7,027 research outputs found
XTDS: A JAVA-BASED INTERFACE TO ANALYZE AND SIMULATE SPECTRA OF VARIOUS MOLECULES USING TENSORIAL FORMALISM
No full text{V. Boudon, J.-P. Champion, T. Gabard, M. Loete, F. Michelot, G. Pierre, M. Rotger, Ch. Wenger and M. Rey, {\em J. Mol. Spectrosc.\/{http://www.u-bourgogne.fr/shTDS.html{Ch. Wenger and J.-P. Champion, {\em J. Quant. Spectrosc. Radiat. Transfer\/{Ch. Wenger, V. Boudon, J.-P. Champion and G. Pierre, {\em J. Quant. Spectrosc. Radiat. Transfer\/{Ch. Wenger, M. Rotger and V. Boudon, {\em J. Quant. Spectrosc. Radiat. Transfer\/{Ch. Wenger, M. Rotger and V. Boudon, {\em J. Quant. Spectrosc. Radiat. Transfer\/{Ch. Wenger, W. Raballand, M. Rotger and V. Boudon, {\em J. Quant. Spectrosc. Radiat. Transfer\/Author Institution: Laboratoire de Physique de l'Universite de Bourgogne, CNRS UMR 5027, 9 Av. A. Savary, BP 47870, F-21078 Dijon Cedex, FranceThe Dijon group has developed powerful techniques based on group theory and tensorial formalism}, {\bf 228}, 620--634 (2003)} in order to analyze and simulate absorption and Raman spectra of molecules with various symmetries. Software packages and databases} implementing these tools have been created. This concerns: XY (tetrahedral, STDS package)}, {\bf 59}, 471--480 (1998).}, XY (octahedral, HTDS package)}, {bf 66}, 1--16 (2000).}, XYZ ( symmetry, TDS package)}, {\bf 93}, 429--446 (2005).}, XYZ ( symmetry, TDS package)}, {\bf 74}, 621--636 (2002).} and XY ( symmetry and TDS package)}, in press (2005).} species. These packages all consist in FORTRAN 77 programs called by UNIX scripts. We present here a user-friendly java-based interface, called XTDS, which allows to interactively build and launch spectrum calculation or analysis jobs using any of the above-mentioned packages. This software runs on UNIX systems (UNIX, Linux or Mac OS X workstations). It allows the treatment of complex spectroscopic problems, including molecules with complex polyads, like methane for instance. The user can define the polyad scheme for the molecule under consideration. All interaction terms up to a given order of the development are automatically determined for both the Hamiltonian or transition moments (dipole moment or polarizability). Least-square fits of experimental data can also be run interactively
TACC3-ch-TOG track the growing tips of microtubules independently of clathrin and Aurora-A phosphorylation
No full textThe interaction between TACC3 (transforming acidic coiled coil protein 3) and the microtubule polymerase ch-TOG (colonic, hepatic tumor overexpressed gene) is evolutionarily conserved. Loading of TACC3–ch-TOG onto spindle microtubules requires the phosphorylation of TACC3 by Aurora-A kinase and the subsequent interaction of TACC3 with clathrin to form a microtubule binding surface. Whether there is a pool of TACC3–ch-TOG that is independent of clathrin in human cells, and what is the function of this pool, are open questions. Here, we report that TACC3 is recruited to the plus-ends of microtubules by its association with ch-TOG and that this pool is independent of phosphorylation and binding to clathrin. The plus-end binding of TACC3–ch-TOG persists in interphase and we propose that one cellular function of TACC3–ch-TOG is to modulate cell migration. We also describe the distinct subcellular pools of TACC3, ch-TOG and clathrin. TACC3 is often described as a centrosomal protein, but we show that there is no significant population of TACC3 at centrosomes. The delineation of distinct protein pools reveals a simplified view of how these proteins are organized and controlled by post-translational modification
DATABASES AND PROGRAMS FOR THE SPECTROSCOPY OF SOME GREENHOUSE GASES: AND
No full text Ch. Wenger and J.-P. Champion, J. Quant. Spectrosc. Radiat. Transfer, 59, 471-480 (1998). Ch. Wenger V. Boudon, J.-P. Champion and G. Pierre, J. Quant. Spectrosc. Radiat. Transfer, 66, 1-16 (2000). V. Boudon, J.-P. Champion, T. Gabard, G. Pierre, M. Lo\""{e}te and Ch. Wenger, Env. Chem. Lett., in press (2003).Author Institution: Laboratoire de Physique de l'Universit\'{e} de BourgogneHighly symmetrical molecules such as or are known to be atmospheric pollutants and greenhouse gases. High-resolution spectroscopy in the infrared is particularly suitable for the monitoring of gas concentration and radiative transfer in the Earth's atmosphere. This technique requires prior extensive theoretical studies for the modeling of the spectra of such molecules (positions, intensities and shapes of absorption lines). We have developed powerful tools for the analysis and the simulation of absorption spectra of highly symmetrical molecules. These tools have been implemented in the Spherical Top Data System and Highly-spherical Top Data System software available at http: //www.u-bourgogne.fr/LPUB/shTDS.html. They include a compilation of modeled data obtained during the last 20 years. An overview of our latest results in this domain will be . We will especially focus on the recent advances concerning the high polyads of methane and the combination and hot bands of sulfur hexafluoride
STDS AND HTDS SOFTWARE FOR THE CALCULATION AND ANALYSIS OF SPHERICAL-TOP SPECTRA
No full textCh. Wenger and J.-P. Champion, J. Quant. Spectrosc. Radiat. Transfer, 59, 471-480 (1998). Ch. Wenger, V. Boudon J.-P. Champion and G. Pierre, J. Quant. Spectrosc. Radiat. Transfer, 66, 1-16 (2000). J.-P. Champion, M. Lo\""ete and G. Pierre, in Spectroscopy of the Earth's atmosphere and interstellar medium, edited by K. N. Rao and A. Weber (Academic Press, Inc., San Diego, 1992) pp. 339-422. N. Cheblal, V. Boudon and M. Lo\""ete, J. Mol. Spectrosc., 66, 222-231 (1999).Author Institution: Dept. of Chemistry, Laboratoire de Physique de l'Universit\'e de BourgogneThe Spherical Top Data System and the Highly-spherical Top Data System software packages for the simulation and analysis of spherical-top spectra are presented. These programs implement the group-theoretical and tensorial methods developed in the Dijon . They allow various types of calculations : rovibrational energy levels, infrared absorption and Raman scattering spectra. STDS is devoted to tetrahedral molecules while HTDS handles octahedral molecules . In both cases, numerous parameter files are included for various molecules and band systems that have been analyzed in Dijon. Several job examples for different types of calculations are also provided. The STDS and HTDS packages are freely downloadable at the URL http://www.u-bourgogne.fr/LPUB/shTDS.html Both of them are available for Unix, PC-Linux and sytems. A version of STDS has also been released. These suites consist of a series of FORTRAN programs called by a script (depending on the operating system)
Proton-Coupled Electron Transfer Originating from Excited States of Luminescent Transition-Metal Complexes
No full textProton-coupled electron transfer (PCET) is of fundamental importance for small-molecule activation processes, such as water splitting, CO(2)-reduction, or nitrogen fixation. Ideally, energy-rich molecules such as H(2), CH(3)OH, or NH(3) could be generated artificially using (solar) light as an energy input. In this context, PCETs originating directly from electronically excited states play a crucial role. A variety of transition-metal complexes have been used recently for fundamental investigations of this important class of reactions, and the key findings of these studies are reviewed in this article. The present minireview differs from other reviews on the subject of PCET in that it focuses specifically on reactions occurring directly from electronically excited states.Deutsche Forschungsgemeinschaft [WE4815/1
Temperature impact and programming algorithm for RRAM based memories
No full textIn this paper, the impact of the forming temperature on the reliability of Hafnium-based RRAM arrays has been investigated. A wide range of high temperatures from 25 °C to 150 °C during the forming operations have been applied. Endurance and retention tests have been performed at room temperature and at 150 °C, respectively. The optimized Incremental Step Pulse and Verify Algorithm (ISPVA) has been used for write operations in order to reduce the cell-to-cell variability. The electricalperformance of HfO2 and Hf1-1-xAlxAlxO yRRAM arrays will be compared
Structure and defects of epitaxial Si(111) layers on Y2O3(111)/Si(111) support systems
No full textSingle crystalline epitaxial Si(111)/Y2O3(111)/Si(111) heterostructures were grown by molecular beam epitaxy and the morphology, structure, and defects were characterized in detail. The growth of a closed and smooth layer-system is demonstrated by means of reflection high energy electron diffraction measurements. X-ray reflectometry and high resolution Rutherford backscattering (RBS) experiments show low surface and interface roughnesses. Channeling RBS as well as x-ray diffraction pole figure studies demonstrate the type A/B/A epitaxy relationship of the Si(111)/Y2O3(111)/Si(111) heterostructure and reveal the existence of defects in the epitaxial Si(111) layer. These defects are studied in detail with high resolution transmission electron microscopy, disclosing microtwin formation and type B Si grains as the major defects. (C) 2009 American Vacuum Society. [DOI: 10.1116/1.3043540
Tutorial: Concepts for closely mimicking biological learning with memristive devices: Principles to emulate cellular forms of learning
No full textZiegler M, Wenger C, Chicca E, Kohlstedt H. Tutorial: Concepts for closely mimicking biological learning with memristive devices: Principles to emulate cellular forms of learning. Journal of Applied Physics. 2018;124(15): 152003
Les diminutifs basques avec ch
No full textSe presentan formaciones similares a los diminutivos vascos con "ch" en España y América latina. Se dan ejemplosThe author introduces similar formations to the Basque diminutive "ch" in Spain and Latin America. Examples are provide
SPVIEW and XTDS: graphical tools for the analysis and simulation of high-resolution molecular spectra
No full textAuthor Institution: Institut Carnot de Bourgogne, UMR 5209 CNRS-Universite de Bourgogne, 9. Av. A. Savary, BP 47870, F-21078 Dijon Cedex, FranceSPVIEW is a multi-platform Java application that allows graphical assignment of high-resolution molecular spectra. It is possible to load, display and manipulate experimental and simulated spectra (XY ASCII format) as well as stick spectra in various formats (including HITRAN format). Lines can be assigned graphically using the mouse. Assignments can also be modified or removed. Local simulations can be performed in order, for instance, to help assignment in partly resolved line clusters. SPVIEW is also able produce peak lists from an experimental spectrum. This tool can be used in conjunction with XTDS, which is a Java front-end to the different programs implementing the tensorial formalism developed in our group}, {\bf 228}, 620--634 (2003).}. XTDS allows the simulation and analysis of any polyad system for molecules of various symmetries ( and spherical tops like CH and SF, and quasi-spherical tops like SOF and SFCl, molecules like CH). Its capabilities have been recently augmented and improved
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