3}\\Pi \\leftarrow a^{3}\\Sigma^{+}$ band. The large rotational structure of the observed photoassociation lines is assigned to the lowest vibrational levels of the $0^+,0^-$ excited states correlated to the Rb(5P$_{1/2}$)+Cs(6S$_{1/2}$) dissociation limit. This demonstrates the possibility to induce direct photoassociation in heteronuclear alkali-metal molecules at short internuclear distance, as pointed out in [J. Deiglmayr \\textit{et al.}, Phys. Rev. Lett. \\textbf{101}, 13304 (2008)].

  15. Intermediate-Scale Investigation of Capillary and Dissolution Trapping during CO2 Injection and Post-Injection in Heterogeneous Geological Formations

    Science.gov (United States)

    Cihan, A.; Illangasekare, T. H.; Zhou, Q.; Birkholzer, J. T.; Rodriguez, D.

    2010-12-01

    The capillary and dissolution trapping processes are believed to be major trapping mechanisms during CO2 injection and post-injection in heterogeneous subsurface environments. These processes are important at relatively shorter time periods compared to mineralization and have a strong impact on storage capacity and leakage risks, and they are suitable to investigate at reasonable times in the laboratory. The objectives of the research presented is to investigate the effect of the texture transitions and variability in heterogeneous field formations on the effective capillary and dissolution trapping at the field scale through multistage analysis comprising of experimental and modeling studies. A series of controlled experiments in intermediate-scale test tanks are proposed to investigate the key processes involving (1) viscous fingering of free-phase CO2 along high-permeability (or high-K) fast flow pathways, (2) dynamic intrusion of CO2 from high-K zones into low-K zones by capillarity (as well as buoyancy), (3) diffusive transport of dissolved CO2 into low-K zones across large interface areas, and (4) density-driven convective mass transfer into CO2-free regions. The test tanks contain liquid sampling ports to measure spatial and temporal changes in concentration of dissolved fluid as the injected fluid migrates. In addition to visualization and capturing images through digital photography, X-ray and gamma attenuation methods are used to measure phase saturations. Heterogeneous packing configurations are created with tightly packed sands ranging from very fine to medium fine to mimic sedimentary rocks at potential storage formations. Effect of formation type, injection pressure and injection rate on trapped fluid fraction are quantified. Macroscopic variables such as saturation, pressure and concentration that are measured will be used for testing the existing macroscopic models. The applicability of multiphase flow theories will be evaluated by comparing with

  16. High-affinity small molecule-phospholipid complex formation: binding of siramesine to phosphatidicacid

    DEFF Research Database (Denmark)

    Khandelia, Himanshu

    2008-01-01

    , comparable to the affinities for the binding of small molecule ligands to proteins, was measured for phosphatidic acid (PA, mole fraction of XPA ) 0.2 in phosphatidylcholine vesicles), yielding a molecular partition coefficient of 240 ( 80 × 106. An MD simulation on the siramesine:PA interaction...

  17. Feedback traps for virtual potentials

    CERN Document Server

    Gavrilov, Momčilo

    2016-01-01

    Feedback traps are tools for trapping and manipulating single charged objects, such as molecules in solution. An alternative to optical tweezers and other single-molecule techniques, they use feedback to counteract the Brownian motion of a molecule of interest. The trap first acquires information about a molecule's position and then applies an electric feedback force to move the molecule. Since electric forces are stronger than optical forces at small scales, feedback traps are the best way to trap single molecules without "touching" them. Feedback traps can do more than trap molecules: They can also subject a target object to forces that are calculated to be the gradient of a desired potential function U(x). If the feedback loop is fast enough, it creates a virtual potential whose dynamics will be very close to those of a particle in an actual potential U(x). But because the dynamics are entirely a result of the feedback loop--absent the feedback, there is only an object diffusing in a fluid--we are free to ...

  18. Resonant Formation of $d\\mu t$ Molecules in Deuterium An Atomic Beam Measurement of Muon Catalyzed dt Fusion

    CERN Document Server

    Fujiwara, M C; Bailey, J M; Beer, G A; Beveridge, J L; Faifman, M P; Huber, T M; Kammel, P; Kim, S K; Knowles, P E; Kunselman, A R; Maier, M; Markushin, V E; Marshall, G M; Martoff, C J; Mason, G R; Mulhauser, F; Olin, A; Petitjean, C; Porcelli, T A; Wozniak, J; Zmeskal, J

    2000-01-01

    Resonant formation of $d\\mu t$ molecules in collisions of muonic tritium ($\\mu t$) on D$_2$ was investigated using a beam of $\\mu t$ atoms, demonstrating a new direct approach in muon catalyzed fusion studies. Strong epithermal resonances in $d\\mu t$ formation were directly revealed for the first time. From the time-of-flight analysis of $2036\\pm 116$ $dt$ fusion events, a formation rate consistent with $0.73\\pm (0.16)_{meas} \\pm (0.09)_{model}$ times the theoretical prediction was obtained. For the largest peak at a resonance energy of $0.423 \\pm 0.037$ eV, this corresponds to a rate of $(7.1 \\pm 1.8) \\times 10^9$ s$^{-1}$, more than an order of magnitude larger than those at low energies.

  19. Formation of GSH-trapped reactive metabolites in human liver microsomes, S9 fraction, HepaRG-cells, and human hepatocytes.

    Science.gov (United States)

    Lassila, Toni; Rousu, Timo; Mattila, Sampo; Chesné, Christophe; Pelkonen, Olavi; Turpeinen, Miia; Tolonen, Ari

    2015-11-10

    The objective was to compare several in vitro human liver-derived subcellular and cellular incubation systems for the formation of GSH-trapped reactive metabolites. Incubations of pooled human liver microsomes, human liver S9 fractions, HepaRG-cells, and human hepatocytes were performed with glutathione as a trapping agent. Experiments with liver S9 were performed under two conditions, using only NADPH and using a full set of cofactors enabling also conjugative metabolism. Ten structurally different compounds were used as a test set, chosen as either "positive" (ciprofloxacin, clozapine, diclofenac, ethinyl estradiol, pulegone, and ticlopidine) or "negative" (caffeine, citalopram, losartan, montelukast) compounds, based on their known adverse reactions on liver or bone marrow. GSH conjugates were observed for seven of the ten compounds; while no conjugates were observed for caffeine, citalopram, or ciprofloxacin. Hepatocyte and HepaRG assays produced a clearly lower number and lower relative abundance of GSH conjugates compared to assays with microsomes and S9 fractions. The major GSH conjugates were different for many compounds in cellular subfractions and cell-based systems. Hepatocytes generally produced a higher number of GSH conjugates than HepaRG cells, although the differences were minor. The results show that the hepatic enzyme system used for screening of GSH-trapped reactive metabolites do have a high impact on the results, and results between different systems are comparable only qualitatively. Copyright © 2015 Elsevier B.V. All rights reserved.

  20. Photo-assisted intersystem crossing: The predominant triplet formation mechanism in some isolated polycyclic aromatic molecules excited with pulsed lasers

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Philip M., E-mail: Philip.johnson@stonybrook.edu [Department of Chemistry, Stony Brook University, Stony Brook, New York 11794-3400 (United States); Sears, Trevor J. [Department of Chemistry, Stony Brook University, Stony Brook, New York 11794-3400 (United States); Department of Chemistry, Brookhaven National Laboratory, Upton, New York 11973 (United States)

    2015-07-28

    Naphthalene, anthracene, and phenanthrene are shown to have very long-lived triplet lifetimes when the isolated molecules are excited with nanosecond pulsed lasers resonant with the lowest singlet state. For naphthalene, triplet state populations are created only during the laser pulse, excluding the possibility of normal intersystem crossing at the one photon level, and all molecules have triplet lifetimes greater than hundreds of microseconds, similar to the behavior previously reported for phenylacetylene. Although containing 7–12 thousand cm{sup −1} of vibrational energy, the triplet molecules have ionization thresholds appropriate to vibrationless T{sub 1} states. The laser power dependences (slopes of log-log power plots) of the excited singlet and triplet populations are about 0.7 for naphthalene and about 0.5 for anthracene. Kinetic modeling of the power dependences successfully reproduces the experimental results and suggests that the triplet formation mechanism involves an enhanced spin orbit coupling caused by sigma character in states at the 2-photon level. Symmetry adapted cluster-configuration interaction calculations produced excited state absorption spectra to provide guidance for estimating kinetic rates and the sigma character present in higher electronic states. It is concluded that higher excited state populations are significant when larger molecules are excited with pulsed lasers and need to be taken into account whenever discussing the molecular photodynamics.

  1. Formation of ultracold SrYb molecules in an optical lattice by photoassociation spectroscopy: theoretical prospects

    CERN Document Server

    Tomza, Michal; Jeziorska, Malgorzata; Koch, Christiane P; Moszynski, Robert

    2011-01-01

    State-of-the-art {\\em ab initio} techniques have been applied to compute the potential energy curves for the SrYb molecule in the Born-Oppenheimer approximation for the ground state and first fifteen excited singlet and triplet states within the coupled-cluster framework. The leading long-range coefficients describing the dispersion interactions at large interatomic distances are also reported. The electric transition dipole moments have been obtained as the first residue of the polarization propagator computed with the linear response coupled-cluster method restricted to single and double excitations. Spin-orbit coupling matrix elements have been evaluated using the multireference configuration interaction method restricted to single and double excitations with a large active space. The electronic structure data was employed to investigate the possibility of forming deeply bound ultracold SrYb molecules in an optical lattice in a photoassociation experiment using continuous-wave lasers. Photoassociation near...

  2. Dipolariton formation in quantum dot molecules strongly coupled to optical resonators

    CERN Document Server

    Domínguez, Marlon S; Ramírez, Hanz Y

    2016-01-01

    In this theoretical work, we study a double quantum dot interacting strongly with a microcavity, while undergoing resonant tunneling. Effects of interdot tunneling on the light-matter hybridized states are determined, and tunability of their brightness degrees and associated dipole moments is demonstrated. These results predict dipolariton generation in artificial molecules coupled to optical resonators, and provide a promising scenario for control of emission efficiency and coherence times of exciton polaritons.

  3. Structure formation in adsorbed overlayers comprising functional cross-shaped molecules: A Monte Carlo study

    Science.gov (United States)

    Kasperski, Adam; Nieckarz, Damian; Szabelski, Paweł

    2015-11-01

    Surface confined self-assembly of functional star-shaped organic molecules is a promising method to create nanoporous networks with tailorable structure and functions. In this work we use the Monte Carlo simulation method to demonstrate how the morphology of these supramolecular assemblies can be tuned by manipulating intrinsic parameters of the building blocks and modified by the presence of co-adsorbed metal atoms. To that purpose we study the 2D self-assembly of planar cruciform molecules modeled as collections of interconnected segments, some of which were activated to represent discrete interaction centers. We consider a few exemplary adsorbed systems in which the molecules with different size, aspect ratio and intramolecular distribution of active centers form superstructures stabilized by short-range segment-segment interactions or by metal-segment interactions. These two situations correspond to supramolecular assemblies sustained by, for example, hydrogen bonding and metal-organic ligand coordination, respectively. The simulated results show that proper encoding of intramolecular interactions into the cruciform building bricks allows for directing the self-assembly towards largely diversified structures ranging from nanoclusters to porous grids. The obtained findings can facilitate designing and optimization of molecular networks comprising cross-shaped units including functionalized porphyrins and phthalocyanines and they can be helpful in preliminary selection of these building blocks.

  4. Investigation of interface dipole formation of dithiocarbamate molecules on gold by density functional theory and photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Schaefer, Tobias; Schulz, Philip; Meyer, Dominik; Wuttig, Matthias [I. Physikalisches Institut, RWTH Aachen University (Germany); Mazzarello, Riccardo [Institut fuer Theoretische Physik C, RWTH Aachen University (Germany)

    2011-07-01

    One of the main challenges in constructing organic optoelectronic devices is to control the charge carrier injection between the active organic material and metal contact electrodes. The insertion of a self assembled monolayer (SAM) between the organic/inorganic interface depicts an advantageous way to align the metal work function to the frontier molecular orbitals of adjacent organic species. In this study Dithiocarbamate terminated molecules (DTC) on gold have been investigated as a potential SAM building block. Photoelectron Spectroscopy reveals a strong lowering of the metal work function upon adsorption of DTC molecules. Hence, calculations employing density functional theory (DFT) have been conducted in order to correlate this effect to the formation of a layer of permanent as well as induced dipoles.

  5. Determination of paleo-pressure for a natural gas pool formation based on PVT characteristics of fluid inclusions in reservoir rocks--A case study of Upper-Paleozoic deep basin gas trap of the Ordos Basin

    Institute of Scientific and Technical Information of China (English)

    MI Jingkui; XIAO Xianming; LIU Dehan; SHEN Jiagui

    2004-01-01

    It has been proved to be a difficult problem to determine directly trapping pressure of fluid inclusions. Recently, PVT simulation softwares have been applied to simulating the trapping pressure of petroleum inclusions in reservoir rocks, but the reported methods have many limitations in practice. In this paper, a method is suggested to calculating the trapping pressure and temperature of fluid inclusions by combining the isochore equations of a gas-bearing aqueous inclusion with its coeval petroleum inclusions. A case study was conducted by this method for fluid inclusions occurring in the Upper-Paleozoic Shanxi Formation reservoir sandstones from the Ordos Basin. The results show that the trapping pressure of these inclusions ranges from 21 to 32 MPa, which is 6-7 MPa higher than their minimum trapping pressure although the trapping temperature is only 2-3℃ higher than the homogenization temperature. The trapping pressure and temperature of the fluid inclusions decrease from southern area to northern area of the basin.The trapping pressure is obviously lower than the state water pressures when the inclusions formed. These data are consistent with the regional geological and geochemical conditions of the basin when the deep basin gas trap formed.

  6. Effects of dicarbonyl trapping agents, antioxidants, and reducing agents on the formation of furan and other volatile components in canned-coffee model systems.

    Science.gov (United States)

    Zheng, Li Wei; Chung, Hyun; Kim, Young-Suk

    2015-09-01

    The formation of furan and certain volatiles related to furan formation mechanisms was studied using gas chromatography-mass spectrometry combined with solid-phase micro extraction after adding dicarbonyl trapping agents [epicatechin (EC), epigallocatechin gallate (EGCG), and catechin], water-soluble antioxidants (Trolox, caffeic acid, ferulic acid, and chlorogenic acid), fat-soluble antioxidants (α-tocopherol, BHT, and β-carotene), and reducing agents (glutathione and sodium sulfite) to canned-coffee model systems (CMS). The level of furan formation decreased significantly following the addition of EC (by 65.3%), EGCG (by 60.0%), and catechin (by 44.7%). In addition, the formation of Maillard reaction products, including furan derivatives (furfural and 5-methylfurfural), Strecker aldehyde (2-methylbutanal), pyrazines (2,6-dimethylpyrazine), and lipid oxidation products (including hexanal and 2-pentylfuran) was suppressed when any of the dicarbonyl trapping agents was added. Among the water-soluble antioxidants studied, chlorogenic acid most significantly decreased the furan level, by 67.0%, followed by ferulic acid (57.6%), Trolox (50.1%), and caffeic acid (48.2%) in the CMS. Chlorogenic acid also reduced the formation of furfural and lipid oxidation products. However, the addition of caffeic acid, ferulic acid, and chlorogenic acid decreased the generation of key coffee aroma components, such as Strecker aldehydes (2-methylpropanal and 2-methylbutanal), 5-methylfurfural, and pyrazines (2,6-dimethylpyrazine and 2-ethyl-5-methylpyrazine). Among the fat-soluble antioxidants, BHT and α-tocopherol decreased the furan level by 49.3% and 39.3%, respectively, while β-carotene increased the furan level by 34.8%. The addition of sodium sulfite and glutathione to CMS also led to considerable reductions in furan, of 64.1% and 44.9%, respectively. Copyright © 2015 Elsevier Ltd. All rights reserved.

  7. Photon-HDF5: An Open File Format for Timestamp-Based Single-Molecule Fluorescence Experiments.

    Science.gov (United States)

    Ingargiola, Antonino; Laurence, Ted; Boutelle, Robert; Weiss, Shimon; Michalet, Xavier

    2016-01-01

    We introduce Photon-HDF5, an open and efficient file format to simplify exchange and long-term accessibility of data from single-molecule fluorescence experiments based on photon-counting detectors such as single-photon avalanche diode, photomultiplier tube, or arrays of such detectors. The format is based on HDF5, a widely used platform- and language-independent hierarchical file format for which user-friendly viewers are available. Photon-HDF5 can store raw photon data (timestamp, channel number, etc.) from any acquisition hardware, but also setup and sample description, information on provenance, authorship and other metadata, and is flexible enough to include any kind of custom data. The format specifications are hosted on a public website, which is open to contributions by the biophysics community. As an initial resource, the website provides code examples to read Photon-HDF5 files in several programming languages and a reference Python library (phconvert), to create new Photon-HDF5 files and convert several existing file formats into Photon-HDF5. To encourage adoption by the academic and commercial communities, all software is released under the MIT open source license.

  8. Identification of transmitter systems and learning tag molecules involved in behavioral tagging during memory formation

    OpenAIRE

    Moncada, Diego; Ballarini, Fabricio; Martinez, María Cecilia; Frey, Julietta U.; Viola, Haydee

    2011-01-01

    Long-term memory (LTM) consolidation requires the synthesis of plasticity-related proteins (PRPs). In addition, we have shown recently that LTM formation also requires the setting of a “learning tag” able to capture those PRPs. Weak training, which results only in short-term memory, can set a tag to use PRPs derived from a temporal-spatial closely related event to promote LTM formation. Here, we studied the involvement of glutamatergic, dopaminergic, and noradrenergic inputs on the setting of...

  9. Rate of three-body recombination of hydrogen molecules during primordial star formation

    CERN Document Server

    Forrey, Robert C

    2013-01-01

    Astrophysical models of primordial star formation require rate constants for three-body recombination as input. The current status of these rates for H2 due to collisions with H is far from satisfactory, with published rate constants showing orders of magnitude disagreement at the temperatures relevant for H2 formation in primordial gas. This letter presents an independent calculation of this recombination rate constant as a function of temperature. An analytic expression is provided for the rate constant which should be more reliable than ones currently being used in astrophysical models.

  10. Creating Feshbach resonances for ultracold molecule formation with radio-frequency fields

    Science.gov (United States)

    Owens, Daniel J.; Xie, Ting; Hutson, Jeremy M.

    2016-08-01

    We show that radio-frequency (rf) radiation may be used to create Feshbach resonances in ultracold gases of alkali-metal atoms at desired magnetic fields that are convenient for atomic cooling and degeneracy. For the case of 39K+133Cs , where there are no rf-free resonances in regions where Cs may be cooled to degeneracy, we show that a resonance may be created near 21 G with 69.2 MHz rf radiation. This resonance is almost lossless with circularly polarized rf, and the molecules created are long-lived even with plane-polarized rf.

  11. Recognition of Aspergillus fumigatus hyphae by human plasmacytoid dendritic cells is mediated by dectin-2 and results in formation of extracellular traps.

    Directory of Open Access Journals (Sweden)

    Flávio V Loures

    2015-02-01

    Full Text Available Plasmacytoid dendritic cells (pDCs were initially considered as critical for innate immunity to viruses. However, our group has shown that pDCs bind to and inhibit the growth of Aspergillus fumigatus hyphae and that depletion of pDCs renders mice hypersusceptible to experimental aspergillosis. In this study, we examined pDC receptors contributing to hyphal recognition and downstream events in pDCs stimulated by A. fumigatus hyphae. Our data show that Dectin-2, but not Dectin-1, participates in A. fumigatus hyphal recognition, TNF-α and IFN-α release, and antifungal activity. Moreover, Dectin-2 acts in cooperation with the FcRγ chain to trigger signaling responses. In addition, using confocal and electron microscopy we demonstrated that the interaction between pDCs and A. fumigatus induced the formation of pDC extracellular traps (pETs containing DNA and citrullinated histone H3. These structures closely resembled those of neutrophil extracellular traps (NETs. The microarray analysis of the pDC transcriptome upon A. fumigatus infection also demonstrated up-regulated expression of genes associated with apoptosis as well as type I interferon-induced genes. Thus, human pDCs directly recognize A. fumigatus hyphae via Dectin-2; this interaction results in cytokine release and antifungal activity. Moreover, hyphal stimulation of pDCs triggers a distinct pattern of pDC gene expression and leads to pET formation.

  12. T Cell-Independent Mechanisms Associated with Neutrophil Extracellular Trap Formation and Selective Autophagy in IL-17A-Mediated Epidermal Hyperplasia.

    Science.gov (United States)

    Suzuki, Erika; Maverakis, Emanual; Sarin, Ritu; Bouchareychas, Laura; Kuchroo, Vijay K; Nestle, Frank O; Adamopoulos, Iannis E

    2016-12-01

    IL-17A has been strongly associated with epidermal hyperplasia in many cutaneous disorders. However, because IL-17A is mainly produced by αβ and γδT cells in response to IL-23, the role of T cells and IL-23 has overshadowed any IL-17A-independent actions. In this article, we report that IL-17A gene transfer induces epidermal hyperplasia in Il23r(-/-)Rag1(-/-)- and Tcrδ-deficient mice, which can be prevented by neutrophil depletion. Moreover, adoptive transfer of CD11b(+)Gr-1(hi) cells, after IL-17A gene transfer, was sufficient to phenocopy the disease. We further show that the IL-17A-induced pathology was prevented in transgenic mice with impaired neutrophil extracellular trap formation and/or neutrophils with conditional deletion of the master regulator of selective autophagy, Wdfy3. Our data demonstrate a novel T cell-independent mechanism that is associated with neutrophil extracellular trap formation and selective autophagy in IL-17A-mediated epidermal hyperplasia. Copyright © 2016 by The American Association of Immunologists, Inc.

  13. Electronic properties of Francium diatomic compounds and prospects for cold molecule formation

    CERN Document Server

    Aymar, M; Spiegelman, F; Aymar, Mireille; Dulieu, Olivier; Spiegelman, Fernand

    2006-01-01

    In this work we investigate the possibility to create cold Fr$\\_2$, RbFr, and CsFr molecules through photoassociation of cold atoms. Potential curves, permanent and transition dipole moments for the Francium dimer and for the RbFr and RbCs molecules are determined for the first time. The Francium atom is modelled as a one valence electron moving in the field of the Fr$^+$ core, which is described by a new pseudopotential with averaged relativistic effects, and including effective core polarization potential. The molecular calculations are performed for both the ionic species Fr$\\_2^+$, RbFr$^+$, CsFr$^+$ and the corresponding neutral, through the CIPSI quantum chemistry package where we used new extended gaussian basis sets for Rb, Cs, and Fr atoms. As no experimental data is available, we discuss our results by comparison with the Rb$\\_2$, Cs$\\_2$, and RbCs systems. The dipole moment of CsFr reveals an electron transfer yielding a Cs$^+$Fr$^-$ arrangement, while in all other mixed alkali pairs the electron i...

  14. How, when, and where in pattern formation: Spying on embryonic development one molecule at a time

    Science.gov (United States)

    Garcia, Hernan

    An abiding mystery in the study of living matter is how a single cell develops into a multicellular organism. As this cell divides, its progeny read the program encoded on their DNA and adopt different fates becoming familiar cell types such as those found in muscle, liver and our brains. We now know that the decisions that cells make during development are not so much based on which genes to express, but rather on when, where and how to express them. Despite advances in determining the identities of the molecules that mediate these decisions we are still incapable of predicting how simple physical parameters such as the number, position and affinity of binding sites for these molecules on the DNA determine developmental fates. Using the fruit fly, one of the classic model systems for embryonic development, I will show how a combination of new technologies, quantitative experiments, and statistical mechanics is providing new insights about cellular decision making during development. In particular, I will describe how the specification of macroscopic body parts in an organism is linked to the non-equilibrium molecular-scale processes inside single cells. The goal of this interdisciplinary research is to produce a predictive understanding of developmental programs which will enable the rational control of biological size, shape and function.

  15. The Drosophila cell adhesion molecule klingon is required for long-term memory formation and is regulated by Notch.

    Science.gov (United States)

    Matsuno, Motomi; Horiuchi, Junjiro; Tully, Tim; Saitoe, Minoru

    2009-01-06

    The ruslan (rus) mutant was previously identified in a behavioral screen for mutants defective in long-lasting memory, which consists of two consolidated memory types, anesthesia-resistant memory, and protein synthesis-dependent long-term memory (LTM). We demonstrate here that rus is a new allele of klingon (klg), which encodes a homophilic cell adhesion molecule. Klg is acutely required for LTM but not anesthesia-resistant memory formation, and Klg expression increases upon LTM induction. LTM formation also requires activity of the Notch cell-surface receptor. Although defects in Notch have been implicated in memory loss because of Alzheimer's disease, downstream signaling linking Notch to memory have not been determined. Strikingly, we found that Notch activity increases upon LTM induction and regulates Klg expression. Furthermore, Notch-induced enhancement of LTM is disrupted by a klg mutation. We propose that Klg is a downstream effector of Notch signaling that links Notch activity to memory.

  16. Molecular understanding of atmospheric particle formation from sulfuric acid and large oxidized organic molecules

    CERN Document Server

    Schobesberger, Siegfried; Bianchi, Federico; Lönn, Gustaf; Ehn, Mikael; Lehtipalo, Katrianne; Dommen, Josef; Ehrhart, Sebastian; Ortega, Ismael K; Franchin, Alessandro; Nieminen, Tuomo; Riccobono, Francesco; Hutterli, Manuel; Duplissy, Jonathan; Almeida, João; Amorim, Antonio; Breitenlechner, Martin; Downard, Andrew J; Dunne, Eimear M; Flagan, Richard C; Kajos, Maija; Keskinen, Helmi; Kirkby, Jasper; Kupc, Agnieszka; Kürten, Andreas; Kurtén, Theo; Laaksonen, Ari; Mathot, Serge; Onnela, Antti; Praplan, Arnaud P; Rondo, Linda; Santos, Filipe D; Schallhart, Simon; Schnitzhofer, Ralf; Sipilä, Mikko; Tomé, António; Tsagkogeorgas, Georgios; Vehkamäki, Hanna; Wimmer, Daniela; Baltensperger, Urs; Carslaw, Kenneth S; Curtius, Joachim; Hansel, Armin; Petäjä, Tuukka; Kulmala, Markku; Donahue, Neil M; Worsnop, Douglas R

    2013-01-01

    Atmospheric aerosols formed by nucleation of vapors affect radiative forcing and therefore climate. However, the underlying mechanisms of nucleation remain unclear, particularly the involvement of organic compounds. Here, we present high-resolution mass spectra of ion clusters observed during new particle formation experiments performed at the Cosmics Leaving Outdoor Droplets chamber at the European Organization for Nuclear Research. The experiments involved sulfuric acid vapor and different stabilizing species, including ammonia and dimethylamine, as well as oxidation products of pinanediol, a surrogate for organic vapors formed from monoterpenes. A striking resemblance is revealed between the mass spectra from the chamber experiments with oxidized organics and ambient data obtained during new particle formation events at the Hyytiälä boreal forest research station. We observe that large oxidized organic compounds, arising from the oxidation of monoterpenes, cluster directly with single sulfuric acid molec...

  17. Elastic collision and molecule formation of spatiotemporal light bullets in a cubic-quintic nonlinear medium

    Science.gov (United States)

    Adhikari, S. K.

    2016-09-01

    We consider the statics and dynamics of a stable, mobile three-dimensional (3D) spatiotemporal light bullet in a cubic-quintic nonlinear medium with a focusing cubic nonlinearity above a critical value and any defocusing quintic nonlinearity. The 3D light bullet can propagate with a constant velocity in any direction. Stability of the light bullet under a small perturbation is established numerically. We consider frontal collision between two light bullets with different relative velocities. At large velocities the collision is elastic with the bullets emerge after collision with practically no distortion. At small velocities two bullets coalesce to form a bullet molecule. At a small range of intermediate velocities the localized bullets could form a single entity which expands indefinitely, leading to a destruction of the bullets after collision. The present study is based on an analytic Lagrange variational approximation and a full numerical solution of the 3D nonlinear Schrödinger equation.

  18. Inhibition of Salmonella enterica biofilm formation using small-molecule adenosine mimetics.

    Science.gov (United States)

    Koopman, Jacob A; Marshall, Joanna M; Bhatiya, Aditi; Eguale, Tadesse; Kwiek, Jesse J; Gunn, John S

    2015-01-01

    Biofilms have been widely implicated in chronic infections and environmental persistence of Salmonella enterica, facilitating enhanced colonization of surfaces and increasing the ability of the bacteria to be transmitted to new hosts. Salmonella enterica serovar Typhi biofilm formation on gallstones from humans and mice enhances gallbladder colonization and bacterial shedding, while Salmonella enterica serovar Typhimurium biofilms facilitate long-term persistence in a number of environments important to food, medical, and farming industries. Salmonella regulates expression of many virulence- and biofilm-related processes using kinase-driven pathways. Kinases play pivotal roles in phosphorylation and energy transfer in cellular processes and possess an ATP-binding pocket required for their functions. Many other cellular proteins also require ATP for their activity. Here we test the hypothesis that pharmacological interference with ATP-requiring enzymes utilizing adenosine mimetic compounds would decrease or inhibit bacterial biofilm formation. Through the screening of a 3,000-member ATP mimetic library, we identified a single compound (compound 7955004) capable of significantly reducing biofilm formation by S. Typhimurium and S. Typhi. The compound was not bactericidal or bacteriostatic toward S. Typhimurium or cytotoxic to mammalian cells. An ATP-Sepharose affinity matrix technique was used to discover potential protein-binding targets of the compound and identified GroEL and DeoD. Compound 7955004 was screened against other known biofilm-forming bacterial species and was found to potently inhibit biofilms of Acinetobacter baumannii as well. The identification of a lead compound with biofilm-inhibiting capabilities toward Salmonella provides a potential new avenue of therapeutic intervention against Salmonella biofilm formation, with applicability to biofilms of other bacterial pathogens.

  19. Identification of transmitter systems and learning tag molecules involved in behavioral tagging during memory formation.

    Science.gov (United States)

    Moncada, Diego; Ballarini, Fabricio; Martinez, María Cecilia; Frey, Julietta U; Viola, Haydee

    2011-08-02

    Long-term memory (LTM) consolidation requires the synthesis of plasticity-related proteins (PRPs). In addition, we have shown recently that LTM formation also requires the setting of a "learning tag" able to capture those PRPs. Weak training, which results only in short-term memory, can set a tag to use PRPs derived from a temporal-spatial closely related event to promote LTM formation. Here, we studied the involvement of glutamatergic, dopaminergic, and noradrenergic inputs on the setting of an inhibitory avoidance (IA) learning tag and the synthesis of PRPs. Rats explored an open field (PRP donor) followed by weak (tag inducer) or strong (tag inducer plus PRP donor) IA training. Throughout pharmacological interventions around open-field and/or IA sessions, we found that hippocampal dopamine D1/D5- and β-adrenergic receptors are specifically required to induce PRP synthesis. Moreover, activation of the glutamatergic NMDA receptors is required for setting the learning tags, and this machinery further required α-Ca(2+)/calmodulin-dependent protein kinase II and PKA but not ERK1/2 activity. Together, the present findings emphasize an essential role of the induction of PRPs and learning tags for LTM formation. The existence of only the PRP or the tag was insufficient for stabilization of the mnemonic trace.

  20. Identification of transmitter systems and learning tag molecules involved in behavioral tagging during memory formation

    Science.gov (United States)

    Moncada, Diego; Ballarini, Fabricio; Martinez, María Cecilia; Frey, Julietta U.; Viola, Haydee

    2011-01-01

    Long-term memory (LTM) consolidation requires the synthesis of plasticity-related proteins (PRPs). In addition, we have shown recently that LTM formation also requires the setting of a “learning tag” able to capture those PRPs. Weak training, which results only in short-term memory, can set a tag to use PRPs derived from a temporal-spatial closely related event to promote LTM formation. Here, we studied the involvement of glutamatergic, dopaminergic, and noradrenergic inputs on the setting of an inhibitory avoidance (IA) learning tag and the synthesis of PRPs. Rats explored an open field (PRP donor) followed by weak (tag inducer) or strong (tag inducer plus PRP donor) IA training. Throughout pharmacological interventions around open-field and/or IA sessions, we found that hippocampal dopamine D1/D5- and β-adrenergic receptors are specifically required to induce PRP synthesis. Moreover, activation of the glutamatergic NMDA receptors is required for setting the learning tags, and this machinery further required α-Ca2+/calmodulin-dependent protein kinase II and PKA but not ERK1/2 activity. Together, the present findings emphasize an essential role of the induction of PRPs and learning tags for LTM formation. The existence of only the PRP or the tag was insufficient for stabilization of the mnemonic trace. PMID:21768371

  1. The invariant chain p35 isoform promotes formation of nonameric complexes with MHC II molecules.

    Science.gov (United States)

    Cloutier, Maryse; Gauthier, Catherine; Fortin, Jean-Simon; Thibodeau, Jacques

    2014-07-01

    Four different isoforms of the human invariant chain (Ii) have been described (p33, p35, p41 and p43). These heterotrimerize in the endoplasmic reticulum (ER) before associating with MHC class II molecules (MHCIIs). However, the final stoichiometry of the Ii/MHCII complex remains debated. This is particularly interesting as both p35 and p43 include a di-arginine motif that requires masking by MHCII to allow ER egress. Here, to functionally address the requirement for stoichiometric interactions, we used a recombinant DR heterodimer bearing its own cytoplasmic di-lysine ER-retention motif (DRKKAA). When coexpressed with p33 and a control myc-tagged DR (DRmyc), DRKKAA was retained in the ER but had little impact on surface expression of DRmyc. However, when coexpressed with p35, DRKKAA restricted the surface expression of DRmyc, indicating that Ii trimers can be loaded with more than one MHCII. Similar results were obtained using HLA-DQ instead of DRmyc, showing that a single trimeric Ii scaffold can include distinct MHCII isotypes. Altogether, these results demonstrate that the subunit stoichiometry of oligomeric Ii/MHCII complexes is influenced by p35.

  2. Photoassociative production of ultracold heteronuclear YbLi* molecules

    Science.gov (United States)

    Roy, Richard; Shrestha, Rajendra; Green, Alaina; Gupta, Subhadeep; Li, Ming; Kotochigova, Svetlana; Petrov, Alexander; Yuen, Chi Hong

    2016-09-01

    We report on the production of ultracold heteronuclear YbLi* molecules in a dual-species magneto-optical trap by photoassociation (PA). The formation of the electronically excited molecules close to dissociation was observed by trap loss spectroscopy. We find 4 rovibrational states within a range of 250 GHz below the Yb (S10) +Li (1/2 2P) asymptote and observe isotopic PA line shifts in mixtures of 6Li with 174Yb, 172Yb, and 176Yb. We also describe our theoretical ab initio calculation for the relevant electronic potentials and utilize it to analyze and identify the lines in the experimentally observed spectrum.

  3. Photoassociative production of ultracold heteronuclear YbLi* molecules

    CERN Document Server

    Roy, Richard; Green, Alaina; Gupta, Subhadeep; Li, Ming; Kotochigova, Svetlana; Petrov, Alexander; Yuen, Chi Hong

    2016-01-01

    We report on the production of ultracold heteronuclear YbLi* molecules in a dual-species magneto-optical trap by photoassociation (PA). The formation of the electronically excited molecules close to dissociation was observed by trap loss spectroscopy. We find 4 rovibrational states within a range of $250\\,$GHz below the Yb($^1S_0$) + Li($^2P_{1/2}$) asymptote and observe isotopic PA line shifts in mixtures of $^6$Li with $^{174}$Yb, $^{172}$Yb, and $^{176}$Yb. We also describe our theoretical ab-initio calculation for the relevant electronic potentials and utilize it to analyze and identify the lines in the experimentally observed spectrum.

  4. Formation of chiral nanotubes by the novel anthraquinone containing-achiral molecule.

    Science.gov (United States)

    Unsal, Hande; Aydogan, Nihal

    2013-03-15

    Self-assembled lipid nanotubes arouse lots of interest due to their exceptional properties such as very simple production procedures, large variety of applications and high biocompatibility. In this study, the new eccentric but simple molecule, AQua (AQ-NH-(CH(2))(10)COOH; where AQ is anthraquinone), which integrates redox-active and pH sensitive character with nanotube forming capability has been designed. AQua forms self-assembled nanotubes by the chiral symmetry-breaking mechanism, in a high yield in the presence of ethanolamine. The nanotubes obtained in AQua-ethanolamine mixture are stable with time and resistant against drying and dilution at constant pH. However, pH change with dilution (without pH control) causes the unfolding of the nanotubes indicating the pH sensitive character. Existence of redox active anthraquinone group along with the carboxylic acid moiety gives the probability of reversibly controllable character to our nanotubes. The effect of the base type which is used to adjust the pH of the dispersion has also been investigated, and helix-tube-ribbon mixture is obtained when NaOH is used instead of ethanolamine. Although there are limited number of studies particularly in the field of reversibly controllable and/or redox active lipid nanotubes, controlled self-assembly and disassembly of these appreciable aggregates are very important for their usage in special applications. Thus, this study is hoped to be one of the remarkable studies for the development of reversibly controllable, redox active self assembled nanotubes.

  5. Targeted Gene Deletion Demonstrates that Cell Adhesion MoleculeICAM-4 is Critical for Erythroblastic Island Formation

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Gloria; Lo, Annie; Short, Sarah A.; Mankelow, Tosti J.; Spring, Frances; Parsons, Stephen F.; Mohandas, Narla; Anstee, David J.; Chasis, Joel Anne

    2006-02-15

    Erythroid progenitors differentiate in erythroblastic islands, bone marrow niches composed of erythroblasts surrounding a central macrophage. Evidence suggests that within islands adhesive interactions regulate erythropoiesis and apoptosis. We are exploring whether erythroid intercellular adhesion molecule-4 (ICAM-4), animmunoglobulin superfamily member, participates in island formation. Earlier, we identified alpha V integrins as ICAM-4 counter receptors. Since macrophages express alpha V, ICAM-4 potentially mediates island attachments. To test this, we generated ICAM-4 knockout mice and developed quantitative, live cell techniques for harvesting intact islands and for reforming islands in vitro. We observed a 47 percent decrease in islands reconstituted from ICAM-4 null marrow compared to wild type. We also found a striking decrease in islands formed in vivo in knockout mice. Further, peptides that block ICAM-4 alpha V adhesion produced a 53-57 percent decrease in reconstituted islands, strongly suggesting that ICAM-4 binding to macrophage alpha V functions in island integrity. Importantly, we documented that alpha V integrin is expressed in macrophages isolated from erythro blastic islands. Collectively, these data provide convincing evidence that ICAM-4 is critical in erythroblastic island formation via ICAM-4/alpha V adhesion and also demonstrate that the novel experimental strategies we developed will be valuable in exploring molecular mechanisms of erythroblastic island formation and their functional role in regulating erythropoiesis.

  6. Molecular physics: Complexity trapped by simplicity

    Science.gov (United States)

    Ferlaino, Francesca

    2014-08-01

    Devices known as magneto-optical traps have long been used to cool and confine atoms, but not molecules -- until now. This new ability should enable many studies and applications of the physics of ultracold molecules. See Letter p.286

  7. Rab27a is essential for the formation of neutrophil extracellular traps (NETs in neutrophil-like differentiated HL60 cells.

    Directory of Open Access Journals (Sweden)

    Tatsumi Kawakami

    Full Text Available Neutrophils play a crucial role in host defence. In response to a variety of inflammatory stimulation, they form neutrophil extracellular traps (NETs. NETs are extracellular structures composed of chromatin fibers decorated with antimicrobial proteins and developing studies indicate that NETs contribute to extracellular microbial killing. While the intracellular signaling pathways that regulate NET formation remain largely unknown, there is growing evidence that generation of reactive oxygen species (ROS is a key event for NET formation. The Rab family small GTPase Rab27a is an important component of the secretory machinery of azurophilic granules in neutrophils. However, the precise mechanism of NET formation and whether or not Rab27a contributes to this process are unknown. Using neutrophil-like differentiated HL60 cells, we show here that Rab27a plays an essential role in both phorbol myristate acetate (PMA- and Candida albicans-induced NET formation by regulating ROS production. Rab27a-knockdown inhibited ROS-positive phagosome formation during complement-mediated phagocytosis. To investigate the role of Rab27a in neutrophil function in detail, both primary human neutrophils and neutrophil-like differentiated HL60 cells were treated with PMA, and NET formation process was assessed by measurement of release of histone H3 into the medium, citrullination of the arginine in position 3 of histone H4 and chase of the nuclear change of the living cells in the co-existence of both cell-permeable and -impermeable nuclear indicators. PMA-induced NET formation occured sequentially in both neutrophil-like differentiated HL60 cells and primary neutrophils, and Rab27a-knockdown clearly inhibited NET formation in association with reduced ROS production. We also found that serum-treated Candida albicans triggers NET formation in a ROS-dependent manner, and that Rab27a-knockdown inhibits this process as well. Our findings demonstrate that Rab27a plays an

  8. The key role of meteorites in the formation of relevant prebiotic molecules in a formamide/water environment

    Science.gov (United States)

    Rotelli, Luca; Trigo-Rodríguez, Josep M.; Moyano-Cambero, Carles E.; Carota, Eleonora; Botta, Lorenzo; di Mauro, Ernesto; Saladino, Raffaele

    2016-12-01

    We show that carbonaceous chondrite meteorites actively and selectively catalyze the formation of relevant prebiotic molecules from formamide in aqueous media. Specific catalytic behaviours are observed, depending on the origin and composition of the chondrites and on the type of water present in the system (activity: thermal > seawater > pure). We report the one-pot synthesis of all the natural nucleobases, of aminoacids and of eight carboxylic acids (forming, from pyruvic acid to citric acid, a continuous series encompassing a large part of the extant Krebs cycle). These data shape a general prebiotic scenario consisting of carbonaceous meteorites acting as catalysts and of a volcanic-like environment providing heat, thermal waters and formamide. This scenario also applies to the other solar system locations that experienced rich delivery of carbonaceous materials, and whose physical-chemical conditions could have allowed chemical evolution.

  9. The key role of meteorites in the formation of relevant prebiotic molecules in a formamide/water environment.

    Science.gov (United States)

    Rotelli, Luca; Trigo-Rodríguez, Josep M; Moyano-Cambero, Carles E; Carota, Eleonora; Botta, Lorenzo; Di Mauro, Ernesto; Saladino, Raffaele

    2016-12-13

    We show that carbonaceous chondrite meteorites actively and selectively catalyze the formation of relevant prebiotic molecules from formamide in aqueous media. Specific catalytic behaviours are observed, depending on the origin and composition of the chondrites and on the type of water present in the system (activity: thermal > seawater > pure). We report the one-pot synthesis of all the natural nucleobases, of aminoacids and of eight carboxylic acids (forming, from pyruvic acid to citric acid, a continuous series encompassing a large part of the extant Krebs cycle). These data shape a general prebiotic scenario consisting of carbonaceous meteorites acting as catalysts and of a volcanic-like environment providing heat, thermal waters and formamide. This scenario also applies to the other solar system locations that experienced rich delivery of carbonaceous materials, and whose physical-chemical conditions could have allowed chemical evolution.

  10. Phenol-Soluble Modulin α Peptide Toxins from Aggressive Staphylococcus aureus Induce Rapid Formation of Neutrophil Extracellular Traps through a Reactive Oxygen Species-Independent Pathway

    Science.gov (United States)

    Björnsdottir, Halla; Dahlstrand Rudin, Agnes; Klose, Felix P.; Elmwall, Jonas; Welin, Amanda; Stylianou, Marios; Christenson, Karin; Urban, Constantin F.; Forsman, Huamei; Dahlgren, Claes; Karlsson, Anna; Bylund, Johan

    2017-01-01

    Neutrophils have the ability to capture and kill microbes extracellularly through the formation of neutrophil extracellular traps (NETs). These are DNA and protein structures that neutrophils release extracellularly and are believed to function as a defense mechanism against microbes. The classic NET formation process, triggered by, e.g., bacteria, fungi, or by direct stimulation of protein kinase C through phorbol myristate acetate, is an active process that takes several hours and relies on the production of reactive oxygen species (ROS) that are further modified by myeloperoxidase (MPO). We show here that NET-like structures can also be formed by neutrophils after interaction with phenol-soluble modulin α (PSMα) that are cytotoxic membrane-disturbing peptides, secreted from community-acquired methicillin-resistant Staphylococcus aureus (CA-MRSA). The PSMα-induced NETs contained the typical protein markers and were able to capture microbes. The PSMα-induced NET structures were disintegrated upon prolonged exposure to DNase-positive S. aureus but not on exposure to DNase-negative Candida albicans. Opposed to classic NETosis, PSMα-triggered NET formation occurred very rapidly, independently of ROS or MPO, and was also manifest at 4°C. These data indicate that rapid NETs release may result from cytotoxic membrane disturbance by PSMα peptides, a process that may be of importance for CA-MRSA virulence. PMID:28337204

  11. Smc5/6 coordinates formation and resolution of joint molecules with chromosome morphology to ensure meiotic divisions.

    Directory of Open Access Journals (Sweden)

    Alice Copsey

    Full Text Available During meiosis, Structural Maintenance of Chromosome (SMC complexes underpin two fundamental features of meiosis: homologous recombination and chromosome segregation. While meiotic functions of the cohesin and condensin complexes have been delineated, the role of the third SMC complex, Smc5/6, remains enigmatic. Here we identify specific, essential meiotic functions for the Smc5/6 complex in homologous recombination and the regulation of cohesin. We show that Smc5/6 is enriched at centromeres and cohesin-association sites where it regulates sister-chromatid cohesion and the timely removal of cohesin from chromosomal arms, respectively. Smc5/6 also localizes to recombination hotspots, where it promotes normal formation and resolution of a subset of joint-molecule intermediates. In this regard, Smc5/6 functions independently of the major crossover pathway defined by the MutLγ complex. Furthermore, we show that Smc5/6 is required for stable chromosomal localization of the XPF-family endonuclease, Mus81-Mms4(Eme1. Our data suggest that the Smc5/6 complex is required for specific recombination and chromosomal processes throughout meiosis and that in its absence, attempts at cell division with unresolved joint molecules and residual cohesin lead to severe recombination-induced meiotic catastrophe.

  12. P2Y6 Receptor Antagonist MRS2578 Inhibits Neutrophil Activation and Aggregated Neutrophil Extracellular Trap Formation Induced by Gout-Associated Monosodium Urate Crystals.

    Science.gov (United States)

    Sil, Payel; Hayes, Craig P; Reaves, Barbara J; Breen, Patrick; Quinn, Shannon; Sokolove, Jeremy; Rada, Balázs

    2017-01-01

    Human neutrophils (polymorphonuclear leukocytes [PMNs]) generate inflammatory responses within the joints of gout patients upon encountering monosodium urate (MSU) crystals. Neutrophil extracellular traps (NETs) are found abundantly in the synovial fluid of gout patients. The detailed mechanism of MSU crystal-induced NET formation remains unknown. Our goal was to shed light on possible roles of purinergic signaling and neutrophil migration in mediating NET formation induced by MSU crystals. Interaction of human neutrophils with MSU crystals was evaluated by high-throughput live imaging using confocal microscopy. We quantitated NET levels in gout synovial fluid supernatants and detected enzymatically active neutrophil primary granule enzymes, myeloperoxidase, and human neutrophil elastase. Suramin and PPADS, general P2Y receptor blockers, and MRS2578, an inhibitor of the purinergic P2Y6 receptor, blocked NET formation triggered by MSU crystals. AR-C25118925XX (P2Y2 antagonist) did not inhibit MSU crystal-stimulated NET release. Live imaging of PMNs showed that MRS2578 represses neutrophil migration and blocked characteristic formation of MSU crystal-NET aggregates called aggregated NETs. Interestingly, the store-operated calcium entry channel inhibitor (SK&F96365) also reduced MSU crystal-induced NET release. Our results indicate that the P2Y6/store-operated calcium entry/IL-8 axis is involved in MSU crystal-induced aggregated NET formation, but MRS2578 could have additional effects affecting PMN migration. The work presented in the present study could lead to a better understanding of gouty joint inflammation and help improve the treatment and care of gout patients.

  13. A theoretical model investigation of peptide bond formation involving two water molecules in ribosome supports the two-step and eight membered ring mechanism

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Qiang [School of Chemistry & Chemical Engineering, Shandong University, Jinan 250100 (China); Gao, Jun, E-mail: gaojun@sdu.edu.cn [Agricultural Bioinformatics Key Laboratory of Hubei Province, College of Informatics, Huazhong Agricultural University, Wuhan 430070 (China); School of Chemistry & Chemical Engineering, Shandong University, Jinan 250100 (China); Zhang, Dongju; Liu, Chengbu [School of Chemistry & Chemical Engineering, Shandong University, Jinan 250100 (China)

    2015-04-01

    Highlights: • We theoretical studied peptide bond formation reaction mechanism with two water molecules. • The first water molecule can decrease the reaction barriers by forming hydrogen bonds. • The water molecule mediated three-proton transfer mechanism is the favorable mechanism. • Our calculation supports the two-step and eight membered ring mechanism. - Abstract: The ribosome is the macromolecular machine that catalyzes protein synthesis. The kinetic isotope effect analysis reported by Strobel group supports the two-step mechanism. However, the destination of the proton originating from the nucleophilic amine is uncertain. A computational simulation of different mechanisms including water molecules is carried out using the same reaction model and theoretical level. Formation the tetrahedral intermediate with proton transfer from nucleophilic nitrogen, is the rate-limiting step when two water molecules participate in peptide bond formation. The first water molecule forming hydrogen bonds with O9′ and H15′ in the A site can decrease the reaction barriers. Combined with results of the solvent isotope effects analysis, we conclude that the three-proton transfer mechanism in which water molecule mediate the proton shuttle between amino and carbon oxygen in rate-limiting step is the favorable mechanism. Our results will shield light on a better understand the reaction mechanism of ribosome.

  14. Photo fragmentation dynamics of small argon clusters and biological molecular: new tools by trapping and vectorial correlation; Dynamique de photofragmentation de petits agregats d'argon et de molecules biologiques: nouvel outil par piegeage et correlation vectorielle

    Energy Technology Data Exchange (ETDEWEB)

    Lepere, V

    2006-09-15

    The present work concerns the building up of a complex set-up whose aim being the investigation of the photo fragmentation of ionised clusters and biological molecules. This new tool is based on the association of several techniques. Two ion sources are available: clusters produced in a supersonic beam are ionised by 70 eV electrons while ions of biological interest are produced in an 'electro-spray'. Ro-vibrational cooling is achieved in a 'Zajfman' electrostatic ion trap. The lifetime of ions can also be measured using the trap. Two types of lasers are used to excite the ionised species: the femtosecond laser available at the ELYSE facilities and a nanosecond laser. Both lasers have a repetition rate of 1 kHz. The neutral and ionised fragments are detected in coincidence using a sophisticated detection system allowing time and localisation of the various fragments to be determined. With such a tool, I was able to investigate in details the fragmentation dynamics of ionised clusters and bio-molecules. The first experiments deal with the measurement of the lifetime of the Ar{sup 2+} dimer II(1/2)u metastable state. The relative population of this state was also determined. The Ar{sup 2+} and Ar{sup 3+} photo-fragmentation was then studied and electronic transitions responsible for their dissociation identified. The detailed analysis of our data allowed to distinguish the various fragmentation mechanisms. Finally, a preliminary investigation of the protonated tryptamine fragmentation is presented. (author)

  15. Formation of nickel-doped magnetite hollow nanospheres with high specific surface area and superior removal capability for organic molecules

    Science.gov (United States)

    Li, Zhenhu; Ma, Yurong; Qi, Limin

    2016-12-01

    A strategy for the formation of magnetic Ni x Fe3-x O4 hollow nanospheres with very high specific surface areas was designed through a facile solvothermal method in mixed solvents of ethylene glycol and water in this work. The Ni/Fe ratios and the crystal phases of the Ni x Fe3-x O4 hollow nanocrystals can be readily tuned by changing the molar ratios of Ni to Fe in the precursors. An inside-out Ostwald ripening mechanism was proposed for the formation of uniform Ni x Fe3-x O4 hollow nanospheres. Moreover, the obtained Ni x Fe3-x O4 hollow nanospheres exhibited excellent adsorption capacity towards organic molecules such as Congo red in water. The maximum adsorption capacities of Ni x Fe3-x O4 hollow nanospheres for Congo red increase dramatically from 263 to 500 mg g-1 with the increase of the Ni contents (x) in Ni x Fe3-x O4 hollow nanospheres from 0.2 to 0.85. The synthesized Ni x Fe3-x O4 nanoparticles can be potentially applied for waste water treatment.

  16. 40Ar-39Ar age of a lava flow from the Bhimashankar Formation, Giravali Ghat, Deccan Traps

    Indian Academy of Sciences (India)

    Kanchan Pande; S K Pattanayak; K V Subbarao; P Navaneethakrishnan; T R Venkatesan

    2004-12-01

    We report here a 40Ar-39Ar age of 66.0 ± 0.9Ma (2 ) for a reversely magnetised tholeiitic lava flow from the Bhimashankar Formation (Fm.), Giravali Ghat, western Deccan province, India. This age is consistent with the view that the 1.8–2km thick bottom part of the exposed basalt flow sequence in the Western Ghats was extruded very close to 67.4 Ma.

  17. Collisional properties of cold spin-polarized nitrogen gas: theory, experiment, and prospects as a sympathetic coolant for trapped atoms and molecules

    CERN Document Server

    Tscherbul, T V; Dalgarno, A; Zygelman, B; Pavlovic, Z; Hummon, M T; Lu, H-I; Tsikata, E; Doyle, J M

    2010-01-01

    We report a combined experimental and theoretical study of collision-induced dipolar relaxation in a cold spin-polarized gas of atomic nitrogen (N). We use buffer gas cooling to create trapped samples of 14N and 15N atoms with densities 5+/-2 x 10^{12} cm-3 and measure their magnetic relaxation rates at milli-Kelvin temperatures. Rigorous quantum scattering calculations based on accurate ab initio interaction potentials for the 7Sigma_u electronic state of N2 demonstrate that dipolar relaxation in N + N collisions occurs at a slow rate of ~10^{-13} cm3/s over a wide range of temperatures (1 mK to 1 K) and magnetic fields (10 mT to 2 T). The calculated dipolar relaxation rates are insensitive to small variations of the interaction potential and to the magnitude of the spin-exchange interaction, enabling the accurate calibration of the measured N atom density. We find consistency between the calculated and experimentally determined rates. Our results suggest that N atoms are promising candidates for future expe...

  18. Trapping of Vibrio cholerae cytolysin in the membrane-bound monomeric state blocks membrane insertion and functional pore formation by the toxin.

    Science.gov (United States)

    Rai, Anand Kumar; Chattopadhyay, Kausik

    2014-06-13

    Vibrio cholerae cytolysin (VCC) is a potent membrane-damaging cytolytic toxin that belongs to the family of β barrel pore-forming protein toxins. VCC induces lysis of its target eukaryotic cells by forming transmembrane oligomeric β barrel pores. The mechanism of membrane pore formation by VCC follows the overall scheme of the archetypical β barrel pore-forming protein toxin mode of action, in which the water-soluble monomeric form of the toxin first binds to the target cell membrane, then assembles into a prepore oligomeric intermediate, and finally converts into the functional transmembrane oligomeric β barrel pore. However, there exists a vast knowledge gap in our understanding regarding the intricate details of the membrane pore formation process employed by VCC. In particular, the membrane oligomerization and membrane insertion steps of the process have only been described to a limited extent. In this study, we determined the key residues in VCC that are critical to trigger membrane oligomerization of the toxin. Alteration of such key residues traps the toxin in its membrane-bound monomeric state and abrogates subsequent oligomerization, membrane insertion, and functional transmembrane pore-formation events. The results obtained from our study also suggest that the membrane insertion of VCC depends critically on the oligomerization process and that it cannot be initiated in the membrane-bound monomeric form of the toxin. In sum, our study, for the first time, dissects membrane binding from the subsequent oligomerization and membrane insertion steps and, thus, defines the exact sequence of events in the membrane pore formation process by VCC.

  19. Csub>60sub> as an Atom Trap to Capture Co Adatoms

    DEFF Research Database (Denmark)

    Yang, Peng; Li, Dongzhe; Repain, Vincent

    2015-01-01

    C60 molecules were used to trap Co adatoms and clusters on a Au(111) surface using atomic/molecular manipulation with a scanning tunneling microscope. Two manipulation pathways (successive integration of single Co atoms in one molecule or direct integration of a Co cluster) were found...... to efficiently allow the formation of complexes mixing a C60 molecule with Co atoms. Scanning tunneling spectroscopy reveals the robustness of the pi states of C60 that are preserved after Co trapping. Scanning tunneling microscopy images and density functional theory calculations reveal that dissociated Co...... clusters of up to nine atoms can be formed at the molecule-substrate interface. These results open new perspectives in the interactions between metal adatoms and molecules, for applications in metal-organic devices...

  20. Numerical modeling of injection and mineral trapping of CO2 withH2S and SO2 in a Sandstone Formation

    Energy Technology Data Exchange (ETDEWEB)

    Xu, Tianfu; Apps, John A.; Pruess, Karsten; Yamamoto, Hajime

    2004-09-07

    Carbon dioxide (CO{sub 2}) injection into deep geologic formations could decrease the atmospheric accumulation of this gas from anthropogenic sources. Furthermore, by co-injecting H{sub 2}S or SO{sub 2}, the products respectively of coal gasification or combustion, with captured CO{sub 2}, problems associated with surface disposal would be mitigated. We developed models that simulate the co-injection of H{sub 2}S or SO{sub 2} with CO{sub 2} into an arkose formation at a depth of about 2 km and 75 C. The hydrogeology and mineralogy of the injected formation are typical of those encountered in Gulf Coast aquifers of the United States. Six numerical simulations of a simplified 1-D radial region surrounding the injection well were performed. The injection of CO{sub 2} alone or co-injection with SO{sub 2} or H{sub 2}S results in a concentrically zoned distribution of secondary minerals surrounding a leached and acidified region adjacent to the injection well. Co-injection of SO{sub 2} with CO{sub 2} results in a larger and more strongly acidified zone, and alteration differs substantially from that caused by the co-injection of H{sub 2}S or injection of CO{sub 2} alone. Precipitation of carbonates occurs within a higher pH (pH > 5) peripheral zone. Significant quantities of CO{sub 2} are sequestered by ankerite, dawsonite, and lesser siderite. The CO{sub 2} mineral-trapping capacity of the formation can attain 40-50 kg/m{sup 3} medium for the selected arkose. In contrast, secondary sulfates precipitate at lower pH (pH < 5) within the acidified zone. Most of the injected SO{sub 2} is transformed and immobilized through alunite precipitation with lesser amounts of anhydrite and minor quantities of pyrite. The dissolved CO{sub 2} increases with time (enhanced solubility trapping). The mineral alteration induced by injection of CO{sub 2} with either SO{sub 2} or H{sub 2}S leads to corresponding changes in porosity. Significant increases in porosity occur in the acidified

  1. Structure of the HIV-1 Full-Length Capsid Protein in a Conformationally Trapped Unassembled State Induced by Small-Molecule Binding

    Energy Technology Data Exchange (ETDEWEB)

    Du, Shoucheng; Betts, Laurie; Yang, Ruifeng; Shi, Haibin; Concel, Jason; Ahn, Jinwoo; Aiken, Christopher; Zhang, Peijun; Yeh, Joanne I. (Pitt); (Vanderbilt); (UNC)

    2012-11-26

    The capsid (CA) protein plays crucial roles in HIV infection and replication, essential to viral maturation. The absence of high-resolution structural data on unassembled CA hinders the development of antivirals effective in inhibiting assembly. Unlike enzymes that have targetable, functional substrate-binding sites, the CA does not have a known site that affects catalytic or other innate activity, which can be more readily targeted in drug development efforts. We report the crystal structure of the HIV-1 CA, revealing the domain organization in the context of the wild-type full-length (FL) unassembled CA. The FL CA adopts an antiparallel dimer configuration, exhibiting a domain organization sterically incompatible with capsid assembly. A small compound, generated in situ during crystallization, is bound tightly at a hinge site ('H site'), indicating that binding at this interdomain region stabilizes the ADP conformation. Electron microscopy studies on nascent crystals reveal both dimeric and hexameric lattices coexisting within a single condition, in agreement with the interconvertibility of oligomeric forms and supporting the feasibility of promoting assembly-incompetent dimeric states. Solution characterization in the presence of the H-site ligand shows predominantly unassembled dimeric CA, even under conditions that promote assembly. Our structure elucidation of the HIV-1 FL CA and characterization of a potential allosteric binding site provides three-dimensional views of an assembly-defective conformation, a state targeted in, and thus directly relevant to, inhibitor development. Based on our findings, we propose an unprecedented means of preventing CA assembly, by 'conformationally trapping' CA in assembly-incompetent conformational states induced by H-site binding.

  2. Redesigning octopus traps

    Directory of Open Access Journals (Sweden)

    Eduarda Gomes

    2014-06-01

    In order to minimise the identified problems in the actual traps, the present work proposes a new design with the aim of reducing the volume and weight during transport, and also during onshore storage. Alternative materials to avoid corrosion and formation of encrustations were also proposed.

  3. A small-molecule norspermidine and norspermidine-hosting polyelectrolyte coatings inhibit biofilm formation by multi-species wastewater culture.

    Science.gov (United States)

    Si, Xiurong; Quan, Xiangchun; Wu, Yachuan

    2015-12-01

    Norspermidine is a potent and non-bactericidal small-molecule inhibitor of biofilm growth. In this study, impacts of norspermidine on biofilm control and existing biofilm dispersal by a mixed culture from wastewater treatment systems were investigated. A surface-mediated releasing approach for prevention of bacterial biofilm formation was established via encapsulating norspermidine into polyelectrolyte multilayer coatings. Results showed that the presence of norspermidine (500-1000 μM) in medium remarkably prevented biofilm formation. Norspermidine was also effective in disassembling pre-formed biofilms. Norspermidine-containing multilayer coatings were successfully fabricated on glass slides via layer-by-layer deposition in polyethylenimine (PEI) and poly(acrylic acid) (PAA) solution. This coating exhibited a high anti-biofilm property against a mixed culture and three pure strains (Bacillus subtilis, Pseudomonas aeruginosa, and Escherichia coli). The loading amount and space distribution of norspermidine in the multilayer coating were key factors influencing its anti-biofilm efficacy. The polymer coating with norspermidine loaded in each bilayer (each-layer-type) exhibited better anti-biofilm efficacy than the bottom-type and the top-type coating, which showed a stable biofilm inhibition rate of about 60 % even after 5-day leaching in aqueous solution. Norspermidine could retard bacterial adhesion and destruct biofilm matrix by reducing exopolysaccharides and extracellular DNA (eDNA) associated with bacteria instead of growth inhibition. Norspermidine and the norspermidine-hosting coatings in this study offer a great potential for the control of biofilms in the settings of water purification and wastewater treatment systems, which shows the advantage of broad spectrum and less risk of evolved bacterial resistance compared to conventional microbicidal agents (e.g., antibiotics).

  4. Simulation of organic molecule formation in solar system environments-The Miller-Urey Experiment in Space project overview

    Science.gov (United States)

    Kotler, J. Michelle; Ehrenfruend, Pascale; Botta, Oliver; Blum, Jurgen; Schrapler, Rainer; van Dongen, Joost; Palmans, Anja; Sephton, Mark A.; Martins, Zita; Cleaves, Henderson J.; Ricco, Antonio

    The Miller-Urey Experiment in space (MUE) investigates the formation of potential prebiotic organic compounds in the early solar system environment. The MUE experiment will be sent to and retrieved from the International Space Station (ISS), where it will be performed inside the Microgravity Science Glovebox (MSG). The goal of this space experiment is to understand prebiotic reactions in microgravity by simulating environments of the early solar nebula. The dynamic environment of the solar nebula with the simultaneous presence of gas, particles, and energetic processes, including shock waves, lightning, and radiation may trigger a rich organic chemistry leading to organic molecules. These environments will be simulated in six fabricated vials containing various gas mixtures as well as solid particles. Two gas mixture compositions will be tested and subjected to continuous spark discharges for 48, 96, and 192 hours. Silicate particles will serve as surfaces on which thin water ice mantles can accrete. The particles will move repeatedly through a high-voltage spark discharge in microgravity, enabling chemical re-actions analogous to the original Miller-Urey experiment. The experiment will be performed at low temperatures (-5 C), slowing hydrolysis and improving chances of detection of interme-diates, initial products, and their distributions. Executing the Miller-Urey experiment in the space environment (microgravity) allows us to simulate conditions that could have prevailed in the energetic early solar nebula and provides insights into the chemical pathways that may occur in forming planetary systems. Analysis will be performed post-flight using chemical analytical methods. The anticipated results will provide information about chemical reaction pathways to form organic compounds in space environment, emphasizing abiotic chemical pathways and mechanisms that could have been crucial in the formation of biologically relevant compounds such as amino acids and

  5. Formation of deeply bound ultracold LiRb molecules via photoassociation near the Li 2 S1 /2+Rb 5 P3 /2 asymptote

    Science.gov (United States)

    Lorenz, John; Altaf, Adeel; Dutta, Sourav; Chen, Yong P.; Elliott, D. S.

    2014-12-01

    We present spectra of ultracold 7Li85Rb molecules in their electronic ground state formed by spontaneous decay of weakly bound photoassociated molecules. Beginning with atoms in a dual-species magneto-optical trap, weakly bound molecules are formed in the 4(1) electronic state, which corresponds to the B1Π state at short range. These molecules spontaneously decay to the electronic ground state and we use resonantly enhanced multiphoton ionization to determine the vibrational population distribution in the electronic ground states after spontaneous emission. Many of the observed lines from the spectra are consistent with transitions from the X1Σ+ ground electronic state to either the B1Π or the D1Π electronic state that has been previously observed, with levels possibly as low as X1Σ+ (v''=2 ) being populated. We do not observe decay to weakly bound vibrational levels of the X1Σ+ or a3Σ+ electronic state in the spectra. We also deduce a lower bound of 3900 cm -1 for the dissociation energy of the LiRb + molecular ion.

  6. Formation of deeply bound ultracold LiRb molecules via photoassociation near the Li 2S$_{1/2}$ + Rb 5P$_{3/2}$ asymptote

    CERN Document Server

    Lorenz, John; Dutta, Sourav; Chen, Yong P; Elliott, D S

    2014-01-01

    We present spectra of ultracold $^7$Li$^{85}$Rb molecules in their electronic ground state formed by spontaneous decay of weakly bound photoassociated molecules. Beginning with atoms in a dual species magneto-optical trap (MOT), weakly bound molecules are formed in the 4(1) electronic state, which corresponds to the B$^1\\Pi$ state at short range. These molecules spontaneously decay to the electronic ground state and we use resonantly enhanced multiphoton ionization (REMPI) to determine the vibrational population distribution in the electronic ground states after spontaneous emission. Many of the observed lines from the spectra are consistent with transitions from the X$^1\\Sigma^+$ ground electronic state to either the B$^1\\Pi$ or D$^1\\Pi$ electronic states that have been previously observed, with levels possibly as low as X$^1\\Sigma^+$ $(v'' = 2)$ being populated. We do not observe decay to weakly bound vibrational levels of the X$^1\\Sigma^+$ or a$^3\\Sigma^+$ electronic states in the spectra. We also deduce a...

  7. The formation of organic molecules in solar system environments: The Miller-Urey Experiment in Space preflight overview

    Science.gov (United States)

    Kotler, J.; Ehrenfreund, P.; Martins, Z.; Ricco, A.; Blum, J.; Schraepler, R.; van Dongen, J.; Palmans, A.; Sephton, M.; Cleaves, H. J.

    2011-12-01

    The Miller-Urey Experiment in space (MUE) will investigate the formation of prebiotic organic compounds in the early solar system environment when it is sent to, and later retrieved from, the International Space Station in 2012. The dynamic environment of the solar nebula with the simultaneous presence of gas, particles, and energetic processes, including shock waves, electrical discharges, and radiation may trigger a rich organic chemistry leading to organic molecules. Two gas mixture compositions (CH4, NH3, H2 and N2, H2, CO) will be tested and subjected to continuous spark discharges for 48, 96, and 192 hours. Silicate particles will serve as surfaces on which thin water ice mantles can accrete. The experiment will be performed at low temperatures (-5 °C), slowing hydrolysis and improving chances of detection of initial products, intermediates and their abundances. Conducting the Miller-Urey experiment in the space environment (microgravity) allows us to simulate conditions that could have prevailed in the low gravity, energetic early solar nebula and provides insights into the chemical pathways that may occur as planetary systems form.

  8. Chemometric analysis reveals links in the formation of fragrant bio-molecules during agarwood (Aquilaria malaccensis) and fungal interactions

    Science.gov (United States)

    Sen, Supriyo; Dehingia, Madhusmita; Talukdar, Narayan Chandra; Khan, Mojibur

    2017-01-01

    Fragrant agarwood, arguably the costliest wood in the world, is formed by plant-fungal interactions in Aquilaria spp. However, very little is known about this fragrant outcome of interaction. Therefore, mimicking the ancient traditions of agarwood production in Assam (Northeast India), a chemometric assessment of the agarwood-fungus interaction was made by chemical profiling (GC-MS) coupled with statistical analysis (principal component, correlation network analysis) across three platforms, viz. callus, juvenile plants and resinous wood-chips with an associated Fusarium. In the study of callus-fungus interaction, increased accumulation of key aroma compounds such as pentatriacontane {fold change (log2FC) = 3.47)}, 17-pentatriacontene (log2FC = 2.95), tetradecane, 2-methyl- (log2FC = 1.10) over callus and activation of pathways related to defense and secondary metabolism indicated links to aroma production. Study on fungal interactions in juvenile plants and resinous wood-chips indicated formation of terpenoid precursors (e.g. farnesol, geranylgeraniol acetate) and agarwood sesquiterpenes (e.g. agarospirol, γ-eudesmol). Correlation network analysis revealed the possible regulation of sesquiterpene biosynthesis involving squalene. Also a direct role of fungus in aroma (e.g. dodecane, 4-methyl-, tetracosane) was highlighted. Appearance of fragrant molecules unknown to agarwood during interaction featured as a new possibility for future research. PMID:28290512

  9. GABA and Topiramate Inhibit the Formation of Human Macrophage-Derived Foam Cells by Modulating Cholesterol-Metabolism-Associated Molecules

    Directory of Open Access Journals (Sweden)

    Ying Yang

    2014-04-01

    Full Text Available Aims: γ-aminobutyric acid (GABA, the principal inhibitory neurotransmitter, acts on GABA receptors to play an important role in the modulation of macrophage functions. The present study examined the effects of GABA and a GABA receptor agonist on modulating cholesterol-metabolism-associated molecules in human monocyte-derived macrophages (HMDMs. Methods: ORO stain, HPLC, qRT-PCR, Western blot and EMSA were carried out using HMDMs exposed to ox-LDL with or without GABAergic agents as the experimental model. Results: GABA and topiramate reduced the percentage of cholesterol ester in lipid-laden HMDMs by down-regulating SR-A, CD36 and LOX-1 expression and up-regulating ABCA1, ABCG1 and SR-BI expression in lipid-laden HMDMs. The production of TNF-a was decreased in GABA-and topiramate-treated lipid-laden HMDMs, and levels of interleukin (IL-6 did not change. The activation of two signaling pathways, p38MAPK and NF-γB, was repressed by GABA and topiramate in lipid-laden HMDMs. Conclusion: GABA and topiramate inhibit the formation of human macrophage-derived foam cells and may be a possibility for macrophage targeted therapy of atherosclerotic lesions.

  10. Trapped antihydrogen

    Science.gov (United States)

    Butler, E.; Andresen, G. B.; Ashkezari, M. D.; Baquero-Ruiz, M.; Bertsche, W.; Bowe, P. D.; Cesar, C. L.; Chapman, S.; Charlton, M.; Deller, A.; Eriksson, S.; Fajans, J.; Friesen, T.; Fujiwara, M. C.; Gill, D. R.; Gutierrez, A.; Hangst, J. S.; Hardy, W. N.; Hayden, M. E.; Humphries, A. J.; Hydomako, R.; Jenkins, M. J.; Jonsell, S.; Jørgensen, L. V.; Kemp, S. L.; Kurchaninov, L.; Madsen, N.; Menary, S.; Nolan, P.; Olchanski, K.; Olin, A.; Povilus, A.; Pusa, P.; Rasmussen, C. Ø.; Robicheaux, F.; Sarid, E.; Seif el Nasr, S.; Silveira, D. M.; So, C.; Storey, J. W.; Thompson, R. I.; van der Werf, D. P.; Wurtele, J. S.; Yamazaki, Y.

    Precision spectroscopic comparison of hydrogen and antihydrogen holds the promise of a sensitive test of the Charge-Parity-Time theorem and matter-antimatter equivalence. The clearest path towards realising this goal is to hold a sample of antihydrogen in an atomic trap for interrogation by electromagnetic radiation. Achieving this poses a huge experimental challenge, as state-of-the-art magnetic-minimum atom traps have well depths of only ˜1 T (˜0.5 K for ground state antihydrogen atoms). The atoms annihilate on contact with matter and must be `born' inside the magnetic trap with low kinetic energies. At the ALPHA experiment, antihydrogen atoms are produced from antiprotons and positrons stored in the form of non-neutral plasmas, where the typical electrostatic potential energy per particle is on the order of electronvolts, more than 104 times the maximum trappable kinetic energy. In November 2010, ALPHA published the observation of 38 antiproton annihilations due to antihydrogen atoms that had been trapped for at least 172 ms and then released—the first instance of a purely antimatter atomic system confined for any length of time (Andresen et al., Nature 468:673, 2010). We present a description of the main components of the ALPHA traps and detectors that were key to realising this result. We discuss how the antihydrogen atoms were identified and how they were discriminated from the background processes. Since the results published in Andresen et al. (Nature 468:673, 2010), refinements in the antihydrogen production technique have allowed many more antihydrogen atoms to be trapped, and held for much longer times. We have identified antihydrogen atoms that have been trapped for at least 1,000 s in the apparatus (Andresen et al., Nature Physics 7:558, 2011). This is more than sufficient time to interrogate the atoms spectroscopically, as well as to ensure that they have relaxed to their ground state.

  11. Novel anti-bacterial activities of β-defensin 1 in human platelets: suppression of pathogen growth and signaling of neutrophil extracellular trap formation.

    Directory of Open Access Journals (Sweden)

    Bjoern F Kraemer

    2011-11-01

    Full Text Available Human β-defensins (hBD are antimicrobial peptides that curb microbial activity. Although hBD's are primarily expressed by epithelial cells, we show that human platelets express hBD-1 that has both predicted and novel antibacterial activities. We observed that activated platelets surround Staphylococcus aureus (S. aureus, forcing the pathogens into clusters that have a reduced growth rate compared to S. aureus alone. Given the microbicidal activity of β-defensins, we determined whether hBD family members were present in platelets and found mRNA and protein for hBD-1. We also established that hBD-1 protein resided in extragranular cytoplasmic compartments of platelets. Consistent with this localization pattern, agonists that elicit granular secretion by platelets did not readily induce hBD-1 release. Nevertheless, platelets released hBD-1 when they were stimulated by α-toxin, a S. aureus product that permeabilizes target cells. Platelet-derived hBD-1 significantly impaired the growth of clinical strains of S. aureus. hBD-1 also induced robust neutrophil extracellular trap (NET formation by target polymorphonuclear leukocytes (PMNs, which is a novel antimicrobial function of β-defensins that was not previously identified. Taken together, these data demonstrate that hBD-1 is a previously-unrecognized component of platelets that displays classic antimicrobial activity and, in addition, signals PMNs to extrude DNA lattices that capture and kill bacteria.

  12. Ultra-cold molecule production.

    Energy Technology Data Exchange (ETDEWEB)

    Ramirez-Serrano, Jamie; Chandler, David W.; Strecker, Kevin; Rahn, Larry A.

    2005-12-01

    The production of Ultra-cold molecules is a goal of many laboratories through out the world. Here we are pursuing a unique technique that utilizes the kinematics of atomic and molecular collisions to achieve the goal of producing substantial numbers of sub Kelvin molecules confined in a trap. Here a trap is defined as an apparatus that spatially localizes, in a known location in the laboratory, a sample of molecules whose temperature is below one degree absolute Kelvin. Further, the storage time for the molecules must be sufficient to measure and possibly further cool the molecules. We utilize a technique unique to Sandia to form cold molecules from near mass degenerate collisions between atoms and molecules. This report describes the progress we have made using this novel technique and the further progress towards trapping molecules we have cooled.

  13. Trap split with Laguerre-Gaussian beams

    CERN Document Server

    Kazemi, Seyedeh Hamideh; Mahmoud, Mohammad

    2016-01-01

    The optical trapping techniques have been extensively used in physics, biophysics, micro-chemistry, and micro-mechanics to allow trapping and manipulation of materials ranging from particles, cells, biological substances, and polymers to DNA and RNA molecules. In this Letter, we present a convenient and effective way to generate a novel phenomenon of trapping, named trap split, in a conventional four-level double-$\\Lambda$ atomic system driven by four femtosecond Laguerre-Gaussian laser pulses. We find that trap split can be always achieved when atoms are trapped by such laser pulses, as compared to Gaussian ones. This work would greatly facilitate the trapping and manipulating the particles and generation of trap split. It may also suggest the possibility of extension into new research fields, such as micro-machining and biophysics.

  14. Combining single-molecule optical trapping and small-angle x-ray scattering measurements to compute the persistence length of a protein ER/K alpha-helix.

    Science.gov (United States)

    Sivaramakrishnan, S; Sung, J; Ali, M; Doniach, S; Flyvbjerg, H; Spudich, J A

    2009-12-02

    A relatively unknown protein structure motif forms stable isolated single alpha-helices, termed ER/K alpha-helices, in a wide variety of proteins and has been shown to be essential for the function of some molecular motors. The flexibility of the ER/K alpha-helix determines whether it behaves as a force transducer, rigid spacer, or flexible linker in proteins. In this study, we quantify this flexibility in terms of persistence length, namely the length scale over which it is rigid. We use single-molecule optical trapping and small-angle x-ray scattering, combined with Monte Carlo simulations to demonstrate that the Kelch ER/K alpha-helix behaves as a wormlike chain with a persistence length of approximately 15 nm or approximately 28 turns of alpha-helix. The ER/K alpha-helix length in proteins varies from 3 to 60 nm, with a median length of approximately 5 nm. Knowledge of its persistence length enables us to define its function as a rigid spacer in a translation initiation factor, as a force transducer in the mechanoenzyme myosin VI, and as a flexible spacer in the Kelch-motif-containing protein.

  15. Combining Single-Molecule Optical Trapping and Small-Angle X-Ray Scattering Measurements to Compute the Persistence Length of a Protein ER/K alpha-Helix

    DEFF Research Database (Denmark)

    Sivaramakrishnan, S.; Sung, J.; Ali, M.

    2009-01-01

    A relatively unknown protein structure motif forms stable isolated single alpha-helices, termed ER/K alpha-helices, in a wide variety of proteins and has been shown to be essential for the function of some molecular motors. The flexibility of the ER/K alpha-helix determines whether it behaves...... as a force transducer, rigid spacer, or flexible linker in proteins. In this study, we quantity this flexibility in terms of persistence length, namely the length scale over which it is rigid. We use single-molecule optical trapping and small-angle x-ray scattering, combined with Monte Carlo simulations...... to demonstrate that the Kelch ER/K alpha-helix behaves as a wormlike chain with a persistence length of similar to 15 nm or similar to 28 turns of alpha-helix. The ER/K alpha-helix length in proteins varies from 3 to 60 nm, with a median length of similar to 5 nm. Knowledge of its persistence length enables us...

  16. Formation and Characterization of ZrO3 and HfO3 Molecules in Solid Argon

    Institute of Scientific and Technical Information of China (English)

    Yu Gong; Ming-fei Zhou

    2009-01-01

    ZrO3 and HfO3 molecules were prepared via reactions of metal monoxides with dioxygen in solid argon and were characterized using matrix isolation infrared absorption spectroscopy as well as theoretical calculations. Unlike the titanium monoxide molecule, which reacted spontaneously with dioxygen to form TiO3, the ZrO and HfO molecules reacted with dioxygen to give the ZrO3 and HfO3 molecules only under visible light irradiation. Density functional calculations predicted that both the ZrO3 and HfO3 molecules possess a closed-shell singlet ground state with a non-planar Cs geometry, in which the side-on coordinated O2 falls into the peroxide category.

  17. A pentacene monolayer trapped between graphene and a substrate

    Science.gov (United States)

    Zhang, Qicheng; Peng, Boyu; Chan, Paddy Kwok Leung; Luo, Zhengtang

    2015-08-01

    A self-assembled pentacene monolayer can be fabricated between the solid-solid interface of few-layered graphene (FLG) and the mica substrate, through a diffusion-spreading method. By utilizing a transfer method that allows us to sandwich pentacene between graphene and mica, followed by controlled annealing, we enabled the diffused pentacene to be trapped in the interfaces and led to the formation of a stable monolayer. We found that the formation of a monolayer is kinetically favored by using a 2D Ising lattice gas model for pentacene trapped between the graphene-substrate interfaces. This kinetic Monte Carlo simulation results indicate that, due to the graphene substrate enclosure, the spreading of the first layer proceeds faster than the second layer, as the kinetics favors the filling of voids by molecules from the second layer. This graphene assisted monolayer assembly method provides a new avenue for the fabrication of two-dimensional monolayer structures.A self-assembled pentacene monolayer can be fabricated between the solid-solid interface of few-layered graphene (FLG) and the mica substrate, through a diffusion-spreading method. By utilizing a transfer method that allows us to sandwich pentacene between graphene and mica, followed by controlled annealing, we enabled the diffused pentacene to be trapped in the interfaces and led to the formation of a stable monolayer. We found that the formation of a monolayer is kinetically favored by using a 2D Ising lattice gas model for pentacene trapped between the graphene-substrate interfaces. This kinetic Monte Carlo simulation results indicate that, due to the graphene substrate enclosure, the spreading of the first layer proceeds faster than the second layer, as the kinetics favors the filling of voids by molecules from the second layer. This graphene assisted monolayer assembly method provides a new avenue for the fabrication of two-dimensional monolayer structures. Electronic supplementary information (ESI

  18. Feedback traps for virtual potentials

    Science.gov (United States)

    Gavrilov, Momčilo; Bechhoefer, John

    2017-03-01

    Feedback traps are tools for trapping and manipulating single charged objects, such as molecules in solution. An alternative to optical tweezers and other single-molecule techniques, they use feedback to counteract the Brownian motion of a molecule of interest. The trap first acquires information about a molecule's position and then applies an electric feedback force to move the molecule. Since electric forces are stronger than optical forces at small scales, feedback traps are the best way to trap single molecules without `touching' them (e.g. by putting them in a small box or attaching them to a tether). Feedback traps can do more than trap molecules: they can also subject a target object to forces that are calculated to be the gradient of a desired potential function U(x). If the feedback loop is fast enough, it creates a virtual potential whose dynamics will be very close to those of a particle in an actual potential U(x). But because the dynamics are entirely a result of the feedback loop-absent the feedback, there is only an object diffusing in a fluid-we are free to specify and then manipulate in time an arbitrary potential U(x,t). Here, we review recent applications of feedback traps to studies on the fundamental connections between information and thermodynamics, a topic where feedback plays an even more fundamental role. We discuss how recursive maximum-likelihood techniques allow continuous calibration, to compensate for drifts in experiments that last for days. We consider ways to estimate work and heat, using them to measure fluctuating energies to a precision of ±0.03 kT over these long experiments. Finally, we compare work and heat measurements of the costs of information erasure, the Landauer limit of kT ln 2 per bit of information erased. We argue that, when you want to know the average heat transferred to a bath in a long protocol, you should measure instead the average work and then infer the heat using the first law of thermodynamics. This

  19. d(− Lactic Acid-Induced Adhesion of Bovine Neutrophils onto Endothelial Cells Is Dependent on Neutrophils Extracellular Traps Formation and CD11b Expression

    Directory of Open Access Journals (Sweden)

    Pablo Alarcón

    2017-08-01

    Full Text Available Bovine ruminal acidosis is of economic importance as it contributes to reduced milk and meat production. This phenomenon is mainly attributed to an overload of highly fermentable carbohydrate, resulting in increased d(− lactic acid levels in serum and plasma. Ruminal acidosis correlates with elevated acute phase proteins in blood, along with neutrophil activation and infiltration into various tissues leading to laminitis and aseptic polysynovitis. Previous studies in bovine neutrophils indicated that d(− lactic acid decreased expression of L-selectin and increased expression of CD11b to concentrations higher than 6 mM, suggesting a potential role in neutrophil adhesion onto endothelia. The two aims of this study were to evaluate whether d(− lactic acid influenced neutrophil and endothelial adhesion and to trigger neutrophil extracellular trap (NET production (NETosis in exposed neutrophils. Exposure of bovine neutrophils to 5 mM d(− lactic acid elevated NET release compared to unstimulated neutrophil negative controls. Moreover, this NET contains CD11b and histone H4 citrullinated, the latter was dependent on PAD4 activation, a critical enzyme in DNA decondensation and NETosis. Furthermore, NET formation was dependent on d(− lactic acid plasma membrane transport through monocarboxylate transporter 1 (MCT1. d(− lactic acid enhanced neutrophil adhesion onto endothelial sheets as demonstrated by in vitro neutrophil adhesion assays under continuous physiological flow conditions, indicating that cell adhesion was a NET- and a CD11b/ICAM-1-dependent process. Finally, d(− lactic acid was demonstrated for the first time to trigger NETosis in a PAD4- and MCT1-dependent manner. Thus, d(− lactic acid-mediated neutrophil activation may contribute to neutrophil-derived pro-inflammatory processes, such as aseptic laminitis and/or polysynovitis in animals suffering acute ruminal acidosis.

  20. Interconnection of salt-induced hydrophobic compaction and secondary structure formation depends on solution conditions: revisiting early events of protein folding at single molecule resolution.

    Science.gov (United States)

    Haldar, Shubhasis; Chattopadhyay, Krishnananda

    2012-03-30

    What happens in the early stage of protein folding remains an interesting unsolved problem. Rapid kinetics measurements with cytochrome c using submillisecond continuous flow mixing devices suggest simultaneous formation of a compact collapsed state and secondary structure. These data seem to indicate that collapse formation is guided by specific short and long range interactions (heteropolymer collapse). A contrasting interpretation also has been proposed, which suggests that the collapse formation is rapid, nonspecific, and a trivial solvent related compaction, which could as well be observed by a homopolymer (homopolymer collapse). We address this controversy using fluorescence correlation spectroscopy (FCS), which enables us to monitor the salt-induced compaction accompanying collapse formation and the associated time constant directly at single molecule resolution. In addition, we follow the formation of secondary structure using far UV CD. The data presented here suggest that both these models (homopolymer and heteropolymer) could be applicable depending on the solution conditions. For example, the formation of secondary structure and compact state is not simultaneous in aqueous buffer. In aqueous buffer, formation of the compact state occurs through a two-state co-operative transition following heteropolymer formalism, whereas secondary structure formation takes place gradually. In contrast, in the presence of urea, a compaction of the protein radius occurs gradually over an extended range of salt concentration following homopolymer formalism. The salt-induced compaction and the formation of secondary structure take place simultaneously in the presence of urea.

  1. The in situ gas-phase formation of a C-glycoside ion obtained during electrospray ionization tandem mass spectrometry. A unique intramolecular mechanism involving an ion-molecule reaction.

    Science.gov (United States)

    Banoub, Joseph H; Demian, Wael L L; Piazzetta, Paolo; Sarkis, George; Kanawati, Basem; Lafont, Dominique; Laurent, Nicolas; Vaillant, Celine; Randell, Edward; Giorgi, Gianluca; Fridgen, Travis D

    2015-10-15

    This study examines the electrospray ionization mass spectrometry (ESI-MS), in-source collision-induced dissociation (CID) fragmentation and low-energy collision-induced dissociation tandem mass spectrometry (CID-MS/MS) of a synthetic pair of β- and α-anomers of the amphiphilic cholesteryl polyethoxy neoglycolipids containing the 2-azido-2-deoxy-D-galactosyl-D-GalN3 moiety. We describe the novel and unique in situ gas-phase formation of a C-glycoside ion formed during all these gas-phase processes and propose a reasonable mechanism for its formation. The synthetic amphiphilic glycolipids were composed of the 2-deoxy-2-azido-D-galactosyl moiety (GalN3, the hydrophilic part) covalently attached to a polyethoxy spacer which is covalently linked to the cholesteryl moiety (hydrophobic part). The 2-azido-2-deoxy-α- and β-D-galactosyl-containing glycolipids were studied by in-time and in-space ESI-MS and CID-MS/MS in positive ion mode, with quadrupole ion trap (QIT), quadrupole-quadrupole-time-of-flight (QqTOF), and Fourier transform ion cyclotron resonance (FTICR) instruments. Conventional single-stage ESI-MS analysis showed the formation of the protonated molecule. During the single-stage ESI-MS analysis and the CID-MS/MS of the [M+H](+) and [M+NH4](+) adducts obtained from both glycolipid anomers, the presence of a series of specific product ions with different intensities was observed, consistent with the [C-glycoside+H-N2](+), [cholestadiene+H](+), 2-deoxy-2-D-azido-galactosyl [GalN3](+), [GalNH](+) and [sugar-Spacer+H](+) ions. The gas-phase formation of the [C-glycoside+H-N2](+) ion isolated from the glycolipid anomers was observed during both the ESI-MS of the glycolipids and the CID-MS/MS analyses of the [M+H](+) ions and it was found to occur by an intramolecular rearrangement involving an ion-molecule complex. CID-QqTOF-MS/MS and CID-FTICR-MS(2) analysis allowed the differentiation of the two glycolipid anomers and showed noticeable variation in the

  2. Methylfolate Trap Promotes Bacterial Thymineless Death by Sulfa Drugs.

    Directory of Open Access Journals (Sweden)

    Marissa B Guzzo

    2016-10-01

    Full Text Available The methylfolate trap, a metabolic blockage associated with anemia, neural tube defects, Alzheimer's dementia, cardiovascular diseases, and cancer, was discovered in the 1960s, linking the metabolism of folate, vitamin B12, methionine and homocysteine. However, the existence or physiological significance of this phenomenon has been unknown in bacteria, which synthesize folate de novo. Here we identify the methylfolate trap as a novel determinant of the bacterial intrinsic death by sulfonamides, antibiotics that block de novo folate synthesis. Genetic mutagenesis, chemical complementation, and metabolomic profiling revealed trap-mediated metabolic imbalances, which induced thymineless death, a phenomenon in which rapidly growing cells succumb to thymine starvation. Restriction of B12 bioavailability, required for preventing trap formation, using an "antivitamin B12" molecule, sensitized intracellular bacteria to sulfonamides. Since boosting the bactericidal activity of sulfonamides through methylfolate trap induction can be achieved in Gram-negative bacteria and mycobacteria, it represents a novel strategy to render these pathogens more susceptible to existing sulfonamides.

  3. Magnetic Trapping of Cold Bromine Atoms

    CERN Document Server

    Rennick, C J; Doherty, W G; Softley, T P

    2014-01-01

    Magnetic trapping of bromine atoms at temperatures in the milliKelvin regime is demonstrated for the first time. The atoms are produced by photodissociation of Br$_2$ molecules in a molecular beam. The lab-frame velocity of Br atoms is controlled by the wavelength and polarization of the photodissociation laser. Careful selection of the wavelength results in one of the pair of atoms having sufficient velocity to exactly cancel that of the parent molecule, and it remains stationary in the lab frame. A trap is formed at the null point between two opposing neodymium permanent magnets. Dissociation of molecules at the field minimum results in the slowest fraction of photofragments remaining trapped. After the ballistic escape of the fastest atoms, the trapped slow atoms are only lost by elastic collisions with the chamber background gas. The measured loss rate is consistent with estimates of the total cross section for only those collisions transferring sufficient kinetic energy to overcome the trapping potential...

  4. Magnetic trapping of cold bromine atoms.

    Science.gov (United States)

    Rennick, C J; Lam, J; Doherty, W G; Softley, T P

    2014-01-17

    Magnetic trapping of bromine atoms at temperatures in the millikelvin regime is demonstrated for the first time. The atoms are produced by photodissociation of Br2 molecules in a molecular beam. The lab-frame velocity of Br atoms is controlled by the wavelength and polarization of the photodissociation laser. Careful selection of the wavelength results in one of the pair of atoms having sufficient velocity to exactly cancel that of the parent molecule, and it remains stationary in the lab frame. A trap is formed at the null point between two opposing neodymium permanent magnets. Dissociation of molecules at the field minimum results in the slowest fraction of photofragments remaining trapped. After the ballistic escape of the fastest atoms, the trapped slow atoms are lost only by elastic collisions with the chamber background gas. The measured loss rate is consistent with estimates of the total cross section for only those collisions transferring sufficient kinetic energy to overcome the trapping potential.

  5. Nematode-trapping fungi eavesdrop on nematode pheromones.

    Science.gov (United States)

    Hsueh, Yen-Ping; Mahanti, Parag; Schroeder, Frank C; Sternberg, Paul W

    2013-01-07

    The recognition of molecular patterns associated with specific pathogens or food sources is fundamental to ecology and plays a major role in the evolution of predator-prey relationships. Recent studies showed that nematodes produce an evolutionarily highly conserved family of small molecules, the ascarosides, which serve essential functions in regulating nematode development and behavior. Here, we show that nematophagous fungi, natural predators of soil-dwelling nematodes, can detect and respond to ascarosides. Nematophagous fungi use specialized trapping devices to catch and consume nematodes, and previous studies demonstrated that most fungal species do not produce traps constitutively but rather initiate trap formation in response to their prey. We found that ascarosides, which are constitutively secreted by many species of soil-dwelling nematodes, represent a conserved molecular pattern used by nematophagous fungi to detect prey and trigger trap formation. Ascaroside-induced morphogenesis is conserved in several closely related species of nematophagous fungi and occurs only under nutrient-deprived conditions. Our results demonstrate that microbial predators eavesdrop on chemical communication among their metazoan prey to regulate morphogenesis, providing a striking example of predator-prey coevolution. We anticipate that these findings will have broader implications for understanding other interkingdom interactions involving nematodes, which are found in almost any ecological niche on Earth.

  6. Trapping and Cooling of Polar Molecules

    Science.gov (United States)

    2009-06-06

    conductivity and adequate mechanical strength. This consists of vapor-depositing Cu on the edges of the substrate (just as needed on the front...surface for the mirror itself), and then using a low-temperature braze alloy to attach copper cooling blocks housing the water lines. Calculation of

  7. Trapped antihydrogen

    CERN Document Server

    Butler, E; Ashkezari, M D; Baquero-Ruiz, M; Bertsche, W; Bowe, P D; Cesar, C L; Chapman, S; Charlton, M; Deller, A; Eriksson, S; Fajans, J; Friesen, T; Fujiwara, M C; Gill, D R; Gutierrez, A; Hangst, J S; Hardy, W N; Hayden, M E; Humphries, A J; Hydomako, R; Jenkins, M J; Jonsell, S; Jørgensen, L V; Kemp, S L; Kurchaninov, L; Madsen, N; Menary, S; Nolan, P; Olchanski, K; Olin, A; Povilus, A; Pusa, P; Rasmussen, C Ø; Robicheaux, F; Sarid, E; Seif el Nasr, S; Silveira, D M; So, C; Storey, J W; Thompson, R I; van der Werf, D P; Wurtele, J S; Yamazaki,Y

    2012-01-01

    Precision spectroscopic comparison of hydrogen and antihydrogen holds the promise of a sensitive test of the Charge-Parity-Time theorem and matter-antimatter equivalence. The clearest path towards realising this goal is to hold a sample of antihydrogen in an atomic trap for interrogation by electromagnetic radiation. Achieving this poses a huge experimental challenge, as state-of-the-art magnetic-minimum atom traps have well depths of only ∼1 T (∼0.5 K for ground state antihydrogen atoms). The atoms annihilate on contact with matter and must be ‘born’ inside the magnetic trap with low kinetic energies. At the ALPHA experiment, antihydrogen atoms are produced from antiprotons and positrons stored in the form of non-neutral plasmas, where the typical electrostatic potential energy per particle is on the order of electronvolts, more than 104 times the maximum trappable kinetic energy. In November 2010, ALPHA published the observation of 38 antiproton annihilations due to antihydrogen atoms that had been ...

  8. 煤层气分子成泡的微观过程研究%A Study on Micro Process of Coalbed Methane Molecules' Bubble Formation

    Institute of Scientific and Technical Information of China (English)

    张硕; 杨平

    2012-01-01

    The chemical theories are used to describe process of coalbed methane (CBM) molecules' dissolution and bubbles formation. Moreover,forces and works of bubbles formation are analyzed,combined with real situation of the field production practice, bubbles formation influence of temperature, overlying pressure,reservoir water salinity,pressure drop and pore medium size are discussed. It shows that methane molecules' bubbles formation in the water includes methane molecules four process of bubbles dissolved in water,local gathered nucleation,bubbles formation and bubble burst,the air bubble growth and stability. The smaller overlying pressure is, the larger pressure drop is, the easier methane molecules form stable bubbles,during early period of CBM development,low temperature and low salinity are benefical to bubble formation when methane molecules move with the diffusion way.%运用化学理论对煤层气分子(主要成分为甲烷)在地层水的溶解和成泡过程进行了描述,对成泡过程的受力与做功进行分析,并结合生产实际讨论了温度、生产压差、地层水矿化度、压力降和孔隙介质的大小对甲烷分子成泡规律的影响.研究表明:甲烷分子在水中成泡包括甲烷分子在水中的溶解、局部聚集成核、成泡与气泡的破裂和气泡的生长与稳定4个过程.上覆压力越小,开发的压力降越大越有利于甲烷分子脱附后形成稳定的气泡;在煤层气开发初期,甲烷以扩散方式运移,低温和低矿化度有利于气泡的生成.

  9. Atom trap trace analysis

    Energy Technology Data Exchange (ETDEWEB)

    Lu, Z.-T.; Bailey, K.; Chen, C.-Y.; Du, X.; Li, Y.-M.; O' Connor, T. P.; Young, L.

    2000-05-25

    A new method of ultrasensitive trace-isotope analysis has been developed based upon the technique of laser manipulation of neutral atoms. It has been used to count individual {sup 85}Kr and {sup 81}Kr atoms present in a natural krypton sample with isotopic abundances in the range of 10{sup {minus}11} and 10{sup {minus}13}, respectively. The atom counts are free of contamination from other isotopes, elements,or molecules. The method is applicable to other trace-isotopes that can be efficiently captured with a magneto-optical trap, and has a broad range of potential applications.

  10. An Optical Tweezers Platform for Single Molecule Force Spectroscopy in Organic Solvents.

    Science.gov (United States)

    Black, Jacob; Kamenetska, Maria; Ganim, Ziad

    2017-10-03

    Observation at the single molecule level has been a revolutionary tool for molecular biophysics and materials science, but single molecule studies of solution-phase chemistry are less widespread. In this work we develop an experimental platform for solution-phase single molecule force spectroscopy in organic solvents. This optical-tweezer-based platform was designed for broad chemical applicability and utilizes optically trapped core-shell microspheres, synthetic polymer tethers, and click chemistry linkages formed in situ. We have observed stable optical trapping of the core-shell microspheres in ten different solvents, and single molecule link formation in four different solvents. These experiments demonstrate how to use optical tweezers for single molecule force application in the study of solution-phase chemistry.

  11. Array formatting of the heat-transfer method (HTM) for the detection of small organic molecules by molecularly imprinted polymers.

    Science.gov (United States)

    Wackers, Gideon; Vandenryt, Thijs; Cornelis, Peter; Kellens, Evelien; Thoelen, Ronald; De Ceuninck, Ward; Losada-Pérez, Patricia; van Grinsven, Bart; Peeters, Marloes; Wagner, Patrick

    2014-06-20

    In this work we present the first steps towards a molecularly imprinted polymer (MIP)-based biomimetic sensor array for the detection of small organic molecules via the heat-transfer method (HTM). HTM relies on the change in thermal resistance upon binding of the target molecule to the MIP-type receptor. A flow-through sensor cell was developed, which is segmented into four quadrants with a volume of 2.5 μL each, allowing four measurements to be done simultaneously on a single substrate. Verification measurements were conducted, in which all quadrants received a uniform treatment and all four channels exhibited a similar response. Subsequently, measurements were performed in quadrants, which were functionalized with different MIP particles. Each of these quadrants was exposed to the same buffer solution, spiked with different molecules, according to the MIP under analysis. With the flow cell design we could discriminate between similar small organic molecules and observed no significant cross-selectivity. Therefore, the MIP array sensor platform with HTM as a readout technique, has the potential to become a low-cost analysis tool for bioanalytical applications.

  12. Maximization of permanent trapping of CO{sub 2} and co-contaminants in the highest-porosity formations of the Rock Springs Uplift (Southwest Wyoming): experimentation and multi-scale modeling

    Energy Technology Data Exchange (ETDEWEB)

    Piri, Mohammad

    2014-03-31

    Under this project, a multidisciplinary team of researchers at the University of Wyoming combined state-of-the-art experimental studies, numerical pore- and reservoir-scale modeling, and high performance computing to investigate trapping mechanisms relevant to geologic storage of mixed scCO{sub 2} in deep saline aquifers. The research included investigations in three fundamental areas: (i) the experimental determination of two-phase flow relative permeability functions, relative permeability hysteresis, and residual trapping under reservoir conditions for mixed scCO{sub 2}-­brine systems; (ii) improved understanding of permanent trapping mechanisms; (iii) scientifically correct, fine grid numerical simulations of CO{sub 2} storage in deep saline aquifers taking into account the underlying rock heterogeneity. The specific activities included: (1) Measurement of reservoir-­conditions drainage and imbibition relative permeabilities, irreducible brine and residual mixed scCO{sub 2} saturations, and relative permeability scanning curves (hysteresis) in rock samples from RSU; (2) Characterization of wettability through measurements of contact angles and interfacial tensions under reservoir conditions; (3) Development of physically-­based dynamic core-­scale pore network model; (4) Development of new, improved high-­performance modules for the UW-­team simulator to provide new capabilities to the existing model to include hysteresis in the relative permeability functions, geomechanical deformation and an equilibrium calculation (Both pore-­ and core-­scale models were rigorously validated against well-­characterized core-­ flooding experiments); and (5) An analysis of long term permanent trapping of mixed scCO{sub 2} through high-­resolution numerical experiments and analytical solutions. The analysis takes into account formation heterogeneity, capillary trapping, and relative permeability hysteresis.

  13. Effects of Self-coiling of Organic Molecules on Intramolecular Exciplex Formation and Fluorescence Quenching in DX-H2O Solvent System

    Institute of Scientific and Technical Information of China (English)

    CHEN,Ying-Qi(陈英奇); WANG,Xiao-Zhong(王晓钟); JIANG,Xi-Kui(蒋锡夔); SHI,Ji-Liang(史济良); SHI,Min(施敏); LI,Zhan-Tmg(黎占亭)

    2002-01-01

    Effects of self-coiling of organic molecules on intramolecular exciplex formation of compound I, in which the carbazole chromophore and terephthalic acid methylester acceptor group are linked by one (CH2)10 chain, and the decrease of the fluorescence intensities of compounds H, Ⅲ, and Ⅳ, in which the carbazole chromophore and 3,5-dinitrobenzoate are connected by one aliphatic chain of (CH2)10 (Ⅱ), (CH2)12 (Ⅲ),or (CH2)4 (Ⅳ), have been studied in the dioxane(DX)-H2Obinary system. The results show that self-coiling of organic molecules in DX-H2O facilitates intramolecular exciplex formation of Ⅰ and induces the decrease of fluorescence intensities of Ⅱ, because of the proximity effect brought about by selfcoiling of organic molecules under hydrophobic-lipophilic interaction (HLI) between the excited carbazole chromophore and the acceptor. Since the similar effects are observed even when the concentrations of the probes are less than their CAgCs (critical aggregate concentratons) in the DX-H2Omixture withthe same φ values, formation of the intermolecular exciplex has been excluded. The effects are found to be strongly depended on φ values, indicating that they are mainly driven by HLI. The properties of the acceptors can also affect the intrmolecular exciplex formation. With terephthalic acid methylester moiety as the acceptor, the carbazole chromophore exihibits the fluorescence spectra of the exciplex,while with 3,5- dinitrobenzoate moiety as the acceptor, only the fluorescence spectra of excited carbazolyl chromphore are observed.

  14. Trapped phonons

    CERN Document Server

    Mannarelli, Massimo

    2013-01-01

    We analyze the effect of restricted geometries on the contribution of Nambu-Goldstone bosons (phonons) to the shear viscosity, $\\eta$, of a superfluid. For illustrative purpose we examine a simplified system consisting of a circular boundary of radius $R$, confining a two-dimensional rarefied gas of phonons. Considering the Maxwell-type conditions, we show that phonons that are not in equilibrium with the boundary and that are not specularly reflected exert a shear stress on the boundary. In this case it is possible to define an effective (ballistic) shear viscosity coefficient $\\eta \\propto \\rho_{\\rm ph} \\chi R$, where $\\rho_{\\rm ph}$ is the density of phonons and $\\chi$ is a parameter which characterizes the type of scattering at the boundary. For an optically trapped superfluid our results corroborate the findings of Refs. \\cite{Mannarelli:2012su, Mannarelli:2012eg}, which imply that at very low temperature the shear viscosity correlates with the size of the optical trap and decreases with decreasing tempe...

  15. Nuclear molecule formation and time delay in collisions of nuclei with Z{sub 1} + Z{sub 2} ≥ 110

    Energy Technology Data Exchange (ETDEWEB)

    Heinz, S.; Beliuskina, O. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany); II. Physikalisches Institut, Justus-Liebig-Universitaet Giessen, Giessen (Germany); Comas, V.; Ackermann, D.; Kindler, B.; Lommel, B.; Mann, R.; Maurer, J. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany); Devaraja, H.M. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany); Manipal University, Manipal Centre for Natural Sciences, Kamataka (India); Technische Universitaet Darmstadt, Institut fuer Kernphysik, Darmstadt (Germany); Heinz, C.; Morherr, F. [II. Physikalisches Institut, Justus-Liebig-Universitaet Giessen, Giessen (Germany); Hofmann, S. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany); Goethe-Universitaet Frankfurt, Institut fuer Physik, Frankfurt (Germany); Kozulin, E. [JINR, Flerov Laboratory of Nuclear Reactions, Dubna, Moscow Region (Russian Federation); Muenzenberg, G. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany); Manipal University, Manipal Centre for Natural Sciences, Kamataka (India); Hessberger, F.P. [GSI Helmholtzzentrum fuer Schwerionenforschung GmbH, Darmstadt (Germany); Helmholtz Institut Mainz, Mainz (Germany)

    2015-11-15

    We investigated the formation of nuclear molecules and the occurrence of time delays in reactions of the superheavy systems {sup 64}Ni + {sup 207}Pb (Z{sub 1} + Z{sub 2} = 110), {sup 132}Xe + {sup 208}Pb (Z{sub 1} + Z{sub 2} = 136) and {sup 238}U + {sup 238}U (Z{sub 1} + Z{sub 2} = 184). In deep inelastic binary reactions of Ni + Pb and Xe + Pb we observed clear signatures for the formation of long-living molecule-like nuclear systems which rotate by large angles of 180 degree. The evolution of the nuclear molecules was accompanied by large energy dissipation and a strong deformation of the nuclear system. The results from the giant system U + U revealed striking similarities to the ones from Ni + Pb and Xe + Pb, showing that significant time delays still occur in the heaviest accessible systems. The experiments were performed at the velocity filter SHIP at GSI and at the VAMOS spectrometer at GANIL. (orig.)

  16. H-atom addition and abstraction reactions in mixed CO, H2CO and CH3OH ices: an extended view on complex organic molecule formation

    CERN Document Server

    Chuang, K -J; Ioppolo, S; van Dishoeck, E F; Linnartz, H

    2016-01-01

    Complex organic molecules (COMs) have been observed not only in the hot cores surrounding low- and high- mass protostars, but also in cold dark clouds. Therefore, it is interesting to understand how such species can be formed without the presence of embedded energy sources. We present new laboratory experiments on the low-temperature solid state formation of three complex molecules: methyl formate (HC(O)OCH3), glycolaldehyde (HC(O)CH2OH) and ethylene glycol (H2C(OH)CH2OH), through recombination of free radicals formed via H-atom addition and abstraction reactions at different stages in the CO-H2CO-CH3OH hydrogenation network at 15 K. The experiments extend previous CO hydrogenation studies and aim at resembling the physical&chemical conditions typical of the CO freeze-out stage in dark molecular clouds, when H2CO and CH3OH form by recombination of accreting CO molecules and H-atoms on ice grains. We confirm that H2CO, once formed through CO hydrogenation, not only yields CH3OH through ongoing H-atom addit...

  17. Hydrogen migration within a water molecule: formation of HD+ upon irradiation of HOD with intense, ultrashort laser pulses

    Science.gov (United States)

    Mathur, Deepak; Dharmadhikari, Aditya K.; Dharmadhikari, Jayashree A.; Vasa, Parinda

    2017-08-01

    We have carried out velocity map imaging experiments on HOD molecules irradiated by 10 fs long pulses of intense (˜1 PW cm-2) laser light (800 nm). We have detected HD+ ions as a signature of unimolecular hydrogen migration within the water molecule; ion momentum maps measured at different laser polarizations yield evidence that such hydrogen migration occurs on ultrafast timescales. We have been able to utilize the momentum maps to deduce that (i) the HD+ ion that is formed is vibrationally excited, and (ii) that the electronic state of the precursor HOD2+ dication has an essentially linear geometrical structure with elongated O-H and O-D bonds. Our results are in agreement with expectations from ab initio quantum chemical computations of potential energy surfaces of the lowest-energy states of HOD, HOD+ and HOD2+.

  18. Formation mechanism and yield of molecules ejected from ZnS, CdS, and FeS{sub 2} during ion bombardment

    Energy Technology Data Exchange (ETDEWEB)

    Nikzad, S.; Calaway, W.F.; Pellin, M.J.; Young, C.E.; Gruen, D.M. [Argonne National Lab., IL (United States); Tombrello, T.A. [California Inst. of Technology, Pasadena, CA (United States). Div. of Physics, Mathematics, and Astronomy

    1994-03-01

    Neutral species ejected from single crystals of ZnS, CdS, and FeS{sub 2} during ion bombardment by 3 keV Ar{sup +} were detected by laser post-ionization followed by time-of-flight mass spectrometry. While metal atoms (Fe, Zn, Cd) and S{sub 2} were the dominant species observed, substantial amounts of S, FeS, Zn{sub 2}, ZnS, Cd{sub 2}, and CdS were also detected. The experimental results demonstrate that molecules represent a larger fraction of the sputtered yield than was previously believed from secondary ion mass spectrometry experiments. In addition, the data suggest that the molecules are not necessarily formed from adjacent atoms in the solid and that a modified form of the recombination model could provide a mechanism for their formation.

  19. The contributions of BMP4, positive guidance cues, and repulsive molecules to cutaneous nerve formation in the chick hindlimb

    National Research Council Canada - National Science Library

    Honig, Marcia G; Camilli, Suzanne J; Surineni, Kiran M; Knight, Brian K; Hardin, Holly M

    2005-01-01

    Our previous surgical manipulations have shown that the target ectoderm is necessary for the initial formation of one of the major cutaneous nerves in the embryonic chick limb (Honig, M.G., Camilli, S.J., Xue, Q.S., 2004...

  20. The beneficial effect of small toxic molecules on dormancy alleviation and germination of apple embryos is due to NO formation.

    Science.gov (United States)

    Gniazdowska, Agnieszka; Krasuska, Urszula; Debska, Karolina; Andryka, Paulina; Bogatek, Renata

    2010-09-01

    Deep dormancy of apple (Malus domestica Borkh.) seeds is terminated by a 3-month-long cold stratification. It is expressed by rapid germination of seeds and undisturbed growth of seedlings. However, stimulation of germination of isolated apple embryos is also observed after applying inhibitors of cytochrome c oxidase: nitric oxide (NO) or hydrogen cyanide (HCN) during the first 3-6 h of imbibition of dormant embryos. The aim of this work was to compare the effect of yet another toxic gaseous molecule carbon monoxide (CO) with the effects of HCN and NO on germination of apple embryos and growth and development of young seedlings. We demonstrated that stimulation of germination after short-term pre-treatment with HCN, NO or CO was accompanied by enhanced NO emission from the embryo axes during their elongation. Moreover, similarly high NO production from non-dormant embryos, after cold stratification, was detected. Therefore, we propose that NO may act as signaling molecule in apple embryo dormancy break.

  1. Surface complex formation between aliphatic nitrile molecules and transition metal atoms for thermally stable lithium-ion batteries.

    Science.gov (United States)

    Kim, Young-Soo; Lee, Hochun; Song, Hyun-Kon

    2014-06-11

    Non-flammability of electrolyte and tolerance of cells against thermal abuse should be guaranteed for widespread applications of lithium-ion batteries (LIBs). As a strategy to improve thermal stability of LIBs, here, we report on nitrile-based molecular coverage on surface of cathode active materials to block or suppress thermally accelerated side reactions between electrode and electrolyte. Two different series of aliphatic nitriles were introduced as an additive into a carbonate-based electrolyte: di-nitriles (CN-[CH2]n-CN with n = 2, 5, and 10) and mono-nitriles (CH3-[CH2]m-CN with m = 2, 5, and 10). On the basis of the strong interaction between the electronegativity of nitrile functional groups and the electropositivity of cobalt in LiCoO2 cathode, aliphatic mono- and di-nitrile molecules improved the thermal stability of lithium ion cells by efficiently protecting the surface of LiCoO2. Three factors, the surface coverage θ, the steric hindrance of aliphatic moiety within nitrile molecule, and the chain polarity, mainly affect thermal tolerance as well as cell performances at elevated temperature.

  2. Improved Efficiency of Molecular-Gel Formation by Adjusting Preorganization of Amino-Acid-Derived Flexible Molecules: A NMR and Thermodynamic study.

    Science.gov (United States)

    Angulo-Pachón, César A; Gascó-Catalán, Carolina; Ojeda-Flores, Juan J; Miravet, Juan F

    2016-07-04

    The efficiency of the formation of molecular gels of simple derivatives of l-valine and l-isoleucine is greatly improved in different organic solvents when a hexyl fragment is replaced by a bulkier cyclohexyl one. A study using NMR and IR spectroscopy provides information on the preferred conformations of the molecules, indicating that the cyclohexyl moiety precludes intramolecular H bonding and preorganises the system for intermolecular interactions, which are responsible for fiber formation. NMR data of the gels provides thermodynamic data on fibrillization, revealing that the origin of this effect is mainly entropic. Electron microscopy (SEM and TEM) images show fibrillar and tape-like objects, which are observed commonly in molecular gels. Rheological measurements reveal significant differences between cyclohexyl and hexyl appended gelators. These findings could contribute to the rational design of small, flexible, building blocks for self-assembly.

  3. Metal-free phthalocyanine (H2Pc molecule adsorbed on the Au(111 surface: formation of a wide domain along a single lattice direction

    Directory of Open Access Journals (Sweden)

    Tadahiro Komeda, Hironari Isshiki and Jie Liu

    2010-01-01

    Full Text Available Using low-temperature scanning tunneling microscopy (STM, we observed the bonding configuration of the metal-free phthalocyanine (H2Pc molecule adsorbed on the Au(111 surface. A local lattice formation started from a quasi-square lattice aligned to the close-packed directions of the Au(111 surface. Although we expected the lattice alignment to be equally distributed along the three crystallographically equivalent directions, the domain aligned normal to the ridge of the herringbone structure was missing in the STM images. We attribute this effect to the uniaxial contraction of the reconstructed Au(111 surface that can account for the formation of a large lattice domain along a single crystallographical direction.

  4. Frenkel defect formation and intersystem crossing at highly-excited states of the triplet self-trapped exciton in NaCl. [Photon excitation

    Energy Technology Data Exchange (ETDEWEB)

    Soda, Kazuo; Itoh, Noriaki (Nagoya Univ. (Japan). Faculty of Engineering)

    1981-12-01

    Measurements were made of the absorption change at the F band and of the singlet luminescence in NaCl, induced by photoexcitation of the lowest state of the triplet self-trapped excitons into excited states higher than the lowest state by 1.7 eV -- 2.8 eV. It is found that excitation with photons below 2.5 eV causes both the F-center creation and the sigma-luminescence, while excitation with photons above 2.5 eV causes only the sigma-luminescence. These results indicate that non-radiative transition from the higher excited states to the lowest state of the self-trapped exciton is selective. The cause of the selectiveness is discussed. The yield of the F center creation at the higher excited state of the self-trapped exciton was found to be about 10/sup -2/. The stability of the created F centers in NaCl is found to be lower than in other alkali chlorides.

  5. Annual Trapping Proposal 1985

    Data.gov (United States)

    US Fish and Wildlife Service, Department of the Interior — This Annual Trapping Plan for the 1984-1985 trapping season at Clarence Cannon NWR outlines rules and regulations for the trapping of beaver and muskrat on the...

  6. Ultracold Molecules: Physics in the Quantum Regime

    Energy Technology Data Exchange (ETDEWEB)

    Doyle, John [Harvard Univ., Cambridge, MA (United States). Dept. of Physics

    2014-11-17

    Our research encompasses approaches to the trapping of diatomic molecules at low temperature plus the cooling and detection of polyatomic molecules in the kelvin temperature regime. We have cooled and trapped CaF and/or CaH molecules, loaded directly from a molecular beam. As part of this work, we are continuing to develop an important trapping technique, optical loading from a buffer-gas beam. This method was invented in our lab. We are also studying cold polyatomic molecules and their interactions with cold atoms.

  7. A New Atom Trap The Annular Shell Atom Trap (ASAT)

    CERN Document Server

    Pilloff, H S; Pilloff, Herschel S.; Horbatsch, Marko

    2002-01-01

    In the course of exploring some aspects of atom guiding in a hollow, optical fiber, a small negative potential energy well was found just in front of the repulsive or guiding barrier. This results from the optical dipole and the van der Waals potentials. The ground state for atoms bound in this negative potential well was determined by numerically solving the Schrodinger eq. and it was found that this negative well could serve as an atom trap. This trap is referred to as the Annular Shell Atom Trap or ASAT because of the geometry of the trapped atoms which are located in the locus of points defining a very thin annular shell just in front of the guiding barrier. A unique feature of the ASAT is the compression of the atoms from the entire volume to the volume of the annular shell resulting in a very high density of atoms in this trap. This trap may have applications to very low temperatures using evaporative cooling and possibly the formation of BEC. Finally, a scheme is discussed for taking advantage of the d...

  8. From indole to pyrrole, furan, thiophene and pyridine: Search for novel small molecule inhibitors of bacterial transcription initiation complex formation.

    Science.gov (United States)

    Thach, Oscar; Mielczarek, Marcin; Ma, Cong; Kutty, Samuel K; Yang, Xiao; Black, David StC; Griffith, Renate; Lewis, Peter J; Kumar, Naresh

    2016-03-15

    The search for small molecules capable of inhibiting transcription initiation in bacteria has resulted in the synthesis of N,N'-disubstituted hydrazines and imine-carbohydrazides comprised of indole, pyridine, pyrrole, furan and thiophene using the respective trichloroacetyl derivatives, carbohydrazides and aldehydes. Replacement of the indole moiety by smaller heterocycles linked by CONHNC linkers afforded a broad variety of compounds efficiently targeting the RNA polymerase-σ(70)/σ(A) interaction as determined by ELISA and exhibiting increased inhibition of the growth of Escherichia coli compared to Bacillus subtilis in culture. The structural features of the synthesized transcription initiation inhibitors needed for antibacterial activity were identified employing molecular modelling and structure-activity relationship (SAR) studies.

  9. Theoretical Investigations Regarding Single Molecules

    DEFF Research Database (Denmark)

    Pedersen, Kim Georg Lind

    Neoclassical Valence Bond Theory, Quantum Transport, Quantum Interference, Kondo Effect, and Electron Pumping. Trap a single organic molecule between two electrodes and apply a bias voltage across this "molecular junction". When electrons pass through the molecule, the different electron paths can...

  10. Asymptotic behavior of subradiant states in homonuclear diatomic molecules

    CERN Document Server

    McGuyer, Bart H; Iwata, Geoffrey Z; Tarallo, Marco G; Skomorowski, Wojciech; Moszynski, Robert; Zelevinsky, Tanya

    2014-01-01

    Weakly bound molecules have physical properties without atomic analogues, even as the bond length approaches dissociation. In particular, the internal symmetries of homonuclear diatomic molecules result in the formation of two-body superradiant and subradiant excited states. While superradiance has been demonstrated in a variety of systems, subradiance is more elusive due to the inherently weak interaction with the environment. Transition mechanisms that are strictly forbidden for atoms become allowed just below the dissociation asymptote due to new selection rules associated with the subradiant states. Here we directly probe deeply subradiant states in ultracold diatomic strontium molecules and characterize their properties near the intercombination atomic asymptote via optical spectroscopy of doubly-forbidden transitions with intrinsic quality factors exceeding 10^(13). This precision measurement of subradiance is made possible by tightly trapping the molecules in a state-insensitive optical lattice and ach...

  11. Excitation of water molecules by electron impact with formation of OH-radicals in the A{sup 2}{Sigma}{sup +} state

    Energy Technology Data Exchange (ETDEWEB)

    Khodorkovskii, M A; Murashov, S V [Saint-Petersburg State Polytechnic University, 195251, Saint-Petersburg (Russian Federation); Artamonova, T O; Rakcheeva, L P; Beliaeva, A A; Shakhmin, A L [Russian Scientific Center ' Applied Chemistry' , 197198, Saint-Petersburg (Russian Federation); Michael, D [General Electric Global Research Center, Niskayuna, NY 12309 (United States); Timofeev, N A; Mel' nikov, A S; Shevkunov, I A [Saint-Petersburg State University, 198904, Petrodvorets (Russian Federation); Zissis, G, E-mail: mkhodorkovskii@rscac.spb.r [Universite Touluse 3-Paul Sabatier, LAPLASE Building 3R2, 118rte de Narbonne, F-31062 Touluse Cedex 9 (France)

    2009-11-14

    The excitation cross-sections of the OH-radical band A{sup 2}{Sigma}{sup +} -> X{sup 2} (v' = 0 -> v'' = 0, v' = 1 -> v'' = 1) were measured. OH-radicals were formed during dissociation of water molecules by electron impact in the conditions of crossing of supersonic molecular and electron beams in the energy range 10-120 eV. Measurements were conducted at temperatures of 50, 80 and 200 K. It was shown that the excitation function had a sharp maximum in the region of low energies (at 16 eV) and an extended plateau up to 120 eV. It is proved that there are two channels of molecule dissociation with formation OH (A{sup 2}{Sigma}{sup +}) through excitation of either the triplet b{sup 3}A{sub 1} or the singlet B{sup 1}A{sub 1} states of H{sub 2}O molecules. The form of the excitation function essentially depends on the temperature of water vapours in the beam. With the decrease of the water molecule temperature the height of the plateau in the region 30-120 eV decreases in comparison with that of the peak at 16 eV. The absolute value of the excitation cross-section of the OH band at the temperature 50 K has been measured. It is equal to (1.6 +- 0.5) x 10{sup -18} cm{sup 2} in the maximum at 16 eV. The ratio of cross-sections of bands 1-1 and 0-0 weakly depends on the energy of the exciting electron in the range 12-120 eV and is equal to 0.28 +- 0.05. The appearance threshold is equal to (9.1 +- 0.5) eV.

  12. Effects of biological molecules on calcium mineral formation associated with wastewater desalination as assessed using small-angle neutron scattering.

    Science.gov (United States)

    Pipich, Vitaliy; Dahdal, Yara; Rapaport, Hanna; Kasher, Roni; Oren, Yoram; Schwahn, Dietmar

    2013-06-25

    Calcium phosphate scale formation on reverse osmosis (RO) membranes is one of the main limitations on cost-effective desalination of domestic wastewater worldwide. It has been shown that organic agents affect mineralization. In this study, we explored mineralization in the presence of two biofilm-relevant organic compounds, the proteins bovine serum albumin (BSA) and lysozyme, in a simulated secondary effluent (SSE) solution using small-angle neutron scattering (SANS), and applied the results to analyses of mineral precipitation in RO desalination of secondary effluents of wastewater. The two proteins are prominent members of bacterial extracellular polymeric substances (EPSs), forming biofilms that are frequently associated with RO-membrane fouling during wastewater desalination. Laboratory experiments showed that both proteins in SSE solution are involved in complex mineralization processes. Only small portions of both protein fractions are involved in mineralization processes, whereas most of the protein fractions remain as monomers in solution. Contrast variation showed that composite particles of mineral and protein are formed instantaneously to a radius of gyration of about 300 Å, coexisting with particles of about μm size. After about one day, these large particles start to grow again at the expense of the 300 Å particles. The volume fraction of the 300 Å particles is of the order of 2 × 10(-4), which is too large to represent calcium phosphate such as hydroxyapatite as the only mineral present. Considering the data of mineral volume fraction obtained here as well as the solubility product of possible mineral polymorphs in the SSE solution, we suggest the formation of protein-mineral particles of hydroxyapatite and calcium carbonate during scale formation.

  13. Formation of Native and Non-native Interactions in Ensembles of Denatured ACBP Molecules from Paramagnetic Relaxation Enhancement Studies

    DEFF Research Database (Denmark)

    Kristjansdottir, S.; Lindorff-Larsen, Kresten; Fieber, W.;

    2005-01-01

    in the denatured states with those in the transition state for folding we also provided new insights into the mechanism of formation of the native state of this protein. Keywords: protein folding; denatured state; NMR; molecular dynamics; structural studies Abbreviations: ACBP, acyl coenzyme A binding protein; Gu...... of the residual structure in the denatured state of ACBP under these different conditions has enabled us to infer that regions in the N and C-terminal parts of the protein sequence have a high tendency to interact in the unfolded state under physiological conditions. By comparing the structural features...

  14. The OPEP protein model: from single molecules, amyloid formation, crowding and hydrodynamics to DNA/RNA systems.

    Science.gov (United States)

    Sterpone, Fabio; Melchionna, Simone; Tuffery, Pierre; Pasquali, Samuela; Mousseau, Normand; Cragnolini, Tristan; Chebaro, Yassmine; St-Pierre, Jean-Francois; Kalimeri, Maria; Barducci, Alessandro; Laurin, Yoann; Tek, Alex; Baaden, Marc; Nguyen, Phuong Hoang; Derreumaux, Philippe

    2014-07-07

    The OPEP coarse-grained protein model has been applied to a wide range of applications since its first release 15 years ago. The model, which combines energetic and structural accuracy and chemical specificity, allows the study of single protein properties, DNA-RNA complexes, amyloid fibril formation and protein suspensions in a crowded environment. Here we first review the current state of the model and the most exciting applications using advanced conformational sampling methods. We then present the current limitations and a perspective on the ongoing developments.

  15. TLR accessory molecule RP105 (CD180 is involved in post-interventional vascular remodeling and soluble RP105 modulates neointima formation.

    Directory of Open Access Journals (Sweden)

    Jacco C Karper

    Full Text Available BACKGROUND: RP105 (CD180 is TLR4 homologue lacking the intracellular TLR4 signaling domain and acts a TLR accessory molecule and physiological inhibitor of TLR4-signaling. The role of RP105 in vascular remodeling, in particular post-interventional remodeling is unknown. METHODS AND RESULTS: TLR4 and RP105 are expressed on vascular smooth muscle cells (VSMC as well as in the media of murine femoral artery segments as detected by qPCR and immunohistochemistry. Furthermore, the response to the TLR4 ligand LPS was stronger in VSMC from RP105(-/- mice resulting in a higher proliferation rate. In RP105(-/- mice femoral artery cuff placement resulted in an increase in neointima formation as compared to WT mice (4982 ± 974 µm(2 vs.1947 ± 278 µm(2,p = 0.0014. Local LPS application augmented neointima formation in both groups, but in RP105(-/- mice this effect was more pronounced (10316±1243 µm(2 vs.4208 ± 555 µm(2,p = 0.0002, suggesting a functional role for RP105. For additional functional studies, the extracellular domain of murine RP105 was expressed with or without its adaptor protein MD1 and purified. SEC-MALSanalysis showed a functional 2∶2 homodimer formation of the RP105-MD1 complex. This protein complex was able to block the TLR4 response in whole blood ex-vivo. In vivo gene transfer of plasmid vectors encoding the extracellular part of RP105 and its adaptor protein MD1 were performed to initiate a stable endogenous soluble protein production. Expression of soluble RP105-MD1 resulted in a significant reduction in neointima formation in hypercholesterolemic mice (2500 ± 573 vs.6581 ± 1894 µm(2,p<0.05, whereas expression of the single factors RP105 or MD1 had no effect. CONCLUSION: RP105 is a potent inhibitor of post-interventional neointima formation.

  16. Two-dimensional patterning by a trapping/depletion mechanism: the role of TTG1 and GL3 in Arabidopsis trichome formation.

    Directory of Open Access Journals (Sweden)

    Daniel Bouyer

    2008-06-01

    Full Text Available Trichome patterning in Arabidopsis serves as a model system to study how single cells are selected within a field of initially equivalent cells. Current models explain this pattern by an activator-inhibitor feedback loop. Here, we report that also a newly discovered mechanism is involved by which patterning is governed by the removal of the trichome-promoting factor TRANSPARENT TESTA GLABRA1 (TTG1 from non-trichome cells. We demonstrate by clonal analysis and misexpression studies that Arabidopsis TTG1 can act non-cell-autonomously and by microinjection experiments that TTG1 protein moves between cells. While TTG1 is expressed ubiquitously, TTG1-YFP protein accumulates in trichomes and is depleted in the surrounding cells. TTG1-YFP depletion depends on GLABRA3 (GL3, suggesting that the depletion is governed by a trapping mechanism. To study the potential of the observed trapping/depletion mechanism, we formulated a mathematical model enabling us to evaluate the relevance of each parameter and to identify parameters explaining the paradoxical genetic finding that strong ttg1 alleles are glabrous, while weak alleles exhibit trichome clusters.

  17. Theoretical Investigations Regarding Single Molecules

    DEFF Research Database (Denmark)

    Pedersen, Kim Georg Lind

    Neoclassical Valence Bond Theory, Quantum Transport, Quantum Interference, Kondo Effect, and Electron Pumping. Trap a single organic molecule between two electrodes and apply a bias voltage across this "molecular junction". When electrons pass through the molecule, the different electron paths can...... interfere destructively or constructively. Destructive interference effects in electron transport could potentially improve thermo-electrics, organic logic circuits and energy harvesting. We have investigated destructive interference in off-resonant transport through organic molecules, and have found a set...

  18. The Small Molecule Hyperphyllin Enhances Leaf Formation Rate and Mimics Shoot Meristem Integrity Defects Associated with AMP1 Deficiency.

    Science.gov (United States)

    Poretska, Olena; Yang, Saiqi; Pitorre, Delphine; Rozhon, Wilfried; Zwerger, Karin; Uribe, Marcos Castellanos; May, Sean; McCourt, Peter; Poppenberger, Brigitte; Sieberer, Tobias

    2016-06-01

    ALTERED MERISTEM PROGRAM1 (AMP1) is a member of the M28 family of carboxypeptidases with a pivotal role in plant development and stress adaptation. Its most prominent mutant defect is a unique hypertrophic shoot phenotype combining a strongly increased organ formation rate with enhanced meristem size and the formation of ectopic meristem poles. However, so far the role of AMP1 in shoot development could not be assigned to a specific molecular pathway nor is its biochemical function resolved. In this work we evaluated the level of functional conservation between AMP1 and its human homolog HsGCPII, a tumor marker of medical interest. We show that HsGCPII cannot substitute AMP1 in planta and that an HsGCPII-specific inhibitor does not evoke amp1-specific phenotypes. We used a chemical genetic approach to identify the drug hyperphyllin (HP), which specifically mimics the shoot defects of amp1, including plastochron reduction and enlargement and multiplication of the shoot meristem. We assessed the structural requirements of HP activity and excluded that it is a cytokinin analog. HP-treated wild-type plants showed amp1-related tissue-specific changes of various marker genes and a significant transcriptomic overlap with the mutant. HP was ineffective in amp1 and elevated the protein levels of PHAVOLUTA, consistent with the postulated role of AMP1 in miRNA-controlled translation, further supporting an AMP1-related mode of action. Our work suggests that plant and animal members of the M28 family of proteases adopted unrelated functions. With HP we provide a tool to characterize the plant-specific functions of this important class of proteins. © 2016 American Society of Plant Biologists. All Rights Reserved.

  19. Conformation-related exciton localization and charge-pair formation in polythiophenes: ensemble and single-molecule study.

    Science.gov (United States)

    Sugimoto, Toshikazu; Habuchi, Satoshi; Ogino, Kenji; Vacha, Martin

    2009-09-10

    We study conformation-dependent photophysical properties of polythiophene (PT) by molecular dynamics simulations and by ensemble and single-molecule optical experiments. We use a graft copolymer consisting of a polythiophene backbone and long polystyrene branches and compare its properties with those obtained on the same polythiophene derivative without the side chains. Coarse-grain molecular dynamics simulations show that in a poor solvent, the PT without the side chains (PT-R) forms a globulelike conformation in which distances between any two conjugated segments on the chain are within the Forster radius for efficient energy transfer. In the PT with the polystyrene branches (PT-PS), the polymer main PT chain retains an extended coillike conformation, even in a poor solvent, and the calculated distances between conjugated segments favor energy transfer only between a few neighboring chromophores. The theoretical predictions are confirmed by measurements of fluorescence anisotropy and fluorescence blinking of the polymers' single chains. High anisotropy ratios and two-state blinking in PT-R are due to localization of the exciton on a single conjugated segment. These signatures of exciton localization are absent in single chains of PT-PS. Electric-field-induced quenching measured as a function of concentration of PT dispersed in an inert matrix showed that in well-isolated chains of PT-PS, the exciton dissociation is an intrachain process and that aggregation of the PT-R chains causes an increase in quenching due to the onset of interchain interactions. Measurements of the field-induced quenching on single chains indicate that in PT-R, the exciton dissociation is a slower process that takes place only after the exciton is localized on one conjugated segment.

  20. Shrew trap efficiency

    DEFF Research Database (Denmark)

    Gambalemoke, Mbalitini; Mukinzi, Itoka; Amundala, Drazo

    2008-01-01

    We investigated the efficiency of four trap types (pitfall, Sherman LFA, Victor snap and Museum Special snap traps) to capture shrews. This experiment was conducted in five inter-riverine forest blocks in the region of Kisangani. The total trapping effort was 6,300, 9,240, 5,280 and 5,460 trap-ni...

  1. Adaptive reorganization of 2D molecular nanoporous network induced by coadsorbed guest molecule.

    Science.gov (United States)

    Zheng, Qing-Na; Wang, Lei; Zhong, Yu-Wu; Liu, Xuan-He; Chen, Ting; Yan, Hui-Juan; Wang, Dong; Yao, Jian-Nian; Wan, Li-Jun

    2014-03-25

    The ordered array of nanovoids in nanoporous networks, such as honeycomb, Kagome, and square, provides a molecular template for the accommodation of "guest molecules". Compared with the commonly studied guest molecules featuring high symmetry evenly incorporated into the template, guest molecules featuring lower symmetry are rare to report. Herein, we report the formation of a distinct patterned superlattice of guest molecules by selective trapping of guest molecules into the honeycomb network of trimesic acid (TMA). Two distinct surface patterns have been achieved by the guest inclusion induced adaptive reconstruction of a 2D molecular nanoporous network. The honeycomb networks can synergetically tune the arrangement upon inclusion of the guest molecules with different core size but similar peripherals groups, resulting in a trihexagonal Kagome or triangular patterns.

  2. Proposed formation mechanism and active species of hydrogen molecules generated from a novel magnesium-citric acid-hydroxypropyl cellulose coating (MgCC) material

    Science.gov (United States)

    Kobayashi, Shigeki; Chikuma, Toshiyuki; Chiba, Kazuyoshi; Tsuchiya, Daisuke; Hirai, Tomomitsu

    2016-02-01

    The presence of acids is known to accelerate the reaction (Mg + 2H2O = Mg(OH)2 + H2). We developed a novel Mg-citric acid coating (MgCC) material produced by milling Mg powder coated with hydroxypropyl cellulose (HPC); because of its H2 generation, this material could be used in antioxidant therapy and antiaging applications. After milling in the presence of citric acid, this material produced H2-rich water upon addition to cooled water. Although the reaction was considered to involve a two-electron transfer from Mg to 2H2O, the role of the acid in H2 generation remains incompletely understood. To clarify the reaction mechanism, we performed studies on the deuterium kinetic isotope effects (KIE) and electron spin resonance (ESR). We observed differences in the concentration ratios, such as H2/D2 > 1 and H2/(H2 + D2 + HD) > 1, involved in H2, D2, and (H2 + D2 + HD) production, and found that adducts with hydrogen atoms (Hrad) were not obtained from the spin-trapping reaction between 5-(2, 2-Dimethyl-1,3-propoxy cyclophosphoryl)-5-methyl-1-pyrroline N-oxide (CYPMPO) and the MgCC material. The H2, D2, and HD produced from MgCC were identified by using a gas chromatograph connected to a mass spectrometer. The spin-trapping techniques showed that the Hrad adducts formed by the reaction of NaBH4 with CYPMPO could not be observed from reaction of MGCC with CYPMPO in H2O. The data suggest that the rate-controlling step and proposed transition state (TS) exist in the reaction pathway of the O-H bond cleavage and H-H bond formation. A TS of a structure such as [Mg(OH2)2]∗ could be expected in the reaction pathway between Mg and 2H2O by density functional theory calculations. Also, these results show that H2 generation is accelerated in the presence of acids because the activation energy of the TS is significantly smaller than that of H2O.

  3. Experimental and Theoretical Study of the Enthalpy of Formation of 3,6-Diphenyl-1,2,4,5-Tetroxane Molecule

    Directory of Open Access Journals (Sweden)

    N.L. Jorge

    2002-01-01

    Full Text Available We report the results obtained for the experimental determination and the theoretical calculation of the enthalpy of formation of 3,6-diphenyl-1,2,4,5-tetroxane molecule. The experimental work was performed using a macrocalorimeter to measure the combustion heat, and the sublimation enthalpy was determined via the measurement of the vapor pressure at equilibrium with the vapor phase at different temperatures resorting to the Clapeyron-Claussius equation. Theoretical calculations were performed using semiempirical AM1 and PM3 methods as well as ab initio techniques at the 3-21, 6-31G(d,p, and 6-311G(d,p basis set levels.

  4. Quantitative study of formation of free I2 molecules in gamma-irradiated microcrystalline powders of pure and doped potassium iodide

    Science.gov (United States)

    Shirke, A. K.; Band, A. M.; Pode, R. B.; Deshmukh, B. T.

    1993-11-01

    Photodecomposition of pure and doped KI powders [KI:Cs, KI:Rb, KI:Na, KI:CI, KI:Br, KI:RbCl, KI:RbBr, KI:NaCl, impurity concentration 500 p.p.m.] to produce free I2 molecules during gamma irradiation is studied quantitatively by finding G values with the help of absorption measurements and calibration plots. Absorption measurements are made on solutions of irradiated powders after being dissolved in distilled water. G-value or Radiation chemical yield is the fundamental quantitative characteristic of radiation induced chemical change and it is defined as number of ions, free radicals, atoms or molecules formed or destroyed when the system has absorbed 100 eV of energy. G(I2) {Rate of formation of free I2 molecules} for anion doped KI powder [KI:CI, KI:Br] is more compared to pure KI powder. G(I2) for cation doped KI powder [KI:Rb, KI:Cs, KI:Na] is less compared to pure KI powder. Comparatively, G(I2) values obtained are small in KI:RbCl, KI:RbBr and KI:NaCl where both cation and anion are different from the host. These results are explained on the basis of misfit between impurity ions and host ions (difference between ionic radii of impurity ions and host ions). As misfit increases, G(I2) increases in cation doped powders where as in anion doped powders, G(I2) increases with the decrease in misfit.

  5. Dimethylamine Addition to Formaldehyde Catalyzed by a Single Water Molecule: A Facile Route for Atmospheric Carbinolamine Formation and Potential Promoter of Aerosol Growth.

    Science.gov (United States)

    Louie, Matthew K; Francisco, Joseph S; Verdicchio, Marco; Klippenstein, Stephen J; Sinha, Amitabha

    2016-03-10

    We use ab initio calculations to investigate the energetics and kinetics associated with carbinolamine formation resulting from the addition of dimethylamine to formaldehyde catalyzed by a single water molecule. Further, we compare the energetics for this reaction with that for the analogous reactions involving methylamine and ammonia separately. We find that the reaction barrier for the addition of these nitrogen-containing molecules onto formaldehyde decreases along the series ammonia, methylamine, and dimethylamine. Hence, starting with ammonia, the reaction barrier can be "tuned" by the substitution of an alkyl group in place of a hydrogen atom. The reaction involving dimethylamine has the lowest barrier with the transition state being 5.4 kcal/mol below the (CH3)2NH + H2CO + H2O separated reactants. This activation energy is significantly lower than that for the bare reaction occurring without water, H2CO + (CH3)2NH, which has a barrier of 20.1 kcal/mol. The negative barrier associated with the single-water molecule catalyzed reaction of dimethylamine with H2CO to form the carbinolamine (CH3)2NCH2OH suggests that this reaction should be energetically feasible under atmospheric conditions. This is confirmed by rate calculations which suggest that the reaction will be facile even in the gas phase. As amines and oxidized organics containing carbonyl functional groups are common components of secondary organic aerosols, the present finding has important implications for understanding how larger, less volatile organic compounds can be generated in the atmosphere by combining readily available smaller components as required for promoting aerosol growth.

  6. Magnetic Trapping of Cold Methyl Radicals

    CERN Document Server

    Liu, Yang; Djuricanin, Pavle; Zhou, Sida; Zhong, Wei; Mittertreiner, Tony; Carty, David; Momose, Takamasa

    2016-01-01

    We have demonstrated that a supersonic beam of methyl radicals (CH3) in the ground rotational state of both para and ortho species has been slowed down to a standstill with a magnetic molecular decelerator, and successfully captured spatially in an anti-Helmholtz magnetic trap for > 1 s. The translational temperature of the trapped CH3 radicals was about 200 mK. The methyl radical is a non-polar polyatomic molecule, which is predicted to be an ideal system for further cooling below 1 mK via sympathetic cooling with ultracold atoms. In addition, it is a highly reactive intermediate that plays an important role in various processes in cold environments such as planetary atmospheres and the interstellar medium. The demonstrated trapping capability of methyl radicals opens up various possibilities for realizing ultracold ensembles of molecules towards Bose-Einstein condensation of polyatomic molecules and investigations of reactions governed by quantum statistics.

  7. Magnetic Trapping of Cold Methyl Radicals

    Science.gov (United States)

    Liu, Yang; Vashishta, Manish; Djuricanin, Pavle; Zhou, Sida; Zhong, Wei; Mittertreiner, Tony; Carty, David; Momose, Takamasa

    2017-03-01

    We have demonstrated that a supersonic beam of methyl radicals (CH3 ) in the ground rotational state of both para and ortho species has been slowed down to standstill with a magnetic molecular decelerator, and successfully captured spatially in an anti-Helmholtz magnetic trap for >1 s . The trapped CH3 radicals have a mean translational temperature of about 200 mK with an estimated density of >5.0 ×1 07 cm-3 . The methyl radical is an ideal system for the study of cold molecules not only because of its high reactivities at low temperatures, but also because further cooling below 1 mK is plausible via sympathetic cooling with ultracold atoms. The demonstrated trapping capability of methyl radicals opens up various possibilities for realizing ultracold ensembles of molecules towards Bose-Einstein condensation of polyatomic molecules and investigations of reactions governed by quantum statistics.

  8. Scorpionate-type coordination in MFU-4l metal-organic frameworks: small-molecule binding and activation upon the thermally activated formation of open metal sites.

    Science.gov (United States)

    Denysenko, Dmytro; Grzywa, Maciej; Jelic, Jelena; Reuter, Karsten; Volkmer, Dirk

    2014-06-01

    Postsynthetic metal and ligand exchange is a versatile approach towards functionalized MFU-4l frameworks. Upon thermal treatment of MFU-4l formates, coordinatively strongly unsaturated metal centers, such as zinc(II) hydride or copper(I) species, are generated selectively. Cu(I)-MFU-4l prepared in this way was stable under ambient conditions and showed fully reversible chemisorption of small molecules, such as O2, N2, and H2, with corresponding isosteric heats of adsorption of 53, 42, and 32 kJ mol(-1), respectively, as determined by gas-sorption measurements and confirmed by DFT calculations. Moreover, Cu(I)-MFU-4l formed stable complexes with C2H4 and CO. These complexes were characterized by FTIR spectroscopy. The demonstrated hydride transfer to electrophiles and strong binding of small gas molecules suggests these novel, yet robust, metal-organic frameworks with open metal sites as promising catalytic materials comprising earth-abundant metal elements.

  9. From Molecules to Surfaces: Radical-Based Mechanisms of Si-S and Si-Se Bond Formation on Silicon.

    Science.gov (United States)

    Buriak, Jillian M; Sikder, Md Delwar H

    2015-08-05

    The derivatization of silicon surfaces can have profound effects on the underlying electronic properties of the semiconductor. In this work, we investigate the radical surface chemistry of silicon with a range of organochalcogenide reagents (comprising S and Se) on a hydride-terminated silicon surface, to cleanly and efficiently produce surface Si-S and Si-Se bonds, at ambient temperature. Using a diazonium-based radical initiator, which induces formation of surface silicon radicals, a group of organochalcogenides were screened for reactivity at room temperature, including di-n-butyl disulfide, diphenyl disulfide, diphenyl diselenide, di-n-butyl sulfide, diphenyl selenide, diphenyl sulfide, 1-octadecanethiol, t-butyl disulfide, and t-butylthiol, which comprises the disulfide, diselenide, thiol, and thioether functionalities. The surface reactions were monitored by transmission mode Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy, and time-of-flight secondary ionization mass spectrometry. Calculation of Si-Hx consumption, a semiquantitative measure of yield of production of surface-bound Si-E bonds (E = S, Se), was carried out via FTIR spectroscopy. Control experiments, sans the BBD diazonium radical initiator, were all negative for any evident incorporation, as determined by FTIR spectroscopy. The functional groups that did react with surface silicon radicals included the dialkyl/diphenyl disulfides, diphenyl diselenide, and 1-octadecanethiol, but not t-butylthiol, diphenyl sulfide/selenide, and di-n-butyl sulfide. Through a comparison with the rich body of literature regarding molecular radicals, and in particular, silyl radicals, reaction mechanisms were proposed for each. Armed with an understanding of the reaction mechanisms, much of the known chemistry within the extensive body of radical-based reactivity has the potential to be harnessed on silicon and could be extended to a range of technologically relevant semiconductor

  10. A phenotypic screen in zebrafish identifies a novel small-molecule inducer of ectopic tail formation suggestive of alterations in non-canonical Wnt/PCP signaling.

    Directory of Open Access Journals (Sweden)

    Evelien Gebruers

    Full Text Available Zebrafish have recently emerged as an attractive model for the in vivo bioassay-guided isolation and characterization of pharmacologically active small molecules of natural origin. We carried out a zebrafish-based phenotypic screen of over 3000 plant-derived secondary metabolite extracts with the goal of identifying novel small-molecule modulators of the BMP and Wnt signaling pathways. One of the bioactive plant extracts identified in this screen - Jasminum gilgianum, an Oleaceae species native to Papua New Guinea - induced ectopic tails during zebrafish embryonic development. As ectopic tail formation occurs when BMP or non-canonical Wnt signaling is inhibited during the tail protrusion process, we suspected a constituent of this extract to act as a modulator of these pathways. A bioassay-guided isolation was carried out on the basis of this zebrafish phenotype, identifying para-coumaric acid methyl ester (pCAME as the active compound. We then performed an in-depth phenotypic analysis of pCAME-treated zebrafish embryos, including a tissue-specific marker analysis of the secondary tails. We found pCAME to synergize with the BMP-inhibitors dorsomorphin and LDN-193189 in inducing ectopic tails, and causing convergence-extension defects in compound-treated embryos. These results indicate that pCAME may interfere with non-canonical Wnt signaling. Inhibition of Jnk, a downstream target of Wnt/PCP signaling (via morpholino antisense knockdown and pharmacological inhibition with the kinase inhibitor SP600125 phenocopied pCAME-treated embryos. However, immunoblotting experiments revealed pCAME to not directly inhibit Jnk-mediated phosphorylation of c-Jun, suggesting additional targets of SP600125, and/or other pathways, as possibly being involved in the ectopic tail formation activity of pCAME. Further investigation of pCAME's mechanism of action will help determine this compound's pharmacological utility.

  11. Chemical evolution of life-like system under hydrothermal environments: prebiotic formation, degradation, and functions regarding protein-like molecules and RNA

    Science.gov (United States)

    Kawamura, Kunio

    The accumulation of biopolymers without enzymes is an essential step for the chemical evolu-tion towards a primitive life-like system. Previously, we discussed the relationship between the RNA world hypothesis and the hydrothermal origin of life hypothesis on the basis of the em-pirical data of RNA behaviors under the hydrothermal environments examined using real-time monitoring technique for hydrothermal reactions within the millisecond to second time scale. On the other hand, we have also examined the stabilities and behaviors of amino acids, pep-tides, and proteins under the hydrothermal environments. These observations have shown the possibility that oligopeptides could have been accumulated under near submarine hydrother-mal vent environments on primitive Earth within the relatively short time scale. However, the formation of oligopeptides under the simulated hydrothermal conditions is not so effective in the absence of catalysts and condensation agents. Thus, the investigation of the roles of min-eral catalysis and condensation reagents are very important since these materials could have enhanced efficiently the formation of peptides and stabilize primitive protein-like molecules. Recently, we investigated the roles of condensation reagents for the elongation of oligopeptides in the presence of minerals. In addition, we have designed a mineral-mediated hydrothermal flow reactor system (MHFR), which enables monitoring hydrothermal reactions in the presence of solid particles. By using MHFR, we attempted to examine naturally occurring minerals, such as apatite and quartz, for the elongation of oligopeptides at temperatures over 200 o C within 10 -30 sec. According to these data, the chemical evolution of protein-like molecules on primitive Earth will be discussed.

  12. Crossed beam investigation of elementary reactions relevant to the formation of polycyclic aromatic hydrocarbon (PAH)-like molecules in extraterrestrial environments

    Science.gov (United States)

    Kaiser, R. I.; Asvany, O.; Lee, Y. T.

    2000-04-01

    The reactions of ground state carbon atoms, C( 3P j), with benzene, C 6H 6, and phenyl radicals, C 6H 5, with methylacetylene, CH 3CCH, were investigated in crossed beam experiments at collision energies of 21.8 and 140 kJ mol -1 to investigate elementary reactions relevant to the formation and chemistry of polycyclic aromatic hydrocarbons (PAHs) in extraterrestrial environments. The C( 3P j) reaction proceeds via complex formation and gives a cyclic, seven-membered C 7H 5 doublet radical plus atomic hydrogen. This pathway has neither an entrance nor exit barrier, and is exothermic. Together with the experimental verification of the carbon versus hydrogen exchange under single collision conditions, the findings have an important impact on the chemistry of aromatic molecules in interstellar clouds and outflow of carbon stars. Even in the coldest molecular clouds ( T=10 K), the benzene molecule can be destroyed upon reaction with carbon atoms, whereas they are resistant toward an attack of oxygen and nitrogen atoms. Since the aromatic benzene unit is ubiquitous in extraterrestrial, PAH-like material, our results suggest that PAHs might react with carbon atoms as well. On the other side, the reaction of C 6H 5 radicals with methylacetylene to form phenylmethylacetylene is direct. Since an entrance barrier inhibits the reaction in cold molecular clouds and in the atmospheres of hydrocarbon rich planets like Jupiter and Saturn and satellites such as Titan, this reaction is expected to play a role in PAH synthesis only in high temperature interstellar environments, such as circumstellar outflows of carbon stars.

  13. Formats

    Directory of Open Access Journals (Sweden)

    Gehmann, Ulrich

    2012-03-01

    Full Text Available In the following, a new conceptual framework for investigating nowadays’ “technical” phenomena shall be introduced, that of formats. The thesis is that processes of formatting account for our recent conditions of life, and will do so in the very next future. It are processes whose foundations have been laid in modernity and which will further unfold for the time being. These processes are embedded in the format of the value chain, a circumstance making them resilient to change. In addition, they are resilient in themselves since forming interconnected systems of reciprocal causal circuits.Which leads to an overall situation that our entire “Lebenswelt” became formatted to an extent we don’t fully realize, even influencing our very percep-tion of it.

  14. Formation of Ni Diffusion-Induced Surface Traps in GaN/Al x Ga1- x N/GaN Heterostructures on Silicon Substrate During Gate Metal Deposition

    Science.gov (United States)

    Kajen, R. S.; Bera, L. K.; Tan, H. R.; Dolmanan, S. B.; Cheong, Z. W.; Tripathy, S.

    2016-01-01

    The diffusion of the Schottky metal (Ni) in GaN is known to occur at elevated temperatures and as a result of prolonged electric field-driven stress. This leads to device degradation and reliability issues in Al x Ga1- x N/GaN-on-silicon high electron mobility transistors (HEMTs). In this study, we have investigated the formation of Ni-induced deep level traps across the Ni-GaN interface in Al x Ga1- x N/GaN HEMT-based Schottky diodes on Si substrates during the Schottky metal deposition process prior to any gate/Schottky metal annealing step. Two deep level traps were detected at 0.14 eV and 0.54 eV using Fourier deep level transient spectroscopy, which correlated well with nitrogen vacancies and nitrogen antisite defects, respectively. Our results are further supported by transmission electron microscopy-based energy dispersive x-ray analysis and electron energy loss spectroscopy measurements which confirm the interdiffusion of Ga and Ni across the Ni/GaN interface on the HEMT structure. Understanding the nature of such defects may help to employ suitable growth or passivation schemes for development of improved GaN-based electronic devices.

  15. Formation of nitrogen- and oxygen-bearing molecules from radiolysis of nitrous oxide ices - implications for Solar system and interstellar ices

    Science.gov (United States)

    de Barros, A. L. F.; da Silveira, E. F.; Fulvio, D.; Boduch, P.; Rothard, H.

    2017-03-01

    The radiolysis of pure N2O ice at 11 and 75 K by 90 MeV 136Xe23 + ion irradiation has been studied by Fourier-transformed infrared spectroscopy (FTIR). Six daughter molecular species have been observed: NO2, (NO)2, N2O3, N2O4, N2O5, and O3. The chemical evolution of the new molecules formed in the sample was followed by the measurement of the column densities of the precursor and products as a function of the beam fluence. This procedure allows the determination of their formation and dissociation cross-sections. Other processes monitored by FTIR were sublimation (non-existent at 11 K, but present at 75 K) and ice compaction by the ion beam. Comparison between results obtained for the 11 and 75 K ices shows that formation and destruction cross-sections are higher (for light products) or much higher (for heavy products) at 75 K. This enhancement of chemical activity at higher temperature should not be attributed to higher projectile ionization rate but rather to a higher mobility of the radiolysis products in an ice undergoing slow sublimation. Although N2O ice has not yet been observed in space, it is reasonable to expect its occurrence since N and O are very abundant and reactive. Furthermore, if this ice is actually absent, the knowledge of the chemical-physical processes induced by ion irradiation on N2O ice at low temperature is necessary to explain its depletion.

  16. Effects of Arg-Gly-Asp-modified elastin-like polypeptide on pseudoislet formation via up-regulation of cell adhesion molecules and extracellular matrix proteins.

    Science.gov (United States)

    Lee, Kyeong-Min; Jung, Gwon-Soo; Park, Jin-Kyu; Choi, Seong-Kyoon; Jeon, Won Bae

    2013-03-01

    Extracellular matrix (ECM) plays an important role in controlling the β-cell morphology, survival and insulin secretary functions. An RGD-modified elastin-like polypeptide (RGD-ELP), TGPG[VGRGD(VGVPG)(6)](20)WPC, has been reported previously as a bioactive matrix. In this study, to investigate whether RGD-ELP affects β-cell growth characteristics and insulin secretion, β-TC6 cells were cultured on the RGD-ELP coatings prepared via thermally induced phase transition. On RGD-ELP, β-TC6 cells clustered into an islet-like architecture with high cell viability. Throughout 7days' culture, the proliferation rate of the cells within a pseudoislet was similar to that of monolayer culture. Under high glucose (25mM), β-TC6 pseudoislets showed up-regulated insulin gene expression and exhibited glucose-stimulated insulin secretion. Importantly, the mRNA and protein abundances of cell adhesion molecules (CAM) E-cadherin and connexin-36 were much higher in pseudoislets than in monolayer cells. The siRNA-mediated inhibition of E-cadherin or connexin-36 expression severely limited pseudoislet formation. In addition, the mRNA levels of collagen types I and IV, fibronectin and laminin were significantly elevated in pseudoislets. The results suggest that RGD-ELP promotes pseudoislet formation via up-regulation of the CAM and ECM components. The functional roles of RGD-ELP are discussed in respect of its molecular composition.

  17. Experimental investigation on ionized ultracold molecules formed in a magneto-optical trap by time-of-flight mass spectroscopy%飞行时问质谱探测磁光阱中超冷分子离子的实验研究

    Institute of Scientific and Technical Information of China (English)

    元晋鹏; 姬中华; 杨艳; 张洪山; 赵延霆; 马杰; 汪丽蓉; 肖连团; 贾锁堂

    2012-01-01

    We use time-of-flight mass spectroscopy to detect the ultracold ground state Cs2 molecules formed directly by a photoassociation due to the trapping laser beams and repumping laser beam in a magneto-optical trap. We investigate the dependences of the Cs+ intensity on operating voltage of micro-channel-plate, accelerating field intensity and duration time of the accelerating field. The experimental results are consistent with theoretical fitting. We obtain the best optimal parameters suited to our experimental condition, which is important for the future experiment on ultracold molecule photoassociation and photoionization spectroscopy.%利用飞行时间质谱探测了由磁光阱中的俘获光和再泵浦光光缔合作用形成的超冷基态铯分子,研究了微通道板工作电压、加速电场强度和加速电场持续时间对铯分子离子信号强度的影响.实验结果与理论模型的拟合一致;获得了适合实验条件的最优化实验参数,为进一步研究超冷分子的光缔合光谱和光电离光谱奠定了实验基础.

  18. Initial Carbon-Carbon Bond Formation during the Early Stages of the Methanol-to-Olefin Process Proven by Zeolite-Trapped Acetate and Methyl Acetate

    NARCIS (Netherlands)

    Chowdhury, Abhishek Dutta|info:eu-repo/dai/nl/412438003; Houben, Klaartje|info:eu-repo/dai/nl/269224580; Whiting, Gareth T; Mokhtar, Mohamed; Asiri, Abdullah M; Al-Thabaiti, Shaeel A; Basahel, Suliman N; Baldus, Marc|info:eu-repo/dai/nl/314410864; Weckhuysen, Bert M|info:eu-repo/dai/nl/285484397

    2016-01-01

    Methanol-to-olefin (MTO) catalysis is a very active field of research because there is a wide variety of sometimes conflicting mechanistic proposals. An example is the ongoing discussion on the initial C-C bond formation from methanol during the induction period of the MTO process. By employing a

  19. Small Mammal Trapping 2003

    Data.gov (United States)

    US Fish and Wildlife Service, Department of the Interior — Small mammal traps were placed in the Baring division and in the Edmunds division of Moosehom National Wildlife Refuge. There were a total of 98 traps set for up to...

  20. St. Croix trap study

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — The data set contains detailed information about the catch from 600 trap stations around St. Croix. Data fields include species caught, size data, trap location...

  1. Density functional study of hydrogen bond formation between methanol and organic molecules containing Cl, F, NH2, OH, and COOH functional groups.

    Science.gov (United States)

    Kolev, Stefan K; St Petkov, Petko; Rangelov, Miroslav A; Vayssilov, Georgi N

    2011-12-08

    Various hydrogen-bonded complexes of methanol with different proton accepting and proton donating molecules containing Cl, F, NH(2), OH, OR, and COOH functional groups have been modeled using DFT with hybrid B3LYP and M05-2X functionals. The latter functional was found to provide more accurate estimates of the structural and thermodynamic parameters of the complexes of halides, amines, and alcohols. The characteristics of these complexes are influenced not only by the principle hydrogen bond of the methanol OH with the proton acceptor heteroatom, but also by additional hydrogen bonds of a C-H moiety with methanol oxygen as a proton acceptor. The contribution of the former hydrogen bond in the total binding enthalpy increases in the order chlorides contribution of the second type of hydrogen bond increases in the reverse order. A general correlation was found between the binding enthalpy of the complex and the electrostatic potential at the hydrogen center participating in the formation of the hydrogen bond. The calculated binding enthalpies of different complexes were used to clarify which functional groups can potentially form a hydrogen bond to the 2'-OH hydroxyl group in ribose, which is strong enough to block it from participation in the intramolecular catalytic activation of the peptide bond synthesis. Such blocking could result in inhibition of the protein biosynthesis in the living cell if the corresponding group is delivered as a part of a drug molecule in the vicinity of the active site in the ribosome. According to our results, such activity can be accomplished by secondary or tertiary amines, alkoxy groups, deprotonated carboxyl groups, and aliphatic fluorides, but not by the other modeled functional groups.

  2. ISOLATED MOLECULES IN METALS

    NARCIS (Netherlands)

    1992-01-01

    In this paper, some results obtained on the formation of isolated molecules of composition SnOx in silver and SnFx in copper-are reviewed. Hyperfine interaction and ion beam interaction techniques were used for the identification of these molecules.

  3. ISOLATED MOLECULES IN METALS

    NARCIS (Netherlands)

    1992-01-01

    In this paper, some results obtained on the formation of isolated molecules of composition SnOx in silver and SnFx in copper-are reviewed. Hyperfine interaction and ion beam interaction techniques were used for the identification of these molecules.

  4. Global Liquidity Trap

    OpenAIRE

    Fujiwara, Ippei; NAKAJIMA Tomoyuki; Sudo, Nao; Teranishi, Yuki

    2011-01-01

    In this paper we consider a two-country New Open Economy Macroeconomics model, and analyze the optimal monetary policy when countries cooperate in the face of a "global liquidity trap" -- i.e., a situation where the two countries are simultaneously caught in liquidity traps. The notable features of the optimal policy in the face of a global liquidity trap are history dependence and international dependence. The optimality of history dependent policy is confirmed as in local liquidity trap. A ...

  5. Ion trap simulation tools.

    Energy Technology Data Exchange (ETDEWEB)

    Hamlet, Benjamin Roger

    2009-02-01

    Ion traps present a potential architecture for future quantum computers. These computers are of interest due to their increased power over classical computers stemming from the superposition of states and the resulting capability to simultaneously perform many computations. This paper describes a software application used to prepare and visualize simulations of trapping and maneuvering ions in ion traps.

  6. Photoassociative creation of ultracold heteronuclear 6Li40K* molecules

    CERN Document Server

    Ridinger, Armin; Salez, Thomas; Fernandes, Diogo Rio; Bouloufa, Nadia; Dulieu, Olivier; Salomon, Christophe; Chevy, Frederic

    2011-01-01

    We investigate the formation of weakly bound, electronically excited, heteronuclear 6Li40K* molecules by single-photon photoassociation in a magneto-optical trap. We performed trap loss spectroscopy within a range of 325 GHz below the Li(2S_(1/2))+K(4P_(3/2)) and Li(2S_(1/2))+K(4P_(1/2)) asymptotic states and observed more than 60 resonances, which we identify as rovibrational levels of 7 of 8 attractive long-range molecular potentials. The long-range dispersion coefficients and rotational constants are derived. We find large molecule formation rates of up to ~3.5x10^7s^(-1), which are shown to be comparable to those for homonuclear 40K_2*. Using a theoretical model we infer decay rates to the deeply bound electronic ground-state vibrational level X^1\\Sigma^+(v'=3) of ~5x10^4s^(-1). Our results pave the way for the production of ultracold bosonic ground-state 6Li40K molecules which exhibit a large intrinsic permanent electric dipole moment.

  7. A CF4 based positron trap

    Science.gov (United States)

    Marjanović, Srdjan; Banković, Ana; Cassidy, David; Cooper, Ben; Deller, Adam; Dujko, Saša; Petrović, Zoran Lj

    2016-11-01

    All buffer-gas positron traps in use today rely on N2 as the primary trapping gas due to its conveniently placed {{{a}}}1{{\\Pi }} electronic excitation cross-section. The energy loss per excitation in this process is 8.5 eV, which is sufficient to capture positrons from low-energy moderated beams into a Penning-trap configuration of electric and magnetic fields. However, the energy range over which this cross-section is accessible overlaps with that for positronium (Ps) formation, resulting in inevitable losses and setting an intrinsic upper limit on the overall trapping efficiency of ∼25%. In this paper we present a numerical simulation of a device that uses CF4 as the primary trapping gas, exploiting vibrational excitation as the main inelastic capture process. The threshold for such excitations is far below that for Ps formation and hence, in principle, a CF4 trap can be highly efficient; our simulations indicate that it may be possible to achieve trapping efficiencies as high as 90%. We also report the results of an attempt to re-purpose an existing two-stage N2-based buffer-gas positron trap. Operating the device using CF4 proved unsuccessful, which we attribute to back scattering and expansion of the positron beam following interactions with the CF4 gas, and an unfavourably broad longitudinal beam energy spread arising from the magnetic field differential between the source and trap regions. The observed performance was broadly consistent with subsequent simulations that included parameters specific to the test system, and we outline the modifications that would be required to realise efficient positron trapping with CF4. However, additional losses appear to be present which require further investigation through both simulation and experiment.

  8. Photodissociation of Trapped Rb2+: Implications for Simultaneous Trapping of Atoms and Molecular Ions

    Science.gov (United States)

    Jyothi, S.; Ray, Tridib; Dutta, Sourav; Allouche, A. R.; Vexiau, Romain; Dulieu, Olivier; Rangwala, S. A.

    2016-11-01

    The direct photodissociation of trapped 85Rb2+ (rubidium) molecular ions by the cooling light for the 85Rb magneto-optical trap (MOT) is studied, both experimentally and theoretically. Vibrationally excited Rb2+ ions are created by photoionization of Rb2 molecules formed photoassociatively in the Rb MOT and are trapped in a modified spherical Paul trap. The decay rate of the trapped Rb2+ ion signal in the presence of the MOT cooling light is measured and agreement with our calculated rates for molecular ion photodissociation is observed. The photodissociation mechanism due to the MOT light is expected to be active and therefore universal for all homonuclear diatomic alkali metal molecular ions.

  9. Photodissociation of trapped Rb$^+_2$ : Implications for hybrid molecular ion-atom trapping

    CERN Document Server

    Jyothi, S; Dutta, Sourav; Allouche, A R; Vexiau, Romain; Dulieu, Olivier; Rangwala, S A

    2016-01-01

    We observe direct photodissociation of trapped $^{85}$Rb$_2^+$ molecular ions in the presence of cooling light for the $^{85}$Rb magneto optical trap (MOT). Vibrationally excited Rb$_{2}^{+}$ ions are created by photoionization of Rb$_{2}$ molecules formed photoassociatively in the rubidium (Rb) MOT and are trapped in a modified spherical Paul trap co-centric with the MOT. The decay rate of the trapped Rb$_{2}^{+}$ ion signal in the presence of the MOT cooling light is measured and agreement with our calculated rates for molecular ion photodissociation is established. The photodissociation mechanism due to the MOT light is expected to be active and therefore universal for all homonuclear diatomic alkali metal molecular ions.

  10. Space-time crystals of trapped ions.

    Science.gov (United States)

    Li, Tongcang; Gong, Zhe-Xuan; Yin, Zhang-Qi; Quan, H T; Yin, Xiaobo; Zhang, Peng; Duan, L-M; Zhang, Xiang

    2012-10-19

    Spontaneous symmetry breaking can lead to the formation of time crystals, as well as spatial crystals. Here we propose a space-time crystal of trapped ions and a method to realize it experimentally by confining ions in a ring-shaped trapping potential with a static magnetic field. The ions spontaneously form a spatial ring crystal due to Coulomb repulsion. This ion crystal can rotate persistently at the lowest quantum energy state in magnetic fields with fractional fluxes. The persistent rotation of trapped ions produces the temporal order, leading to the formation of a space-time crystal. We show that these space-time crystals are robust for direct experimental observation. We also study the effects of finite temperatures on the persistent rotation. The proposed space-time crystals of trapped ions provide a new dimension for exploring many-body physics and emerging properties of matter.

  11. Direct frequency comb laser cooling and trapping

    CERN Document Server

    Jayich, A M; Campbell, W C

    2016-01-01

    Continuous wave (CW) lasers are the enabling technology for producing ultracold atoms and molecules through laser cooling and trapping. The resulting pristine samples of slow moving particles are the de facto starting point for both fundamental and applied science when a highly-controlled quantum system is required. Laser cooled atoms have recently led to major advances in quantum information, the search to understand dark energy, quantum chemistry, and quantum sensors. However, CW laser technology currently limits laser cooling and trapping to special types of elements that do not include highly abundant and chemically relevant atoms such as hydrogen, carbon, oxygen, and nitrogen. Here, we demonstrate that Doppler cooling and trapping by optical frequency combs may provide a route to trapped, ultracold atoms whose spectra are not amenable to CW lasers. We laser cool a gas of atoms by driving a two-photon transition with an optical frequency comb, an efficient process to which every comb tooth coherently cont...

  12. Trapping of molecular Oxygen together with Lithium atoms

    CERN Document Server

    Akerman, Nitzan; Segev, Yair; Bibelnik, Natan; Narevicius, Julia; Narevicius, Edvardas

    2016-01-01

    We demonstrate simultaneous deceleration and trapping of a cold atomic and molecular mixture. This is the first step towards studies of cold atom-molecule collisions at low temperatures as well as application of sympathetic cooling. Both atoms and molecules are cooled in a supersonic expansion and are loaded into a moving magnetic trap which brings them to rest via the Zeeman interaction from an initial velocity of 375 m/s. We use a beam seeded with molecular Oxygen, and entrain it with Lithium atoms by laser ablation prior to deceleration. The deceleration ends with loading of the mixture into a static quadrupole trap, which is generated by two permanent magnets. We estimate $10^9$ trapped O$_2$ molecules and $10^5$ Li atoms with background pressure limited lifetime on the order of 1 second. With further improvements to Lithium entrainment we expect that sympathetic cooling of molecules is within reach.

  13. Trapping of Molecular Oxygen together with Lithium Atoms

    Science.gov (United States)

    Akerman, Nitzan; Karpov, Michael; Segev, Yair; Bibelnik, Natan; Narevicius, Julia; Narevicius, Edvardas

    2017-08-01

    We demonstrate simultaneous deceleration and trapping of a cold atomic and molecular mixture. This is the first step towards studies of cold atom-molecule collisions at low temperatures as well as application of sympathetic cooling. Both atoms and molecules are cooled in a supersonic expansion and are loaded into a moving magnetic trap that brings them to rest via the Zeeman interaction from an initial velocity of 375 m /s . We use a beam seeded with molecular oxygen, and entrain it with lithium atoms by laser ablation prior to deceleration. The deceleration ends with loading of the mixture into a static quadrupole trap, which is generated by two permanent magnets. We estimate 1 09 trapped O2 molecules and 1 05 Li atoms with background pressure limited lifetime on the order of 1 sec. With further improvements to lithium entrainment we expect that sympathetic cooling of molecules is within reach.

  14. The influence of trapping centres on the photoelectron decay in silver halide

    Institute of Scientific and Technical Information of China (English)

    Li Xiao-Wei; Zhang Rong-Xiang; Liu Rong-Juan; Yang Shao-Peng; Han Li; Fu Guang-Sheng

    2006-01-01

    Photoelectron is the foundation of latent image formation, the decay process of photoelectrons is influenced by all kinds of trapping centres in silver halide. By analysing the mechanism of latent image formation it is found that electron trap, hole trap, and one kind of recombination centre where free electron and trapped hole recombine are the main trapping centres in silver halide. Different trapping centres have different influences on the photoelectron behaviour. The effects of all kinds of typical trapping centres on the decay of photoelectrons are systematically investigated by solving the photoelectron decay kinetic equations. The results are in agreement with those obtained in the microwave absorption dielectric spectrum experiment.

  15. Superconducting microfabricated ion traps

    CERN Document Server

    Wang, Shannon X; Labaziewicz, Jaroslaw; Dauler, Eric; Berggren, Karl; Chuang, Isaac L

    2010-01-01

    We fabricate superconducting ion traps with niobium and niobium nitride and trap single 88Sr ions at cryogenic temperatures. The superconducting transition is verified and characterized by measuring the resistance and critical current using a 4-wire measurement on the trap structure, and observing change in the rf reflection. The lowest observed heating rate is 2.1(3) quanta/sec at 800 kHz at 6 K and shows no significant change across the superconducting transition, suggesting that anomalous heating is primarily caused by noise sources on the surface. This demonstration of superconducting ion traps opens up possibilities for integrating trapped ions and molecular ions with superconducting devices.

  16. Direct and allosteric inhibition of the FGF2/HSPGs/FGFR1 ternary complex formation by an antiangiogenic, thrombospondin-1-mimic small molecule.

    Directory of Open Access Journals (Sweden)

    Katiuscia Pagano

    Full Text Available Fibroblast growth factors (FGFs are recognized targets for the development of therapies against angiogenesis-driven diseases, including cancer. The formation of a ternary complex with the transmembrane tyrosine kinase receptors (FGFRs, and heparan sulphate proteoglycans (HSPGs is required for FGF2 pro-angiogenic activity. Here by using a combination of techniques including Nuclear Magnetic Resonance, Molecular Dynamics, Surface Plasmon Resonance and cell-based binding assays we clarify the molecular mechanism of inhibition of an angiostatic small molecule, sm27, mimicking the endogenous inhibitor of angiogenesis, thrombospondin-1. NMR and MD data demonstrate that sm27 engages the heparin-binding site of FGF2 and induces long-range dynamics perturbations along FGF2/FGFR1 interface regions. The functional consequence of the inhibitor binding is an impaired FGF2 interaction with both its receptors, as demonstrated by SPR and cell-based binding assays. We propose that sm27 antiangiogenic activity is based on a twofold-direct and allosteric-mechanism, inhibiting FGF2 binding to both its receptors.

  17. State-of-the-Art Thermochemical and Kinetic Computations for Astrochemical Complex Organic Molecules: Formamide Formation in Cold Interstellar Clouds as a Case Study.

    Science.gov (United States)

    Vazart, Fanny; Calderini, Danilo; Puzzarini, Cristina; Skouteris, Dimitrios; Barone, Vincenzo

    2016-11-08

    We describe an integrated computational strategy aimed at providing reliable thermochemical and kinetic information on the formation processes of astrochemical complex organic molecules. The approach involves state-of-the-art quantum-mechanical computations, second-order vibrational perturbation theory, and kinetic models based on capture and transition state theory together with the master equation approach. Notably, tunneling, quantum reflection, and leading anharmonic contributions are accounted for in our model. Formamide has been selected as a case study in view of its interest as a precursor in the abiotic amino acid synthesis. After validation of the level of theory chosen for describing the potential energy surface, we have investigated several pathways of the OH + CH2NH and NH2 + H2CO reaction channels. Our results show that both reaction channels are essentially barrierless (in the sense that all relevant transition states lie below or only marginally above the reactants) and once tunneling is taken into the proper account indicate that the reaction can occur under the low temperature conditions of interstellar environments.

  18. A novel small molecule STAT3 inhibitor, LY5, inhibits cell viability, colony formation, and migration of colon and liver cancer cells

    Science.gov (United States)

    Yu, Wenying; Jou, David; Wang, Yina; Ma, Haiyan; Xiao, Hui; Qin, Hua; Zhang, Cuntai; Lü, Jiagao; Li, Sheng; Li, Chenglong; Lin, Jiayuh; Lin, Li

    2016-01-01

    Signal Transducer and Activator of Transcription 3 (STAT3) is persistently activated in human liver and colon cancer cells and is required for cancer cell viability, survival and migration. Therefore, inhibition of STAT3 signaling may be a viable therapeutic approach for these two cancers. We recently designed a non-peptide small molecule STAT3 inhibitor, LY5, using in silico site-directed Fragment-based drug design (FBDD). The inhibitory effect on STAT3 phosphorylation, cell viability, migration and colony forming ability by LY5 were examined in human liver and colon cancer cells. We demonstrated that LY5 inhibited constitutive Interleukin-6 (IL-6)-induced STAT3 phosphorylation, STAT3 nuclear translocation, decreased STAT3 downstream targeted gene expression and induced apoptosis in liver and colon cancer cells. LY5 had little effect on STAT1 phosphorylation mediated by IFN-γ. Inhibition of persistent STAT3 phosphorylation by LY5 also inhibited colony formation, cell migration, and decreased the viability of liver cancer and colon cancer cells. Furthermore, LY5 inhibited STAT3 phosphorylation and suppressed colon tumor growth in a mouse model in vivo. Our results suggest that LY5 is a potent STAT3 inhibitor and may be a potential drug candidate for liver and colon cancer therapy. PMID:26883202

  19. Optical trapping of metal-dielectric nanoparticle clusters near photonic crystal microcavities.

    Science.gov (United States)

    Mejia, Camilo A; Huang, Ningfeng; Povinelli, Michelle L

    2012-09-01

    We predict the formation of optically trapped, metal-dielectric nanoparticle clusters above photonic crystal microcavities. We determine the conditions on particle size and position for a gold particle to be trapped above the microcavity. We then show that strong field redistribution and enhancement near the trapped gold nanoparticle results in secondary trapping sites for a pair of dielectric nanoparticles.

  20. Molecules in galaxies

    CERN Document Server

    Omont, Alain

    2007-01-01

    The main achievements, current developments and prospects of molecular studies in external galaxies are reviewed. They are put in the context of the results of several decades of studies of molecules in local interstellar medium, their chemistry and their importance for star formation. CO observations have revealed the gross structure of molecular gas in galaxies. Together with other molecules, they are among the best tracers of star formation at galactic scales. Our knowledge about molecular abundances in various local galactic environments is progressing. They trace physical conditions and metallicity, and they are closely related to dust processes and large aromatic molecules. Major recent developments include mega-masers, and molecules in Active Galactic Nuclei; millimetre emission of molecules at very high redshift; and infrared H2 emission as tracer of warm molecular gas, shocks and photodissociation regions. The advent of sensitive giant interferometers from the centimetre to sub-millimetre range, espe...

  1. Formation of cold molecules through the photo-association of cold atoms of Cesium. Existence of long range forces between between cold excited atoms of Cesium; Formation de molecules froides par photoassociation d'atomes froids de cesium. Mise en evidence de forces a longue portee entre atomes froids excites de cesium

    Energy Technology Data Exchange (ETDEWEB)

    Comparat, D

    1999-09-01

    This thesis deals with the experimental study and the theoretical interpretation of the processes involved in photo-association and the formation of cold caesium molecules. It also presents a study of the dipolar forces between a pair of cold excited caesium atoms. We present here the first photo-association experiment on cold caesium atoms: two cold atoms absorb a photon to form an excited electronically excited molecules in a rotation-vibration level. The first production of cold molecules which was realised experimentally, after the spontaneous deexcitation of the photo-associated molecules, is described, stressing the role of the potential well of the molecular states O{sub g}{sup -}(6s+6p{sub 3/2}) or 1{sub u} (6s+6p{sub 3/2}) of caesium. The detection of the formed caesium molecules is based on a two-photons resonant ionisation that creates Cs{sub 2}{sup +} ions, afterwards selectively detected. Temperatures around 20-200 {mu}K have been measured. The photo-associative spectroscopy is described on the theoretical point of view: a detailed theoretical study allows to calculate precisely the asymptotic parts of the potential curves. On the experimental point of view, we present the spectroscopy of the extern potential well of the caesium state O{sub g}{sup -}(6s+6p{sub 3/2}) and the construction of an effective potential curve of the RKR type. A unified theory of photo-association in weak field, considered as a collision assisted by laser, is developed. The cold atoms experiments allow to study and control the collision between two atoms whose mutual interaction is of the dipole-dipole type. Two different physical systems are studied: a sample of Rydberg atoms, and the photo-association process which is a laser-assisted collision. A modification of the motion of one pair of atoms makes it possible to control the bipolar forces and to choose the atoms relative speeds. (author)

  2. Antiparticle plasmas for antihydrogen trapping

    Science.gov (United States)

    Charlton, M.; Andresen, G. B.; Ashkezari, M. D.; Baquero-Ruiz, M.; Bertsche, W.; Bowe, P. D.; Butler, E.; Carpenter, P. T.; Cesar, C. L.; Chapman, S.; Eriksson, S.; Fajans, J.; Friesen, T.; Fujiwara, M. C.; Gill, D. R.; Gutierrez, A.; Hangst, J. S.; Hardy, W. N.; Hayano, R. S.; Hayden, M. E.; Humphries, A. J.; Hurt, J. L.; Hydomako, R.; Jonsell, S.; Kurchaninov, L.; Madsen, N.; Menary, S.; Nolan, P.; Olchanski, K.; Olin, A.; Povilus, A.; Pusa, P.; Robicheaux, F.; Sarid, E.; Silveira, D. M.; So, C.; Storey, J. W.; Thompson, R. I.; van der Werf, D. P.; Wurtele, J. S.; Yamazaki, Y.

    2012-05-01

    Over the last decades it has become routine to form beams of positrons and antiprotons and to use them to produce trapped samples of both species for a variety of purposes. Positrons can be captured efficiently, for instance using a buffer-gas system, and in such quantities to form dense, single component plasmas useful for antihydrogen formation. The latter is possible using developments of techniques for dynamically capturing and then cooling antiprotons ejected from the Antiproton Decelerator at CERN. The antiprotons can then be manipulated by cloud compression and evaporative cooling to form tailored plasmas. We will review recent advances that have allowed antihydrogen atoms to be confined for the first time in a shallow magnetic minimum neutral atom trap superimposed upon the region in which the antiparticles are held and mixed. A new mixing technique has been developed to help achieve this using autoresonant excitation of the centreofmass longitudinal motion of an antiproton cloud. This allows efficient antihydrogen formation without imparting excess energy to the antiprotons and helps enhance the probability of trapping the anti-atom.

  3. Trap style influences wild pig behavior and trapping success

    Science.gov (United States)

    Williams, B.L.; Holtfreter, R.W.; Ditchkoff, S.S.; Grand, J.B.

    2011-01-01

    Despite the efforts of many natural resource professionals, wild pig (Sus scrofa) populations are expanding in many areas of the world. Although many creative techniques for controlling pig populations are being explored, trapping has been and still is themost commonly usedmethod of population control formany public and private land managers. We conducted an observational study to examine the efficiency of 2 frequently used trap styles: a small, portable box-style trap and a larger, semi-permanent, corral-style trap.We used game cameras to examine patterns of trap entry by wild pigs around each style of trap, and we conducted a trapping session to compare trapping success between trap styles. Adult female and juvenile wild pigs entered both styles of trap more readily than did adult males, and adult males seemed particularly averse to entering box traps. Less than 10% of adult male visits to box traps resulted in entries, easily the least percentage of any class at any style of trap. Adult females entered corral traps approximately 2.2 times more often per visit than box traps and re-entered corral traps >2 times more frequently. Juveniles entered and reentered both box and corral traps at similar rates. Overall (all-class) entry-per-visit rates at corral traps (0.71) were nearly double that of box traps (0.37). Subsequent trapping data supported these preliminary entry data; the capture rate for corral traps was >4 times that of box traps. Our data suggest that corral traps are temporally and economically superior to box traps with respect to efficiency; that is, corral traps effectively trap more pigs per trap night at a lower cost per pig than do box traps. ?? 2011 The Wildlife Society.

  4. Strongly interacting ultracold polar molecules

    CERN Document Server

    Gadway, Bryce

    2016-01-01

    This paper reviews recent advances in the study of strongly interacting systems of dipolar molecules. Heteronuclear molecules feature large and tunable electric dipole moments, which give rise to long-range and anisotropic dipole-dipole interactions. Ultracold samples of dipolar molecules with long-range interactions offer a unique platform for quantum simulations and the study of correlated many-body physics. We provide an introduction to the physics of dipolar quantum gases, both electric and magnetic, and summarize the multipronged efforts to bring dipolar molecules into the quantum regime. We discuss in detail the recent experimental progress in realizing and studying strongly interacting systems of polar molecules trapped in optical lattices, with particular emphasis on the study of interacting spin systems and non-equilibrium quantum magnetism. Finally, we conclude with a brief discussion of the future prospects for studies of strongly interacting dipolar molecules.

  5. Microfabricated ion trap array

    Science.gov (United States)

    Blain, Matthew G.; Fleming, James G.

    2006-12-26

    A microfabricated ion trap array, comprising a plurality of ion traps having an inner radius of order one micron, can be fabricated using surface micromachining techniques and materials known to the integrated circuits manufacturing and microelectromechanical systems industries. Micromachining methods enable batch fabrication, reduced manufacturing costs, dimensional and positional precision, and monolithic integration of massive arrays of ion traps with microscale ion generation and detection devices. Massive arraying enables the microscale ion traps to retain the resolution, sensitivity, and mass range advantages necessary for high chemical selectivity. The reduced electrode voltage enables integration of the microfabricated ion trap array with on-chip circuit-based rf operation and detection electronics (i.e., cell phone electronics). Therefore, the full performance advantages of the microfabricated ion trap array can be realized in truly field portable, handheld microanalysis systems.

  6. A study of the region of massive star formation L379IRS1 in radio lines of methanol and other molecules

    Science.gov (United States)

    Kalenskii, S. V.; Shchurov, M. A.

    2016-04-01

    The results of spectral observations of the region of massive star formation L379IRS1 (IRAS18265-1517) are presented. The observations were carried out with the 30-m Pico Veleta radio telescope (Spain) at seven frequencies in the 1-mm, 2-mm, and 3-mm wavelength bands. Lines of 24 molecules were detected, from simple diatomic or triatomic species to complex eight- or nine-atom compounds such as CH3OCHO or CH3OCH3. Rotation diagrams constructed from methanol andmethyl cyanide lines were used to determine the temperature of the quiescent gas in this region, which is about 40-50 K. In addition to this warm gas, there is a hot component that is revealed through high-energy lines of methanol and methyl cyanide, molecular lines arising in hot regions, and the presence of H2O masers and Class II methanol masers at 6.7 GHz, which are also related to hot gas. One of the hot regions is probably a compact hot core, which is located near the southern submillimeter peak and is related to a group of methanol masers at 6.7 GHz. High-excitation lines at other positions may be associated with other hot cores or hot post-shock gas in the lobes of bipolar outflows. The rotation diagrams can be use to determine the column densities and abundances of methanol (10-9) and methyl cyanide (about 10-11) in the quiescent gas. The column densities of A- and E-methanol in L379IRS1 are essentually the same. The column densities of other observedmolecules were calculated assuming that the ratios of the molecular level abundances correspond to a temperature of 40 K. The molecular composition of the quiescent gas is close to that in another region of massive star formation, DR21(OH). The only appreciable difference is that the column density of SO2 in L379IRS1 is at least a factor of 20 lower than the value in DR21(OH). The SO2/CS and SO2/OCS abundance ratios, which can be used as chemical clocks, are lower in L379IRS1 than in DR21(OH), suggesting that L379IRS1 is probably younger than DR21(OH).

  7. Neutral atom traps.

    Energy Technology Data Exchange (ETDEWEB)

    Pack, Michael Vern

    2008-12-01

    This report describes progress in designing a neutral atom trap capable of trapping sub millikelvin atom in a magnetic trap and shuttling the atoms across the atom chip from a collection area to an optical cavity. The numerical simulation and atom chip design are discussed. Also, discussed are preliminary calculations of quantum noise sources in Kerr nonlinear optics measurements based on electromagnetically induced transparency. These types of measurements may be important for quantum nondemolition measurements at the few photon limit.

  8. Photoassociation of ultracold LiRb* molecules: Observation of high efficiency and unitarity-limited rate saturation

    Science.gov (United States)

    Dutta, Sourav; Lorenz, John; Altaf, Adeel; Elliott, D. S.; Chen, Yong P.

    2014-02-01

    We report the production of ultracold heteronuclear Li7Rb85 molecules in excited electronic states by photoassociation (PA) of ultracold Li7 and Rb85 atoms. PA is performed in a dual-species Li7-Rb85 magneto-optical trap (MOT) and the PA resonances are detected using trap loss spectroscopy. We identify several strong PA resonances below the Li (2s 2S1/2) + Rb (5p 2P3/2) asymptote and experimentally determine the long range C6 dispersion coefficients. We find a molecule formation rate (PLiRb) of 3.5 × 107 s-1 and a PA rate coefficient (KPA) of 1.3 × 10-10 cm3/s, the highest among heteronuclear bi-alkali-metal molecules. At large PA laser intensity we observe the saturation of the PA rate coefficient (KPA) close to the theoretical value at the unitarity limit.

  9. Photoassociation of ultracold LiRb* molecules: observation of high efficiency and unitarity-limited rate saturation

    CERN Document Server

    Dutta, Sourav; Altaf, Adeel; Elliott, D S; Chen, Yong P

    2013-01-01

    We report the production of ultracold heteronuclear 7Li85Rb molecules in excited electronic states by photoassociation (PA) of ultracold 7Li and 85Rb atoms. PA is performed in a dual-species 7Li-85Rb magneto-optical trap (MOT) and the PA resonances are detected using trap loss spectroscopy. We identify several strong PA resonances below the Li (2s 2S1/2) + Rb (5p 2P3/2) asymptote and experimentally determine the long range C6 dispersion coefficients. We find a molecule formation rate (P_LiRb) of 3.5x10^7 s^-1 and a PA rate coefficient (K_PA) of 1.3x10^-10 cm^3/s, the highest among heteronuclear bi-alkali molecules. At large PA laser intensity, we observe the saturation of the PA rate coefficient (K_PA) close to the theoretical value at the unitarity limit.

  10. Molecule nanoweaver

    Science.gov (United States)

    Gerald, II; Rex E.; Klingler, Robert J.; Rathke, Jerome W.; Diaz, Rocio; Vukovic, Lela

    2009-03-10

    A method, apparatus, and system for constructing uniform macroscopic films with tailored geometric assemblies of molecules on the nanometer scale. The method, apparatus, and system include providing starting molecules of selected character, applying one or more force fields to the molecules to cause them to order and condense with NMR spectra and images being used to monitor progress in creating the desired geometrical assembly and functionality of molecules that comprise the films.

  11. Towards trapped antihydrogen

    Science.gov (United States)

    Jørgensen, L. V.; Andresen, G.; Bertsche, W.; Boston, A.; Bowe, P. D.; Cesar, C. L.; Chapman, S.; Charlton, M.; Fajans, J.; Fujiwara, M. C.; Funakoshi, R.; Gill, D. R.; Hangst, J. S.; Hayano, R. S.; Hydomako, R.; Jenkins, M. J.; Kurchaninov, L.; Madsen, N.; Nolan, P.; Olchanski, K.; Olin, A.; Page, R. D.; Povilus, A.; Robicheaux, F.; Sarid, E.; Silveira, D. M.; Storey, J. W.; Thompson, R. I.; van der Werf, D. P.; Wurtele, J. S.; Yamazaki, Y.; Alpha Collaboration

    2008-02-01

    Substantial progress has been made in the last few years in the nascent field of antihydrogen physics. The next big step forward is expected to be the trapping of the formed antihydrogen atoms using a magnetic multipole trap. ALPHA is a new international project that started to take data in 2006 at CERN's Antiproton Decelerator facility. The primary goal of ALPHA is stable trapping of cold antihydrogen atoms to facilitate measurements of its properties. We discuss the status of the ALPHA project and the prospects for antihydrogen trapping.

  12. Towards trapped antihydrogen

    CERN Document Server

    Jorgensen, L V; Bertsche, W; Boston, A; Bowe, P D; Cesar, C L; Chapman, S; Charlton, M; Fajans, J; Fujiwara, M C; Funakoshi, R; Gill, D R; Hangst, J S; Hayano, R S; Hydomako, R; Jenkins, M J; Kurchaninov, L; Madsen, N; Nolan, P; Olchanski, K; Olin, A; Page, R D; Povilus, A; Robicheaux, F; Sarid, E; Silveira, D M; Storey, J W; Thompson, R I; van der Werf, D P; Wurtele, J S; Yamazaki, Y

    2008-01-01

    Substantial progress has been made in the last few years in the nascent field of antihydrogen physics. The next big step forward is expected to be the trapping of the formed antihydrogen atoms using a magnetic multipole trap. ALPHA is a new international project that started to take data in 2006 at CERN’s Antiproton Decelerator facility. The primary goal of ALPHA is stable trapping of cold antihydrogen atoms to facilitate measurements of its properties. We discuss the status of the ALPHA project and the prospects for antihydrogen trapping.

  13. Concentration of membrane antigens by forward transport and trapping in neuronal growth cones.

    Science.gov (United States)

    Sheetz, M P; Baumrind, N L; Wayne, D B; Pearlman, A L

    1990-04-20

    Formation of the nervous system requires that neuronal growth cones follow specific paths and then stop at recognition signals, sensed at the growth cone's leading edge. We used antibody-coated gold particles viewed by video-enhanced differential interference contrast microscopy to observe the distribution and movement of two cell surface molecules, N-CAM and the 2A1 antigen, on growth cones of cultured cortical neurons. Gold particles are occasionally transported forward at 1-2 microns/s to the leading edge where they are trapped but continue to move. Concentration at the edge persists after cytochalasin D treatment or ATP depletion, but active movements to and along edges cease. We also observed a novel outward movement of small cytoplasmic aggregates at 1.8 microns/s in filopodia. We suggest that active forward transport and trapping involve reversible attachment of antigens to and transport along cytoskeletal elements localized to edges of growth cones.

  14. Ultralong-Range Rydberg Molecules in a Divalent-Atomic System

    CERN Document Server

    DeSalvo, B J; Dunning, F B; Killian, T C; Sadeghpour, H R; Yoshida, S; Burgdörfer, J

    2015-01-01

    We report the creation of ultralong-range Sr$_2$ molecules comprising one ground-state $5s^2$ $^1S_0$ atom and one atom in a $5sns$ $^3S_1$ Rydberg state for $n$ ranging from 29 to 36. Molecules are created in a trapped ultracold atomic gas using two-photon excitation near resonant with the $5s5p$ $^3P_1$ intermediate state, and their formation is detected through ground-state atom loss from the trap. The observed molecular binding energies are fit with the aid of first-order perturbation theory that utilizes a Fermi pseudopotential with effective $s$-wave and $p$-wave scattering lengths to describe the interaction between an excited Rydberg electron and a ground-state Sr atom.

  15. Antiparticle sources for antihydrogen production and trapping

    Science.gov (United States)

    Charlton, M.; Andresen, G. B.; Ashkezari, M. D.; Baquero-Ruiz, M.; Bertsche, W.; Bowe, P. D.; Bray, C. C.; Butler, E.; Cesar, C. L.; Chapman, S.; Fajans, J.; Friesen, T.; Fujiwara, M. C.; Gill, D. R.; Hangst, J. S.; Hardy, W. N.; Hayano, R. S.; Hayden, M. E.; Humphries, A. J.; Hydomako, R.; Jonsell, S.; Jørgensen, L. V.; Kerrigan, S. J.; Kurchaninov, L.; Lambo, R.; Madsen, N.; Menary, S.; Nolan, P.; Olchanski, K.; Povilus, A.; Pusa, P.; Robicheaux, F.; Sarid, E.; Seif El Nasr, S.; Silveira, D. M.; So, C.; Storey, J. W.; Thompson, R. I.; Van Der Werf, D. P.; Wilding, D.; Wurtele, J. S.; Yamazaki, Y.; Alpha Collaboration

    2011-12-01

    Sources of positrons and antiprotons that are currently used for the formation of antihydrogen with low kinetic energies are reviewed, mostly in the context of the ALPHA collaboration and its predecessor ATHENA. The experiments were undertaken at the Antiproton Decelerator facility, which is located at CERN. Operations performed on the clouds of antiparticles to facilitate their mixing to produce antihydrogen are described. These include accumulation, cooling and manipulation. The formation of antihydrogen and some of the characteristics of the anti-atoms that are created are discussed. Prospects for trapping antihydrogen in a magnetic minimum trap, as envisaged by the ALPHA collaboration, are reviewed.

  16. Trapped Electron Precession Shear Induced Fluctuation Decorrelation

    Energy Technology Data Exchange (ETDEWEB)

    T.S. Hahm; P.H. Diamond; E.-J. Kim

    2002-07-29

    We consider the effects of trapped electron precession shear on the microturbulence. In a similar way the strong E x B shear reduces the radial correlation length of ambient fluctuations, the radial variation of the trapped electron precession frequency can reduce the radial correlation length of fluctuations associated with trapped electrons. In reversed shear plasmas, with the explicit dependence of the trapped electron precession shearing rate on B(subscript)theta, the sharp radial gradient of T(subscript)e due to local electron heating inside qmin can make the precession shearing mechanism more effective, and reduce the electron thermal transport constructing a positive feedback loop for the T(subscript)e barrier formation.

  17. Search for trapped antihydrogen

    Science.gov (United States)

    Andresen, G. B.; Ashkezari, M. D.; Baquero-Ruiz, M.; Bertsche, W.; Bowe, P. D.; Bray, C. C.; Butler, E.; Cesar, C. L.; Chapman, S.; Charlton, M.; Fajans, J.; Friesen, T.; Fujiwara, M. C.; Gill, D. R.; Hangst, J. S.; Hardy, W. N.; Hayano, R. S.; Hayden, M. E.; Humphries, A. J.; Hydomako, R.; Jonsell, S.; Jørgensen, L. V.; Kurchaninov, L.; Lambo, R.; Madsen, N.; Menary, S.; Nolan, P.; Olchanski, K.; Olin, A.; Povilus, A.; Pusa, P.; Robicheaux, F.; Sarid, E.; Seif El Nasr, S.; Silveira, D. M.; So, C.; Storey, J. W.; Thompson, R. I.; van der Werf, D. P.; Wilding, D.; Wurtele, J. S.; Yamazaki, Y.; Alpha Collaboration

    2011-01-01

    We present the results of an experiment to search for trapped antihydrogen atoms with the ALPHA antihydrogen trap at the CERN Antiproton Decelerator. Sensitive diagnostics of the temperatures, sizes, and densities of the trapped antiproton and positron plasmas have been developed, which in turn permitted development of techniques to precisely and reproducibly control the initial experimental parameters. The use of a position-sensitive annihilation vertex detector, together with the capability of controllably quenching the superconducting magnetic minimum trap, enabled us to carry out a high-sensitivity and low-background search for trapped synthesised antihydrogen atoms. We aim to identify the annihilations of antihydrogen atoms held for at least 130 ms in the trap before being released over ∼30 ms. After a three-week experimental run in 2009 involving mixing of 10 7 antiprotons with 1.3×10 positrons to produce 6×10 antihydrogen atoms, we have identified six antiproton annihilation events that are consistent with the release of trapped antihydrogen. The cosmic ray background, estimated to contribute 0.14 counts, is incompatible with this observation at a significance of 5.6 sigma. Extensive simulations predict that an alternative source of annihilations, the escape of mirror-trapped antiprotons, is highly unlikely, though this possibility has not yet been ruled out experimentally.

  18. Trapping radioactive ions

    CERN Document Server

    Kluge, Heinz-Jürgen

    2004-01-01

    Trapping devices for atomic and nuclear physics experiments with radioactive ions are becoming more and more important at accelerator facilities. While about ten years ago only one online Penning trap experiment existed, namely ISOLTRAP at ISOLDE/CERN, meanwhile almost every radioactive beam facility has installed or plans an ion trap setup. This article gives an overview on ion traps in the operation, construction or planing phase which will be used for fundamental studies with short-lived radioactive nuclides such as mass spectrometry, laser spectroscopy and nuclear decay spectroscopy. In addition, this article summarizes the use of gas cells and radiofrequency quadrupole (Paul) traps at different facilities as a versatile tool for ion beam manipulation like retardation, cooling, bunching, and cleaning.

  19. Optical Sensing and Trapping Based on Localized Surface Plasmons

    Science.gov (United States)

    Kang, Zhiwen

    This project involves the study of novel plasmonic nanodevices that provide unique functionality in optical sensing, surface-enhanced Raman scattering (SERS), and optical trapping. The first design is based on a coupling system involving double-layered metal nano-strips arrays. This system has the advantages of simple geometry and direct integration with microfluidic chips. The intense optical localization due to field coupling within the system can enhance detection sensitivity of target molecules, especially by virtue of the optical trapping of plasmonic nanoparticles. The optical resonant condition is obtained theoretically through analyzing the SPs modes. Numerical modeling based on two-dimensional (2D) finite-difference time-domain (FDTD) is consistent with the theoretical analysis and demonstrates the feasibility of using this system for optical sensing and trapping. In the second design, a gold nano-ring structure is demonstrated to be an effective approach for plasmonic nano-optical tweezers (PNOTs) for trapping metallic nanoparticles. In our demonstration example, we have optimized a device for SERS operation at the wavelength of 785 nm. Three-dimensional (3D) FDTD techniques have been employed to calculate the optical response, and the optical force distribution have been derived using the Maxwell stress tensor (MST) method. Simulation results indicate that the nano-ring produces a maximum trapping potential well of ~32 kBT on a 20 nm gold nanoparticle. The existence of multiple potential well results in a very large active trapping volume of ~106 nm3 for the target particles. Furthermore, the trapped gold nanoparticles further lead to the formation of nano-gaps that offer a near-field enhancement of ~160 times, resulting in an achievable EF of 108 for SERS. In the third design, we propose a concept of all-optical nano-manipulation. We show that target molecules, after being trapped, can be transferred between the trapping sites within a linear array of

  20. Heavy Exotic Molecules

    CERN Document Server

    Liu, Yizhuang

    2016-01-01

    We briefly review the formation of pion-mediated heavy-light exotic molecules with both charm and bottom, under the general strictures of chiral and heavy quark symmetries. The charm isosinglet exotic molecules with $J^{PC}=1^{++}$ binds, which we identify as the reported neutral $X(3872)$. The bottom isotriplet exotic with $J^{PC}=1^{+-}$ binds, and is identified as a mixed state of the reported charged exotics $Z^+_b(10610)$ and $Z^+_b(10650)$. The bound bottom isosinglet molecule with $J^{PC}=1^{++}$ is a possible neutral $X_b(10532)$ to be observed.

  1. Heavy exotic molecules

    Science.gov (United States)

    Liu, Yizhuang; Zahed, Ismail

    We briefly review the formation of pion-mediated heavy-light exotic molecules with both charm and bottom, under the general structures of chiral and heavy quark symmetries. The charm isosinglet exotic molecules with JPC = 1++ binds, which we identify as the reported neutral X(3872). The bottom isotriplet exotic with JPC = 1+1 binds, and is identified as a mixed state of the reported charged exotics Zb+(10610) and Zb-(10650). The bound bottom isosinglet molecule with JPC = 1++ is a possible neutral Xb(10532) to be observed.

  2. Matrix isolation model studies on the radiation-induced transformations of small molecules of astrochemical and atmospheric interest

    Science.gov (United States)

    Feldman, Vladimir I.; Ryazantsev, Sergey V.; Saenko, Elizaveta V.; Kameneva, Svetlana V.; Shiryaeva, Ekaterina S.

    2016-07-01

    The radiation-induced transformations of small molecules at low temperatures play an important role in the interstellar, planetary and atmospheric chemistry. This work presents a review of our recent model studies on the radiation chemistry of relevant molecules in solid noble gas (Ng) matrices, including some preliminary new results. Among the triatomic molecules, water and carbon dioxide were studied in detail. The radiation-induced degradation of isolated H2O yields hydrogen atoms and OH radicals, while oxygen atoms are produced at higher doses. Isolated CO2 molecules are decomposed to yield CO and trapped oxygen atoms. Upon annealing the trapped O and H atoms are mobilized selectively at different temperatures and react with other trapped species. The formation of HCO and HOCO radicals was observed in the mixed H2O/CO2/Ng systems. Other studies were concerned with the radiation-induced degradation of simple organic molecules (methanol, formic acid) and chlorofluorocarbons (CFCl3, CF2Cl2). Preliminary results for methanol revealed deep dehydrogenation yielding HCO and CO, whereas CO2, CO and HOCO were detected as primary products for formic acid. In the case of chlorofluorocarbons, significance of ionic channels was demonstrated. The implications of the results for modeling the processes in astrochemical ices and atmosphere are discussed.

  3. Use of a cocktail of spin traps for fingerprinting large range of free radicals in biological systems.

    Science.gov (United States)

    Marchand, Valérie; Charlier, Nicolas; Verrax, Julien; Buc-Calderon, Pedro; Levêque, Philippe; Gallez, Bernard

    2017-01-01

    It is well established that the formation of radical species centered on various atoms is involved in the mechanism leading to the development of several diseases or to the appearance of deleterious effects of toxic molecules. The detection of free radical is possible using Electron Paramagnetic Resonance (EPR) spectroscopy and the spin trapping technique. The classical EPR spin-trapping technique can be considered as a "hypothesis-driven" approach because it requires an a priori assumption regarding the nature of the free radical in order to select the most appropriate spin-trap. We here describe a "data-driven" approach using EPR and a cocktail of spin-traps. The rationale for using this cocktail was that it would cover a wide range of biologically relevant free radicals and have a large range of hydrophilicity and lipophilicity in order to trap free radicals produced in different cellular compartments. As a proof-of-concept, we validated the ability of the system to measure a large variety of free radicals (O-, N-, C-, or S- centered) in well characterized conditions, and we illustrated the ability of the technique to unambiguously detect free radical production in cells exposed to chemicals known to be radical-mediated toxic agents.

  4. 1985-86 Trapping Proposal

    Data.gov (United States)

    US Fish and Wildlife Service, Department of the Interior — This Annual Trapping Plan for the 1985-1986 trapping season at Clarence Cannon NWR outlines rules and regulations for the trapping of beaver and muskrat on the...

  5. Trapping cold ground state argon atoms.

    Science.gov (United States)

    Edmunds, P D; Barker, P F

    2014-10-31

    We trap cold, ground state argon atoms in a deep optical dipole trap produced by a buildup cavity. The atoms, which are a general source for the sympathetic cooling of molecules, are loaded in the trap by quenching them from a cloud of laser-cooled metastable argon atoms. Although the ground state atoms cannot be directly probed, we detect them by observing the collisional loss of cotrapped metastable argon atoms and determine an elastic cross section. Using a type of parametric loss spectroscopy we also determine the polarizability of the metastable 4s[3/2](2) state to be (7.3±1.1)×10(-39)  C m(2)/V. Finally, Penning and associative losses of metastable atoms in the absence of light assisted collisions, are determined to be (3.3±0.8)×10(-10)  cm(3) s(-1).

  6. Carbonyl trapping and antiglycative activities of olive oil mill wastewater.

    Science.gov (United States)

    Navarro, Marta; Fiore, Alberto; Fogliano, Vincenzo; Morales, Francisco J

    2015-02-01

    The use of natural compounds as antiglycative agents to reduce the load of advanced glycation end products from diet is very promising. Olive mill wastewater is a by-product of the olive oil extraction processes with a high content of hydroxytyrosol, hydroxytyrosol derivatives and molecules containing o-dihydroxyl functions such as verbascoside. Two powders were obtained after the ultrafiltration and nanofiltration of olive mill wastewater, and successive spray drying with maltodextrin and acacia fiber. The samples were characterized by phenolic composition and antioxidant capacity. Antiglycative capacity was evaluated by in vitro BSA-glucose and BSA-methylglyoxal assays, formation of Amadori products and direct trapping of reactive dicarbonyls (methylglyoxal and glyoxal). Both ultrafiltered and nanofiltered olive mill wastewater powders had an activity comparable to quercetin and hydroxytyrosol against the inhibition of protein glycation (IC50 = 0.3 mg mL(-1)). The antiglycative activity of the powder was further investigated after separation by reverse phase solid extraction. Fractions extracted with the methanol content higher than 40% and rich in hydroxytyrosol and verbascoside exerted the highest reactivity against dicarbonyls. Data confirmed that the direct trapping of dicarbonyl compounds is the main route explaining the antiglycative action rather than of the already known antioxidant capacity. Results support further investigations to evaluate the technological feasibility to use olive mill wastewater powders as antiglycative ingredients in foods or in pharmacological preparations in future.

  7. Optical tweezers for free-solution label-free single bio-molecule studies

    Science.gov (United States)

    Kotnala, Abhay; Al-Balushi, Ahmed A.; Gordon, Reuven

    2014-09-01

    Nanoaperture based trapping has developed as a significant tool among the various optical tweezer systems for trapping of very small particles down to the single nanometer range. The double nanohole aperture based trap provides a method for efficient, highly-sensitive, label-free, low-cost, free-solution single molecule trapping and detection. We use the double nanohole tweezer to understand biomolecular phenomena like protein unfolding, binding, structural conformation of DNA, protein-DNA interactions, and protein small molecule interactions.

  8. Nematode-Trapping Fungi.

    Science.gov (United States)

    Jiang, Xiangzhi; Xiang, Meichun; Liu, Xingzhong

    2017-01-01

    Nematode-trapping fungi are a unique and intriguing group of carnivorous microorganisms that can trap and digest nematodes by means of specialized trapping structures. They can develop diverse trapping devices, such as adhesive hyphae, adhesive knobs, adhesive networks, constricting rings, and nonconstricting rings. Nematode-trapping fungi have been found in all regions of the world, from the tropics to Antarctica, from terrestrial to aquatic ecosystems. They play an important ecological role in regulating nematode dynamics in soil. Molecular phylogenetic studies have shown that the majority of nematode-trapping fungi belong to a monophyletic group in the order Orbiliales (Ascomycota). Nematode-trapping fungi serve as an excellent model system for understanding fungal evolution and interaction between fungi and nematodes. With the development of molecular techniques and genome sequencing, their evolutionary origins and divergence, and the mechanisms underlying fungus-nematode interactions have been well studied. In recent decades, an increasing concern about the environmental hazards of using chemical nematicides has led to the application of these biological control agents as a rapidly developing component of crop protection.

  9. Diffusion and infrared properties of molecules in ice mantles

    Science.gov (United States)

    Schmitt, Bernard; Grim, Ruud; Greenberg, J. Mayo

    1989-01-01

    Within dense molecular clouds the formation of frozen icy mantles on interstellar dust grains is thought to be the result of various growth conditions. The molecules, which make up the ice mantles are probably completely mixed. To study the physical properties of such ice mixtures the experiments were performed on the evaporation processes and on the spectroscopic properties of CO, CO2, and CH4 in water rich ices. The decrease in concentration of volatile molecules in ice samples deposited at 10 K and subsequently heated is found to occur essentially in two steps. The first one, corresponding to an evaporation of part of the volatile molecules, starts at about 25 K for CO, 32 K for CH4, and 70 K for CO2. During the crystallization of H2O ice at temperatures greater than 120 K a second evaporation occurs leading to the complete disappearance of the volatile molecules in the solid phase. The main astrophysical implications of the diffusion and spectroscopic behaviors are presented. The possible effects of a heating source on the fraction of volatile molecules, such as CO trapped in grain mantles, are discussed.

  10. Towards understanding the hydrogen molecule in ZnO

    Science.gov (United States)

    Koch, S. G.; Lavrov, E. V.; Weber, J.

    2014-11-01

    The hydrogen molecule H2 (or "hidden" hydrogen) in ZnO is studied by Raman scattering spectroscopy. It is shown that H2 is practically a free rotator stable up to 700 ∘C , which is formed by two mobile interstitial hydrogen atoms. The concentration profile of the hydrogen molecule anticorrelates with hydrogen substituting for oxygen (HO) created at the sample surface during the high temperature hydrogenation. The H2 dissociation at elevated temperatures in the bulk regenerates interstitial (HBC) hydrogen, whereas the formation of HO and hydrogen out-diffusion are dominant decay channels of the molecule near the surface. The latter mechanisms are responsible for the lower stability of H2 in the subsurface region. An ortho-para conversion between the nuclear spin states 1 and 0 of the molecule at 79 K was found to occur within 7.5 h, whereas the back conversion at room temperature occurs faster than 0.5 h. A shift in frequency of the H2 local vibrational mode with annealing time and temperature is associated with the thermal anneal of lattice imperfections. The coupling of transitions between rotational states of the molecule and lattice phonons influences the ro-vibrational properties. Interstitial lattice sites and/or larger vacancy clusters are preferred trapping centers for H2 in ZnO.

  11. EPR spin trapping of protein radicals

    DEFF Research Database (Denmark)

    Davies, Michael Jonathan; Hawkins, Clare Louise

    2004-01-01

    Electron paramagnetic resonance (EPR) spin trapping was originally developed to aid the detection of low-molecular-mass radicals formed in chemical systems. It has subsequently found widespread use in biology and medicine for the direct detection of radical species formed during oxidative stress ...... examples of radical formation on proteins....

  12. Explaining the Noble Gas Content of the Planets: Theoretical Models for Argon-Trapping by Amorphous Ices in the Solar Nebula

    Science.gov (United States)

    Sanders, C. B.; Ciesla, F.

    2014-12-01

    The composition of planets in the modern solar system can be traced to the chemistry and physics of the solar nebula, the diffuse disk of gas and dust that surrounded the young sun immediately after its formation. Materials such as the noble gases were too volatile to be chemically incorporated by planetary embryos. Instead, it is likely that they were trapped physically and transported to the inner planets by migrating comets and planetesimals. One trapping mechanism under consideration is the capture of noble gas atoms in amorphous ices on the surface of cold grains. We created a simple numerical model to explore this mechanism, using argon as a representative volatile gas. We have demonstrated that our model reproduces experimental trapping efficiencies (ratio of the volatile atoms to water molecules in the deposited ice) when we constrain the binding energy of our representative volatile to 3500-5500K and the sticking efficiency of volatile atoms to 0.004x gas phase water pressure. Binding energy and sticking efficiency are poorly understood for most volatile substances, but this study finds that they are among the most critical when predicting the trapping of volatiles in the physical world. Constraining these parameters under nebular conditions will allow us to evaluate how much argon could have been trapped in nebular ices and ultimately assess the role of amorphous ice trapping in the origin of planetary volatiles.

  13. Carbon Dioxide Activation by Scandium Atoms and Scandium Monoxide Molecules: Formation and Spectroscopic Characterization of ScCO3 and OCScCO3 in Solid Neon.

    Science.gov (United States)

    Zhang, Qingnan; Qu, Hui; Chen, Mohua; Zhou, Mingfei

    2016-01-28

    The reactions of carbon dioxide with scandium monoxide molecules and scandium atoms are investigated using matrix isolation infrared spectroscopy in solid neon. The species formed are identified by the effects of isotopic substitution on their infrared spectra as well as density functional calculations. The results show that the ground state ScO molecule reacts with carbon dioxide to form the carbonate complex ScCO3 spontaneously on annealing. The ground state Sc atom reacts with two carbon dioxide molecules to give the carbonate carbonyl complex OCScCO3 via the previously reported OScCO insertion intermediate on annealing. The observation of these spontaneous reactions is consistent with theoretical predictions that both the Sc + 2CO2 → OCScCO3 and ScO + CO2 → ScCO3 reactions are thermodynamically exothermic and are kinetically facile, requiring little or no activation energy.

  14. Experimental apparatus to test air trap valves

    Science.gov (United States)

    Lemos De Lucca, Y. de F.; de Aquino, G. A.; Filho, J. G. D.

    2010-08-01

    It is known that the presence of trapped air within water distribution pipes can lead to irregular operation or even damage to the distribution systems and their components. The presence of trapped air may occur while the pipes are being filled with water, or while the pumping systems are in operation. The formation of large air pockets can produce the water hammer phenomenon, the instability and the loss of pressure in the water distribution networks. As a result, it can overload the pumps, increase the consumption of electricity, and damage the pumping system. In order to avoid its formation, all of the trapped air should be removed through "air trap valves". In Brazil, manufacturers frequently have unreliable sizing charts, which cause malfunctioning of the "air trap valves". The result of these malfunctions causes accidents of substantial damage. The construction of a test facility will provide a foundation of technical information that will be used to help make decisions when designing a system of pipelines where "air trap valves" are used. To achieve this, all of the valve characteristics (geometric, mechanic, hydraulic and dynamic) should be determined. This paper aims to describe and analyze the experimental apparatus and test procedure to be used to test "air trap valves". The experimental apparatus and test facility will be located at the University of Campinas, Brazil at the College of Civil Engineering, Architecture, and Urbanism in the Hydraulics and Fluid Mechanics laboratory. The experimental apparatus will be comprised of various components (pumps, steel pipes, butterfly valves to control the discharge, flow meter and reservoirs) and instrumentation (pressure transducers, anemometer and proximity sensor). It should be emphasized that all theoretical and experimental procedures should be defined while taking into consideration flow parameters and fluid properties that influence the tests.

  15. Experimental apparatus to test air trap valves

    Energy Technology Data Exchange (ETDEWEB)

    Lemos De Lucca, Y de F [CTH-DAEE-USP/FAAP/UNICAMP (Brazil); Aquino, G A de [SABESP/UNICAMP (Brazil); Filho, J G D, E-mail: yvone.lucca@gmail.co [Water Resources Department, University of Campinas-UNICAMP, Av. Albert Einstein, 951, Cidade Universitaria-Barao Geraldo-Campinas, S.P., 13083-852 (Brazil)

    2010-08-15

    It is known that the presence of trapped air within water distribution pipes can lead to irregular operation or even damage to the distribution systems and their components. The presence of trapped air may occur while the pipes are being filled with water, or while the pumping systems are in operation. The formation of large air pockets can produce the water hammer phenomenon, the instability and the loss of pressure in the water distribution networks. As a result, it can overload the pumps, increase the consumption of electricity, and damage the pumping system. In order to avoid its formation, all of the trapped air should be removed through 'air trap valves'. In Brazil, manufacturers frequently have unreliable sizing charts, which cause malfunctioning of the 'air trap valves'. The result of these malfunctions causes accidents of substantial damage. The construction of a test facility will provide a foundation of technical information that will be used to help make decisions when designing a system of pipelines where 'air trap valves' are used. To achieve this, all of the valve characteristics (geometric, mechanic, hydraulic and dynamic) should be determined. This paper aims to describe and analyze the experimental apparatus and test procedure to be used to test 'air trap valves'. The experimental apparatus and test facility will be located at the University of Campinas, Brazil at the College of Civil Engineering, Architecture, and Urbanism in the Hydraulics and Fluid Mechanics laboratory. The experimental apparatus will be comprised of various components (pumps, steel pipes, butterfly valves to control the discharge, flow meter and reservoirs) and instrumentation (pressure transducers, anemometer and proximity sensor). It should be emphasized that all theoretical and experimental procedures should be defined while taking into consideration flow parameters and fluid properties that influence the tests.

  16. Laser cooling and trapping of YO

    Science.gov (United States)

    Ding, Shiqian; Collopy, Alejandra; Wu, Yewei; Chae, Eunmi; Ravi, Aakash; Anderegg, Loic; Augenbraun, Benjamin; Doyle, John; Ye, Jun

    2016-05-01

    Using microwave mixing of rotational states and only two vibrational repump lasers, we implement a cycling transition in the yttrium (II) monoxide (YO) molecule that is closed to the 106 level. With this cycling transition, a beam of YO from a two-stage cryogenic buffer gas cell is decelerated by the slowing lasers with broadband modulation and frequency chirping. The resulting decelerated molecules (less than 10 m/s) are slow enough to be loaded into a magneto-optical trap. We present progress towards loading into our radio frequency (5 MHz) MOT.

  17. Microfabricated Waveguide Atom Traps.

    Energy Technology Data Exchange (ETDEWEB)

    Jau, Yuan-Yu

    2017-09-01

    A nano - scale , microfabricated waveguide structure can in - principle be used to trap atoms in well - defined locations and enable strong photon - atom interactions . A neutral - atom platf orm based on this microfabrication technology will be pre - aligned , which is especially important for quantum - control applications. At present, there is still no reported demonstration of evanescent - field atom trapping using a microfabricated waveguide structure. We described the capabilities established by our team for future development of the waveguide atom - trapping technology at SNL and report our studies to overcome the technical challenges of loading cold atoms into the waveguide atom traps, efficient and broadband optical coupling to a waveguide, and the waveguide material for high - power optical transmission. From the atomic - physics and the waveguide modeling, w e have shown that a square nano - waveguide can be utilized t o achieve better atomic spin squeezing than using a nanofiber for first time.

  18. Selective trapping of hydrogen plasma in mirror machine

    Science.gov (United States)

    Be'Ery, Ilan; Seemann, Omri; Fruchtman, Amnon; Fisher, Amnon; Ron, Amiram

    2013-10-01

    When ablation plasma, consisting mostly of hydrogen and carbon ions and neutral, is injected through the throat of a mirror machine, pure hydrogen plasma is observed to accumulate inside the mirror trap. In this work we study the formation of magnetized plasma beam, the scattering out of the loss cone, and the plasma decay in the mirror trap. The selective accumulation of hydrogen ions is shown to be a result of the difference in the magnetic channeling through a limiter and of difference in scattering probabilities into the trapped regions of phase space. The accumulation of plasma in the trap is limited by centrifugal drift instability, convecting plasma to the walls.

  19. Chiral discrimination in optical trapping and manipulation

    Science.gov (United States)

    Bradshaw, David S.; Andrews, David L.

    2014-10-01

    When circularly polarized light interacts with chiral molecules or nanoscale particles powerful symmetry principles determine the possibility of achieving chiral discrimination, and the detailed form of electrodynamic mechanisms dictate the types of interaction that can be involved. The optical trapping of molecules and nanoscale particles can be described in terms of a forward-Rayleigh scattering mechanism, with trapping forces being dependent on the positioning within the commonly non-uniform intensity beam profile. In such a scheme, nanoparticles are commonly attracted to local potential energy minima, ordinarily towards the centre of the beam. For achiral particles the pertinent material response property usually entails an electronic polarizability involving transition electric dipole moments. However, in the case of chiral molecules, additional effects arise through the engagement of magnetic counterpart transition dipoles. It emerges that, when circularly polarized light is used for the trapping, a discriminatory response can be identified between left- and right-handed polarizations. Developing a quantum framework to accurately describe this phenomenon, with a tensor formulation to correctly represent the relevant molecular properties, the theory leads to exact analytical expressions for the associated energy landscape contributions. Specific results are identified for liquids and solutions, both for isotropic media and also where partial alignment arises due to a static electric field. The paper concludes with a pragmatic analysis of the scope for achieving enantiomer separation by such methods.

  20. Search For Trapped Antihydrogen

    CERN Document Server

    Andresen, Gorm B; Baquero-Ruiz, Marcelo; Bertsche, William; Bowe, Paul D; Bray, Crystal C; Butler, Eoin; Cesar, Claudio L; Chapman, Steven; Charlton, Michael; Fajans, Joel; Friesen, Tim; Fujiwara, Makoto C; Gill, David R; Hangst, Jeffrey S; Hardy, Walter N; Hayano, Ryugo S; Hayden, Michael E; Humphries, Andrew J; Hydomako, Richard; Jonsell, Svante; Jørgensen, Lars V; Kurchaninov, Lenoid; Lambo, Ricardo; Madsen, Niels; Menary, Scott; Nolan, Paul; Olchanski, Konstantin; Olin, Art; Povilus, Alexander; Pusa, Petteri; Robicheaux, Francis; Sarid, Eli; Nasr, Sarah Seif El; Silveira, Daniel M; So, Chukman; Storey, James W; Thompson, Robert I; van der Werf, Dirk P; Wilding, Dean; Wurtele, Jonathan S; Yamazaki, Yasunori

    2011-01-01

    We present the results of an experiment to search for trapped antihydrogen atoms with the ALPHA antihydrogen trap at the CERN Antiproton Decelerator. Sensitive diagnostics of the temperatures, sizes, and densities of the trapped antiproton and positron plasmas have been developed, which in turn permitted development of techniques to precisely and reproducibly control the initial experimental parameters. The use of a position-sensitive annihilation vertex detector, together with the capability of controllably quenching the superconducting magnetic minimum trap, enabled us to carry out a high-sensitivity and low-background search for trapped synthesised antihydrogen atoms. We aim to identify the annihilations of antihydrogen atoms held for at least 130 ms in the trap before being released over ~30 ms. After a three-week experimental run in 2009 involving mixing of 10^7 antiprotons with 1.3 10^9 positrons to produce 6 10^5 antihydrogen atoms, we have identified six antiproton annihilation events that are consist...

  1. Microfabricated cylindrical ion trap

    Science.gov (United States)

    Blain, Matthew G.

    2005-03-22

    A microscale cylindrical ion trap, having an inner radius of order one micron, can be fabricated using surface micromachining techniques and materials known to the integrated circuits manufacturing and microelectromechanical systems industries. Micromachining methods enable batch fabrication, reduced manufacturing costs, dimensional and positional precision, and monolithic integration of massive arrays of ion traps with microscale ion generation and detection devices. Massive arraying enables the microscale cylindrical ion trap to retain the resolution, sensitivity, and mass range advantages necessary for high chemical selectivity. The microscale CIT has a reduced ion mean free path, allowing operation at higher pressures with less expensive and less bulky vacuum pumping system, and with lower battery power than conventional- and miniature-sized ion traps. The reduced electrode voltage enables integration of the microscale cylindrical ion trap with on-chip integrated circuit-based rf operation and detection electronics (i.e., cell phone electronics). Therefore, the full performance advantages of microscale cylindrical ion traps can be realized in truly field portable, handheld microanalysis systems.

  2. A broad-Band FT-ICR Penning TRap System for KATRIN

    CERN Document Server

    Ubieto-Diaz, M; Lukic, S; Nagy, Sz; Stahl, S; Blaum, K

    2009-01-01

    The KArlsruhe TRItium Neutrino experiment KATRIN aims at improving the upper limit of the mass of the electron antineutrino to about 0.2 eV (90% c.l.) by investigating the beta-decay of tritium gas molecules. The experiment is currently under construction to start first data taking in 2012. One source of systematic uncertainties in the KATRIN experiment is the formation of ion clusters when tritium decays and decay products interact with residual tritium molecules. It is essential to monitor the abundances of these clusters since they have different final state energies than tritium ions. For this purpose, a prototype of a cylindrical Penning trap has been constructed and tested at the Max-Planck-Institute for Nuclear Physics in Heidelberg, which will be installed in the KATRIN beam line. This system employs the technique of Fourier-Transform Ion-Cyclotron-Resonance in order to measure the abundances of the different stored ion species.

  3. Evidence for the formation of acyclic ions from the radical cations and cyclic ions from the protonated molecules of ¿,¿-diamines upon loss of ammonia

    NARCIS (Netherlands)

    Fernandes, Ana M.; Correia, A.J. Ferrer; Fokkens, R.H.; Nibbering, N.M.M.

    2002-01-01

    The structural characterization of the ions generated by the electron ionization-induced loss of ammonia from the molecular ions of α,ω-diamines, using ion/molecule reactions in combination with collision-induced dissociation (CID) studies, is described. The results of the experiments of

  4. Atkins' molecules

    CERN Document Server

    Atkins, Peters

    2003-01-01

    Originally published in 2003, this is the second edition of a title that was called 'the most beautiful chemistry book ever written'. In it, we see the molecules responsible for the experiences of our everyday life - including fabrics, drugs, plastics, explosives, detergents, fragrances, tastes, and sex. With engaging prose Peter Atkins gives a non-technical account of an incredible range of aspects of the world around us, showing unexpected connections, and giving an insight into how this amazing world can be understood in terms of the atoms and molecules from which it is built. The second edition includes dozens of extra molecules, graphical presentation, and an even more accessible and enthralling account of the molecules themselves.

  5. Enumerating molecules.

    Energy Technology Data Exchange (ETDEWEB)

    Visco, Donald Patrick, Jr. (, . Tennessee Technological University, Cookeville, TN); Faulon, Jean-Loup Michel; Roe, Diana C.

    2004-04-01

    This report is a comprehensive review of the field of molecular enumeration from early isomer counting theories to evolutionary algorithms that design molecules in silico. The core of the review is a detail account on how molecules are counted, enumerated, and sampled. The practical applications of molecular enumeration are also reviewed for chemical information, structure elucidation, molecular design, and combinatorial library design purposes. This review is to appear as a chapter in Reviews in Computational Chemistry volume 21 edited by Kenny B. Lipkowitz.

  6. One and Two Photon Excitation of Radiofrequency Trapped Ca+

    Institute of Scientific and Technical Information of China (English)

    C. Zumsteg; C. Champenois; D. Guyomarc'h; G. Hagel; M. Houssin; M. Knoop

    2009-01-01

    Radiofrequency (rf) trapped ions are versatile candidates for a large panel of applications ranging from quantum information to the creation of cold molecules. Sample size can range from a single to 106 ions, and the internal and external energy states of the atoms can be controlled with high precision. In the experiment, we focus on different protocols related to frequency metrology using rf trapped Ca+.

  7. Ion trapping in the high-energy storage ring HESR

    Energy Technology Data Exchange (ETDEWEB)

    Hinterberger, Frank [Bonn Univ. (Germany). Helmholtz-Institut fuer Strahlen- und Kernphysik

    2011-10-15

    The problem of ion trapping in the high-energy storage ring HESR is studied in the present report. Positive ions are trapped in the negative potential well of the antiproton beam. The ions are produced by the interaction between the antiproton beam and the residual gas. The adverse effects of ion trapping like tune shifts, tune spreads and coherent instabilities are reviewed. The ion production rate by ionization of the residual gas molecules is estimated. The negative potential well and the corresponding electric fields of the antiproton beam are evaluated in order to study the transverse and longitudinal motion of the ions and the accumulation in trapping pockets. The removal of ions can be achieved using clearing electrodes and under certain conditions resonant transverse beam shaking. Diagnostic tools and measurements of trapped ion effects are sketched. (orig.)

  8. Fuel traps: mapping stability via water association.

    Energy Technology Data Exchange (ETDEWEB)

    Rempe, Susan L.; Clawson, Jacalyn S.; Greathouse, Jeffery A.; Alam, Todd M; Leung, Kevin; Varma, Sameer; Sabo, Dubravko; Martin, Marcus Gary; Cygan, Randall Timothy

    2007-03-01

    Hydrogen storage is a key enabling technology required for attaining a hydrogen-based economy. Fundamental research can reveal the underlying principles controlling hydrogen uptake and release by storage materials, and also aid in characterizing and designing novel storage materials. New ideas for hydrogen storage materials come from exploiting the properties of hydrophobic hydration, which refers to water s ability to stabilize, by its mode of association, specific structures under specific conditions. Although hydrogen was always considered too small to support the formation of solid clathrate hydrate structures, exciting new experiments show that water traps hydrogen molecules at conditions of low temperatures and moderate pressures. Hydrogen release is accomplished by simple warming. While these experiments lend credibility to the idea that water could form an environmentally attractive alternative storage compound for hydrogen fuel, which would advance our nation s goals of attaining a hydrogen-based economy, much work is yet required to understand and realize the full potential of clathrate hydrates for hydrogen storage. Here we undertake theoretical studies of hydrogen in water to establish a firm foundation for predictive work on clathrate hydrate H{sub 2} storage capabilities. Using molecular simulation and statistical mechanical theories based in part on quantum mechanical descriptions of molecular interactions, we characterize the interactions between hydrogen and liquid water in terms of structural and thermodynamic properties. In the process we validate classical force field models of hydrogen in water and discover new features of hydrophobic hydration that impact problems in both energy technology and biology. Finally, we predict hydrogen occupancy in the small and large cages of hydrogen clathrate hydrates, a property unresolved by previous experimental and theoretical work.

  9. Micro-Kelvin cold molecules.

    Energy Technology Data Exchange (ETDEWEB)

    Strecker, Kevin E.; Chandler, David W.

    2009-10-01

    We have developed a novel experimental technique for direct production of cold molecules using a combination of techniques from atomic optical and molecular physics and physical chemistry. The ability to produce samples of cold molecules has application in a broad spectrum of technical fields high-resolution spectroscopy, remote sensing, quantum computing, materials simulation, and understanding fundamental chemical dynamics. Researchers around the world are currently exploring many techniques for producing samples of cold molecules, but to-date these attempts have offered only limited success achieving milli-Kelvin temperatures with low densities. This Laboratory Directed Research and Development project is to develops a new experimental technique for producing micro-Kelvin temperature molecules via collisions with laser cooled samples of trapped atoms. The technique relies on near mass degenerate collisions between the molecule of interest and a laser cooled (micro-Kelvin) atom. A subset of collisions will transfer all (nearly all) of the kinetic energy from the 'hot' molecule, cooling the molecule at the expense of heating the atom. Further collisions with the remaining laser cooled atoms will thermally equilibrate the molecules to the micro-Kelvin temperature of the laser-cooled atoms.

  10. Analysis of VX on soil particles using ion trap secondary ion mass spectrometry.

    Science.gov (United States)

    Groenewold, G S; Appelhans, A D; Gresham, G L; Olson, J E; Jeffery, M; Wright, J B

    1999-07-01

    The direct detection of the nerve agent VX (methylphosphonothioic acid, S-[2-[bis(1-methylethyl)amino]ethyl] O-ethyl ester) on milligram quantities of soil particles has been achieved using ion trap secondary ion mass spectrometry (IT-SIMS). VX is highly adsorptive toward a wide variety of surfaces; this attribute makes detection using gas-phase approaches difficult but renders the compound very amenable to surface detection. An ion trap mass spectrometer, modified to perform SIMS, was employed in the present study. A primary ion beam (ReO4-) was fired on axis through the ion trap, where it impacted the soil particle samples. [VX + H]+, [VX + H]+ fragment ions, and ions from the chemical background were sputtered into the gas-phase environment of the ion trap, where they were either scanned out or isolated and fragmented (MS2). At a surface concentration of 0.4 monolayer, intact [VX + H]+, and its fragment ions, were readily observable above background. However, at lower concentrations, the secondary ion signal from VX became obscured by ions derived from the chemical background on the surface of the soil particles. MS2 analysis using the ion trap was employed to improve detection of lower concentrations of VX: detection of the 34S isotopic ion of [VX + H]+, present at a surface concentration of approximately 0.002 monolayer, was accomplished. The study afforded the opportunity to investigate the fragmentation chemistry of VX. Semiempirical calculations suggest strongly that the molecule is protonated at the N atom. Deuterium labeling showed that formation of the base peak ion (C2H4)N(i-C3H7)2+ involves transfer of the amino proton to the phosphonothioate moiety prior to, or concurrent with, C-S bond cleavage. To manage the risk associated with working with the compound, the vacuum unit of the IT-SIMS was located in a hood, connected by cables to the externally located electronics and computer.

  11. Evidence for chemical bond formation at rubber-brass interface: Photoelectron spectroscopy study of bonding interaction between copper sulfide and model molecules of natural rubber

    Science.gov (United States)

    Ozawa, Kenichi; Mase, Kazuhiko

    2016-12-01

    Strong adhesion between rubber and brass has been considered to arise mainly from the mechanical interaction, which is characterized by dendritic interlocking at the interface. In order to examine a possible contribution of the chemical interaction, chemical state analysis was carried out for model molecules of natural rubber (2-methyl-2-butene and isoprene) adsorbed on Cu2S, a key chemical species for adhesion, by means of photoelectron spectroscopy (PES). Absence of a C 1s PES component associated with C=C bonds and the appearance of adsorption-induced components in the S 2p region indicate that the molecules interact with the Cu2S surface via the C=C bond to form C-S covalent bonds. This proves that the chemical interaction certainly plays a role in rubber-brass adhesion along with the mechanical interaction.

  12. Silane activation by laser-ablated Be atoms: Formation of HBeSiH3 and HBe(μ-H)3Si molecules

    Science.gov (United States)

    Zhao, Jie; Yu, Wenjie; Xu, Bing; Huang, Tengfei; Wang, Xuefeng

    2017-03-01

    Laser-ablated beryllium atoms have been reacted with silane molecules during condensation in excess neon and argon at 4 K. Absorptions due to HBeSiH3 and HBe(μ-H)3Si were observed and identified on the basis of isotopic IR spectroscopy, deuterium substitution with SiD4, and quantum chemical frequency calculations. The observed results show excited Be atom (1P1:2s12p1) can insert into Sisbnd H bond spontaneously and the insertion product rearranges to HBe(μ-H)3Si upon photolysis. The electron localization function (ELF) analysis suggests that 3c-2e hydrogen bridge bond (Besbnd Hsbnd Si) was formed by the donation of electrons for Sisbnd H σ bond to the empty p orbital of Be atom for HBe(μ-H)3Si molecule, which shows much difference from Csbnd H bond complexes.

  13. Integrated magneto-optical traps on a chip

    CERN Document Server

    Pollock, S; Laliotis, A; Hinds, E A

    2009-01-01

    We have integrated magneto-optical traps (MOTs) into an atom chip by etching pyramids into a silicon wafer. These have been used to trap atoms on the chip, directly from a room temperature vapor of rubidium. This new atom trapping method provides a simple way to integrate several atom sources on the same chip. It represents a substantial advance in atom chip technology and offers new possibilities for atom chip applications such as integrated single atom or photon sources and molecules on a chip.

  14. A New Perspective on Trapped Radiation Belts in Planetary Atmospheres

    Science.gov (United States)

    Diaz, A.; Lodhi, M. A. K.; Wilson, T. L.

    2005-01-01

    The charged particle fluxes trapped in the magnetic dipole fields of certain planets in our Solar System are interesting signatures of planetary properties in space physics. They also represent a source of potentially hazardous radiation to spacecraft during planetary and interplanetary exploration. The Earth s trapped radiation belts have been studied for years and the physical mechanisms by which primary radiation from the Sun and Galaxy is captured is well understood. The higher-energy particles collide with molecules in the planetary atmosphere and initiate large cascades of secondary radiation which itself becomes trapped by the magnetic dipole field of the planet. Some of it is even backscattered as albedo neutrons.

  15. Formation of KrCl * and ArCl * molecules and radiative lifetimes of their B states investigated with selective synchrotron radiation excitation

    Science.gov (United States)

    Castex, M. C.; Le Calvé, J.; Haaks, D.; Jordan, B.; Zimmerer, G.

    1980-02-01

    Monochromatic pulsed VUV excitation of Cl 2 or inert gas atoms in Cl 2 doped Kr and Ar leads to formation of KrCl * and ArCl *. The radiative lifetimes of the B states (KrCl * 19 ns, ArCl * 9 ns) and rate constants for excimer formation, quenching and collisional mixing of B and C states are given. The radiative lifetime and the quenching rate increase with vibrational excitation of the B state (KrCl *).

  16. Wigner crystallization of electrons in deep traps in a two-dimensional dielectric

    Energy Technology Data Exchange (ETDEWEB)

    Shaimeev, S. S., E-mail: shaimeev@isp.nsc.ru; Gritsenko, V. A. [Institute of Semiconductor Physics (Russian Federation)

    2011-03-15

    A two-dimensional model is used to examine the spatial distribution of electrons in deep traps in a two-dimensional dielectric. When the trap concentration is much higher than the trapped electron concentration, Coulomb repulsion leads to the formation of a two-dimensional quasi-periodic hexagonal lattice of localized electrons (Wigner glass).

  17. Hydrogen molecules in semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Weber, Joerg [Technische Universitaet Dresden, 01062 Dresden (Germany)], E-mail: joerg.weber@tu-dresden.de; Hiller, Martin; Lavrov, Edward V. [Technische Universitaet Dresden, 01062 Dresden (Germany)

    2007-12-15

    Molecular hydrogen, the simplest of all molecules, allows a direct insight into the fundamental properties of quantum mechanics. In the case of H{sub 2}, the Pauli principle leads to two different species, para-H{sub 2} and ortho-H{sub 2}. A conversion between these species is prohibited. Vibrational mode spectra reflect the fundamental properties and allow an unambiguous identification of the H{sub 2} molecules. Today, we have experimental evidence for the trapping of hydrogen molecules in the semiconductors Si, Ge and GaAs at the interstitial sites, within hydrogen-induced platelets, in voids and at impurities (interstitial oxygen in Si). Interstitial H{sub 2} is a nearly free rotor with a surprisingly simple behavior. We review on interstitial H{sub 2} in semiconductors and report on the unexpected preferential disappearance of the para-H{sub 2} or ortho-D{sub 2} species. The origin of the detected ortho-para conversion will be discussed.

  18. 磷脂分子在水中形成不同聚集体的机制探讨%Discussion on mechanism of the formation of different phospholipid molecules aggregates in water

    Institute of Scientific and Technical Information of China (English)

    薛士兴; 王向涛; 李永吉

    2012-01-01

    Phospholipid molecules are the basic composition of life, which possesses amphiphilic molecular structure and biological homology. The self-assembly aggregates of liposomes is widely used in drug delivery systems. However, the structure of the phospholipid molecule aggregates in water were diverse, including not only spherical liposomes, but also tubular structures (such as microtubules) . By studying related literature, the mechanism of the formation of different phospholipid molecule aggregates was analyzed and summarized, with focus on the effects of the amphiphilic structure and molecular morphology of the phospholipid molecules on the formation of different self-assembly aggregates. This discussion may have important theoretical significance for the preparation of phospholipid molecular aggregates.%磷脂分子作为生命体的基本组成物质,既具有两亲性的分子结构,又具有生物同源性,因此,其自组装聚集体-脂质体在药物载体方面得到广泛应用.但磷脂分子在水中形成的聚集体结构多样,不仅有球状的脂质体,还有管状结构(如微管).本文通过研究国内外相关文献,分析、整理和归纳了磷脂分子在水中形成不同聚集体的机制,主要讲述了磷脂分子的两亲性结构、分子形态对形成不同自组装聚集体的影响,对于磷脂分子聚集体的制备具有重要的理论指导意义.

  19. Penning trap at IGISOL

    Energy Technology Data Exchange (ETDEWEB)

    Szerypo, J. E-mail: jerzy.szerypo@phys.jyu.fi; Jokinen, A.; Kolhinen, V.S.; Nieminen, A.; Rinta-Antila, S.; Aeystoe, J

    2002-04-22

    The IGISOL facility at the Department of Physics of the University of Jyvaeskylae (JYFL) is delivering radioactive beams of short-lived exotic nuclei, in particular the neutron-rich isotopes from the fission reaction. These nuclei are studied with the nuclear spectroscopy methods. In order to substantially increase the quality and sensitivity of such studies, the beam should undergo beam handling: cooling, bunching and isobaric purification. The first two processes are performed with the use of an RFQ cooler/buncher. The isobaric purification will be made by a Penning trap placed after the RF-cooler element. This contribution describes the current status of the Penning trap project and its future prospects. The latter comprise the precise nuclear mass measurements, nuclear spectroscopy in the Penning trap interior as well as the laser spectroscopy on the extracted beams.

  20. Trapping molecular ions formed via photo-associative ionization of ultracold atoms

    CERN Document Server

    Sullivan, Scott T; Kotochigova, Svetlana; Chen, Kuang; Schowalter, Steven J; Hudson, Eric R

    2011-01-01

    The formation of $^{40}$Ca$_2^+$ molecular ions is observed in a hybrid $^{40}$Ca magneto-optical and ion trap system. The molecular ion formation process is determined to be two-photon photo-associative ionization of ultracold $^{40}$Ca atoms. A lower bound for the two-body, two-photon rate constant is found to be $\\bar{\\beta} \\geq 2 \\pm 1 \\times 10^{-15}$ cm$^{3}$ Hz. $\\textit{Ab initio}$ molecular potential curves are calculated for the neutral Ca$_2$ and ionic Ca$_2^+$ molecules and used in a model that identifies the photo-associative ionization pathway. As this technique does not require a separate photo-association laser, it could find use as a simple, robust method for producing ultracold, state-selected molecular ions.

  1. Trapping molecular ions formed via photo-associative ionization of ultracold atoms.

    Science.gov (United States)

    Sullivan, Scott T; Rellergert, Wade G; Kotochigova, Svetlana; Chen, Kuang; Schowalter, Steven J; Hudson, Eric R

    2011-11-14

    The formation of (40)Ca(2)(+) molecular ions is observed in a hybrid (40)Ca magneto-optical and ion trap system. The molecular ion formation process is determined to be photo-associative ionization of ultracold (40)Ca atoms. A lower bound for the two-body rate constant is found to be beta ≥ 2 ± 1 × 10(-15) cm(3) Hz. Ab initio molecular potential curves are calculated for the neutral Ca(2) and ionic Ca(2)(+) molecules and used in a model that identifies the photo-associative ionization pathway. As this technique does not require a separate photo-association laser, it could find use as a simple, robust method for producing ultracold molecular ions.

  2. The Reusable Astronomy Portal (TRAP)

    Science.gov (United States)

    Donaldson, T.; Rogers, A.; Wallace, G.

    2012-09-01

    The Reusable Astronomy Portal (TRAP) aims to provide a common platform for rapidly deploying Astronomy Archives to the web. TRAP is currently under development for both the VAO Data Discovery Portal and the MAST Multi-Mission Portal (Figure 1). TRAP consists of 2 major software packages: the TRAP Client and the TRAP Server. The TRAP framework allows developers to deploy the Server, connect to data resources, then focus on building custom tools for the Client. TRAP is built upon proven industry technologies including the Ext/JS JavaScript Component Library, Mono.NET Web Services, and JSON message based APIs. The multi-layered architecture of TRAP decouples each layer: Client, Service and Data Access, enabling each to evolve independently over time. Although currently deployed to provide astronomy science data access, the TRAP architecture is flexible enough to thrive in any distributed data environment.

  3. Neutrophil Extracellular Traps and Microcrystals

    Science.gov (United States)

    2017-01-01

    Neutrophil extracellular traps represent a fascinating mechanism by which PMNs entrap extracellular microbes. The primary purpose of this innate immune mechanism is thought to localize the infection at an early stage. Interestingly, the ability of different microcrystals to induce NET formation has been recently described. Microcrystals are insoluble crystals with a size of 1–100 micrometers that have different composition and shape. Microcrystals have it in common that they irritate phagocytes including PMNs and typically trigger an inflammatory response. This review is the first to summarize observations with regard to PMN activation and NET release induced by microcrystals. Gout-causing monosodium urate crystals, pseudogout-causing calcium pyrophosphate dehydrate crystals, cholesterol crystals associated with atherosclerosis, silicosis-causing silica crystals, and adjuvant alum crystals are discussed. PMID:28373994

  4. Neutrophil Extracellular Traps and Microcrystals.

    Science.gov (United States)

    Rada, Balázs

    2017-01-01

    Neutrophil extracellular traps represent a fascinating mechanism by which PMNs entrap extracellular microbes. The primary purpose of this innate immune mechanism is thought to localize the infection at an early stage. Interestingly, the ability of different microcrystals to induce NET formation has been recently described. Microcrystals are insoluble crystals with a size of 1-100 micrometers that have different composition and shape. Microcrystals have it in common that they irritate phagocytes including PMNs and typically trigger an inflammatory response. This review is the first to summarize observations with regard to PMN activation and NET release induced by microcrystals. Gout-causing monosodium urate crystals, pseudogout-causing calcium pyrophosphate dehydrate crystals, cholesterol crystals associated with atherosclerosis, silicosis-causing silica crystals, and adjuvant alum crystals are discussed.

  5. Neutrophil Extracellular Traps and Microcrystals

    Directory of Open Access Journals (Sweden)

    Balázs Rada

    2017-01-01

    Full Text Available Neutrophil extracellular traps represent a fascinating mechanism by which PMNs entrap extracellular microbes. The primary purpose of this innate immune mechanism is thought to localize the infection at an early stage. Interestingly, the ability of different microcrystals to induce NET formation has been recently described. Microcrystals are insoluble crystals with a size of 1–100 micrometers that have different composition and shape. Microcrystals have it in common that they irritate phagocytes including PMNs and typically trigger an inflammatory response. This review is the first to summarize observations with regard to PMN activation and NET release induced by microcrystals. Gout-causing monosodium urate crystals, pseudogout-causing calcium pyrophosphate dehydrate crystals, cholesterol crystals associated with atherosclerosis, silicosis-causing silica crystals, and adjuvant alum crystals are discussed.

  6. Development of Lattice Trapped Paramagnetic Polar Molecules for Quantum Simulation

    Science.gov (United States)

    2015-06-23

    initiated. We split the output of the fiber amplifier into three parts and sent each through a separate acousto- optic modulator (AOM). The three resultant...DISTRIBUTION UNLIMITED: PB Public Release 13. SUPPLEMENTARY NOTES 14. ABSTRACT We have demonstrated optimized production and spatial manipulation of Li...initiated the optical lattice setup for our experiment and demonstrated its operation in a one-dimensional geometry leading to an array of two-dimensional

  7. Ultracold collisions in a dual species 23Na-133Cs magneto-optical trap%磁光阱中超冷钠-铯原子碰撞的实验研究∗

    Institute of Scientific and Technical Information of China (English)

    徐润东; 刘文良; 武寄洲; 马杰; 肖连团; 贾锁堂

    2016-01-01

    The production and research of ultracold heteronuclear molecules have aroused the great interest recently. On the one hand, these molecules are extremely popular in experiments for exploring the collision dynamic behaviors in threshold, photoassociative spectrum and strong dipole-dipole interactions. On the other hand, ultracold polar molecules populated at deeply bound levels in the singlet ground state are the right candidates to investigate quantum memories for quantum simulation, and to study strongly interacting quantum degenerate gases. The precise knowledge of cold collision processes between two different types of alkali atoms is necessary for understanding and utilizing ultracold heteronuclear molecules, sympathetic cooling, and thus formation of two species BEC. The goal of the present investigation is to study the collisions between ultracold sodium atoms and cesium atoms. We systematically demonstrate simultaneously trapping ultracold sodium and cesium atoms in a dual-species magneto-optical trap (MOT). The sodium atom trap loss rate coefficient βNa-Cs is measured as a function of Na trapping laser intensity. At low intensities, the trap loss is dominated by ground-state hyperfine-changing collisions, while at high intensities, collisions involving excited atoms are more important. A strong interspecies collision-induced loss for Na atoms in the MOT is observed. In order to obtain the trap loss coefficient βNa-Cs, we proceed in two steps. First, the Cs repumping laser is blocked to avoid the formation of ultraold Cs atoms. The loading process of Na atoms is recorded when the Cs trapping laser is on. Second, the loading curves of the Na atoms are obtained as Cs atoms are present with the repumping laser beams. The total losses PNa and P′Na are acquired by fitting the two loading curves of trapped Na atoms. Thus, the trap loss coefficientβNa-Cs can be derived from the difference between total losses PNa and P′Na divided by the density of the Cs

  8. Induction of traps by Ostertagia ostertagi larvae, chlamydospore production and growth rate in the nematode-trapping fungus Duddingtonia flagrans

    DEFF Research Database (Denmark)

    Grønvold, J.; Nansen, P.; Henriksen, S. A.;

    1996-01-01

    Biological control of parasitic nematodes of domestic animals can be achieved by feeding host animals chlamydospores of the nematode-trapping fungus Duddingtonia flagrans. In the host faeces, D. flagrans develop traps that may catch nematode larvae. In experiments on agar, D. flagrans had a growth...... rate between 15 and 60 mm/week at temperatures between 20 and 30 degrees C. The presence of nematodes induces the fungus to produce traps. The rate of trap formation in D. flagrans has an optimum at 30 degrees C, producing 700-800 traps/cm(2)/2 days, when induced by 20 nematodes/cm(2) on agar....... Approaching 10 and 35 degrees C the ability to produce traps is gradually reduced. The response of chlamydospore production on agar to changes in temperature is the same as that for trap formation. On agar, at 10, 20 and 30 degrees C D. flagrans loses its trap inducibility after 2-3 weeks. During the ageing...

  9. Molecules in supernova ejecta

    CERN Document Server

    Cherchneff, Isabelle

    2011-01-01

    The first molecules detected at infrared wavelengths in the ejecta of a Type II supernova, namely SN1987A, consisted of CO and SiO. Since then, confirmation of the formation of these two species in several other supernovae a few hundred days after explosion has been obtained. However, supernova environments appear to hamper the synthesis of large, complex species due to the lack of microscopically-mixed hydrogen deep in supernova cores. Because these environments also form carbon and silicate dust, it is of importance to understand the role played by molecules in the depletion of elements and how chemical species get incorporated into dust grains. In the present paper, we review our current knowledge of the molecular component of supernova ejecta, and present new trends and results on the synthesis of molecules in these harsh, explosive events.

  10. Reactivity of niobium-carbon cluster ions with hydrogen molecules in relation to formation mechanism of Met-Car cluster ions.

    Science.gov (United States)

    Miyajima, Ken; Fukushima, Naoya; Mafuné, Fumitaka

    2008-07-03

    It is known that a niobium-carbon Met-Car cluster ion (Nb 8C 12 (+)) and its intermediates (Nb 4C 4 (+), Nb 6C 7 (+), etc.) are selectively formed by the aggregation of the Nb atoms in the presence of hydrocarbons. To elucidate the formation mechanism, we prepared Nb n C m (+) with every combination of n and m in the gas phase by the laser vaporization technique. The reactivity of Nb n C m (+) with H 2 was examined under the multiple collision condition, finding that Nb n C m (+) between Nb 2C 3 (+) and Nb 8C 12 (+) are not reactive with H 2. On the basis of the H 2 affinity of Nb n C m (+) experimentally obtained, we propose a dehydrogenation-controlled formation mechanism of niobium-carbon Met-Car cluster ions.

  11. 119Sn MAS NMR Study of Probe Molecules Interaction with Sn-BEA: The Origin of Penta- and Hexacoordinated Tin Formation

    DEFF Research Database (Denmark)

    Yakimov, Alexander V.; G. Kolyagin, Yury; Tolborg, Søren

    2016-01-01

    119Sn CPMG MAS NMR was applied to study the adsorption of acetonitrile, methanol, isopropanol, isobutanol and water over Sn-BEA enriched with 119Sn isotope. Two signals observed at ca. -422 and -443 ppm over dehydrated samples were attributed to tetracoordinated framework tin sites with strong...... and weak Lewis acidity, respectively. The adsorption of acetonitrile and methanol resulted in observation of pentacoordinated tin species, due to the formation of 1:1 adsorption complexes over both Sn-sites. Water adsorption led first to formation of pentacoordinated tin species, which were further...... converted into hexacoordinated species at longer reaction times. The latter transformation was found to be kinetically limited and was attributed to chemical interaction of tin sites with water, such as hydrolysis of Si-O-Sn bonds. The adsorption of isopropanol and isobutanol was accompanied...

  12. Formation and emission characteristics of CN molecules in laser induced low pressure He plasma and its applications to N analysis in coal and fossilization study.

    Science.gov (United States)

    Lahna, Kurnia; Idroes, Rinaldi; Idris, Nasrullah; Abdulmadjid, Syahrun Nur; Kurniawan, Koo Hendrik; Tjia, May On; Pardede, Marincan; Kagawa, Kiichiro

    2016-03-01

    Presented in this paper are the results of an experimental study on the laser induced plasma emission of a number of CN free samples (urea, sucrose) with 40 mJ pulse energy using He and N₂ ambient gases. It is shown that the CN emission has its exclusive sources in the molecules produced as the result of chemical bonding either between the ablated C and N ions in the He plasma or between the ablated C and dissociated N from the N₂ ambient gas. The emission intensities in both cases are found to have the highest values at the low gas pressure of 2 kPa. The emission in He gas is shown to exhibit the typical characteristics related to a shockwave generated excitation mechanism. The experiments using He ambient gas further demonstrate the feasible laser-induced breakdown spectroscopy application to quantitative and sensitive N analysis of coal and promising application for practical in situ carbon dating of fossils.

  13. Formation of Polyatomic Molecules on a Dust-Grain Analogue Using Superthermal H and O Atoms: Relevance to Discovery of Circumstellar H2O by Herschel

    Science.gov (United States)

    Madzunkov, S. M.; Chutjian, A.; Darrach, M. R.; MacAskill, J. A.; Ehrenfreund, P.; Vidali, G.

    2011-05-01

    Carbon dioxide (CO2), formaldehyde (H2CO), methanol (CH3OH), ethanol (CH3CH2OH), and formic acid (HCOOH) have been formed in separate measurements involving collisions of superthermal beams of H(2S) atoms and O(3P) atoms with CO and CH4 molecules adsorbed on a gold surface at 4.8K. The collision products are detected using temperature-programmed desorption and mass spectrometry. Identification of the species is made through use of the Metropolis random-walk algorithm as constrained by the fractionation patterns. The relevance of this work to the recent discovery of H2O at the star IRC+10216 by PACS-SPIRE/Herschel will be discussed in terms of the grain-mediated reaction O(3P, 1-5 eV) + H2(grain) → H2O(grain), in which the O(3P) arises from stellar UV photodissociation.

  14. [THE ROLE OF (p)ppGpp MOLECULES IN FORMATION OF "STRICT RESPONSE" IN BACTERIA AND BIOSYNTHESIS OF ANTIBIOTICS AND MORPHOLOGICAL DIFFERENTIATION IN ACTINOMYCETES].

    Science.gov (United States)

    Klymyshin, D; Stephanyshyn, O; Fedorenko, V

    2016-01-01

    Strict response is a pleiotropic physiological response of cells caused by lack of aminoacetylated tRNAs. Experimentally, this response occurs due to the lack of amino acids in the environment and the limitation of tRNA aminoacylation even in the presence of the corresponding amino acids in the cell. Many features of this response indicate its dependence on the accumulation of ppGpp molecules. There is a correlation between the growth rate of actinomycetes and biosynthesis of their secondary metabolites. Introduction of additional relA gene copies of ppGpp synthetase can affect the production of antibiotics in streptomycetes. The article presents the authors' own experimental data, dedicated to the influence of heterologous relA gene expression in Streptomyces nogalater cells.

  15. THE OPEP COARSE-GRAINED PROTEIN MODEL: FROM SINGLE MOLECULES, AMYLOID FORMATION, ROLE OF MACROMOLECULAR CROWDING AND HYDRODYNAMICS TO RNA/DNA COMPLEXES

    OpenAIRE

    Sterpone, Fabio; Melchionna, Simone; Tuffery, Pierre; Pasquali, Samuela; Mousseau, Normand; Cragnolini, Tristan; Chebaro, Yassmine; Saint-Pierre, Jean-Francois; Kalimeri, Maria; Barducci, Alessandro; Laurin, Yohan; Tek, Alex; Baaden, Marc; Nguyen, Phuong Hoang; Derreumaux, Philippe

    2014-01-01

    The OPEP coarse-grained protein model has been applied to a wide range of applications since its first release 15 years ago. The model, which combines energetic and structural accuracy and chemical specificity, allows studying single protein properties, DNA/RNA complexes, amyloid fibril formation and protein suspensions in a crowded environment. Here we first review the current state of the model and the most exciting applications using advanced conformational sampling methods. We then presen...

  16. Electric Deflection of Rotating Molecules

    CERN Document Server

    Gershnabel, E

    2010-01-01

    We provide a theory of the deflection of polar and non-polar rotating molecules by inhomogeneous static electric field. Rainbow-like features in the angular distribution of the scattered molecules are analyzed in detail. Furthermore, we demonstrate that one may efficiently control the deflection process with the help of short and strong femtosecond laser pulses. In particular the deflection process may by turned-off by a proper excitation, and the angular dispersion of the deflected molecules can be substantially reduced. We study the problem both classically and quantum mechanically, taking into account the effects of strong deflecting field on the molecular rotations. In both treatments we arrive at the same conclusions. The suggested control scheme paves the way for many applications involving molecular focusing, guiding, and trapping by inhomogeneous fields.

  17. Theoretical investigation on the chemistry of entrapment of the elusive aminoborane (H2 N=BH2 ) molecule.

    Science.gov (United States)

    Malakar, Tanmay; Bhunya, Sourav; Paul, Ankan

    2015-04-20

    Aminoborane (H2 N=BH2 ) is an elusive entity and is thought to be produced during dehydropolymerization of ammonia borane, a molecule of prime interest in the field of chemical hydrogen storage. The entrapment of H2 N=BH2 through hydroboration of exogenous cyclohexene has emerged as a routine technique to infer if free H2 N=BH2 is produced or not during metal-catalyzed ammonia borane dehydrogenation reactions. But to date, the underlying mechanism of this trapping reaction remains unexplored. Herein, by using DFT calculations, we have investigated the mechanism of trapping of H2 N=BH2 by cyclohexene. Contrary to conventional wisdom, our study revealed that the trapping of H2 N=BH2 does not occur through direct hydroboration of H2 N=BH2 on the double bond of cyclohexene. We found that autocatalysis by H2 N=BH2 is crucial for the entrapment of another H2 N=BH2 molecule by cyclohexene. Additionally, nucleophilic assistance from the solvent is also implicated for the entrapment reaction carried out in nucleophilic solvents. In THF, the rate-determining barrier for formation of the trapping product was predicted to be 16.7 kcal mol(-1) at M06 L(CPCM) level of theory.

  18. Tunnel ionization, population trapping, filamentation and applications

    Science.gov (United States)

    Leang Chin, See; Xu, Huailiang

    2016-11-01

    The advances in femtosecond Ti-sapphire laser technology have led to the discovery of a profusion of new physics. This review starts with a brief historical account of the experimental realization of tunnel ionization, followed by high harmonic generation and the prediction of attosecond pulses. Then, the unique phenomenon of dynamic population trapping during the ionization of atoms and molecules in intense laser fields is introduced. One of the consequences of population trapping in the highly excited states is the neutral dissociation into simple molecular fragments which fluoresce. Such fluorescence could be amplified in femtosecond laser filamentation in gases. The experimental observations of filament-induced fluorescence and lasing in the atmosphere and combustion flames are given. Excitation of molecular rotational wave packets (molecular alignment) and their relaxation and revival in a gas filament are described. Furthermore, filament-induced condensation and precipitation inside a cloud chamber is explained. Lastly, a summary and future outlook is given.

  19. Resonance methods in quadrupole ion traps

    Science.gov (United States)

    Snyder, Dalton T.; Peng, Wen-Ping; Cooks, R. Graham

    2017-01-01

    The quadrupole ion trap is widely used in the chemical physics community for making measurements on dynamical systems, both intramolecular (e.g. ion fragmentation reactions) and intermolecular (e.g. ion/molecule reactions). In this review, we discuss linear and nonlinear resonances in quadrupole ion traps, an understanding of which is critical for operation of these devices and interpretation of the data which they provide. The effect of quadrupole field nonlinearity is addressed, with important implications for promoting fragmentation and achieving unique methods of mass scanning. Methods that depend on ion resonances (i.e. matching an external perturbation with an ion's induced frequency of motion) are discussed, including ion isolation, ion activation, and ion ejection.

  20. Charge Trapping in Photovoltaically Active Perovskites and Related Halogenoplumbate Compounds.

    Science.gov (United States)

    Shkrob, Ilya A; Marin, Timothy W

    2014-04-01

    Halogenoplumbate perovskites (MeNH3PbX3, where X is I and/or Br) have emerged as promising solar panel materials. Their limiting photovoltaic efficiency depends on charge localization and trapping processes that are presently insufficiently understood. We demonstrate that in halogenoplumbate materials the holes are trapped by organic cations (that deprotonate from their oxidized state) and Pb(2+) cations (as Pb(3+) centers), whereas the electrons are trapped by several Pb(2+) cations, forming diamagnetic lead clusters that also serve as color centers. In some cases, paramagnetic variants of these clusters can be observed. We suggest that charge separation in the halogenoplumbates resembles latent image formation in silver halide photography. Electron and hole trapping by lead clusters in extended dislocations in the bulk may be responsible for accumulation of trapped charge observed in this photovoltaic material.