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1. Donor-acceptor co-adsorption ratio controls structure and electronic properties of two-dimensional alkali-organic networks on Ag(100)

Author

Sohail, B., Blowey, P. J., Rochford, L. A., Ryan, P. T. P., Duncan, D. A., Lee, T. -L., Starrs, P., Costantini, G., Woodruff, D. P., and Maurer, R. J.

Subjects
Condensed Matter - Materials Science
Abstract

The results are presented of a detailed combined experimental and theoretical investigation of the influence of coadsorbed electron-donating alkali atoms and the prototypical electron acceptor molecule TCNQ (7,7,8,8-tetracyanoquinodimethane) on the Ag(100) surface. Several coadsorption phases were characterised by scanning tunnelling microscopy, low energy electron diffraction, and soft-X-ray photoelectron spectroscopy. Quantitative structural data were obtained using normal incidence X-ray standing wave (NIXSW) measurements and compared with the results of density functional theory (DFT) calculations using several different methods of dispersion correction. Generally good agreement between theory and experiment was achieved for the quantitative structures, albeit with prediction of the alkali atom heights being challenging for some methods. The adsorption structures depend sensitively on the interplay of molecule-metal charge transfer and long-range dispersion forces, which are controlled by the composition ratio between alkali atoms and TCNQ. The large difference in atomic size between K and Cs has negligible effects on stability, whereas increasing the ratio of K:TCNQ from 1:4 to 1:1 leads to a weakening of molecule-metal interaction strength in favour of stronger ionic bonds within the two-dimensional alkali-organic network. A strong dependence of the work function on the alkali donor-TCNQ acceptor co-adsorption ratio is predicted., Comment: 42 pages

Published
2022

2. Dissipative Tunneling Rates through the Incorporation of First-Principles Electronic Friction in Instanton Rate Theory II: Benchmarks and Applications

Author

Litman, Y., Pós, E. S., Box, C. L., Martinazzo, R., Maurer, R. J., and Rossi, M.

Subjects
Physics - Chemical Physics
Abstract

In part I, we presented the ring-polymer instanton with explicit friction (RPI-EF) method and showed how it can be connected to the \textit{ab initio} electronic friction formalism. This framework allows the calculation of tunneling reaction rates that incorporate the quantum nature of the nuclei and certain types of non-adiabatic effects (NAEs) present in metals. In this second part, we analyze the performance of RPI-EF on model potentials and apply it to realistic systems. For a 1D double-well model, we benchmark the method against numerically exact results obtained from multi-layer multi-configuration time-dependent Hartree calculations. We demonstrate that RPI-EF is accurate for medium and high friction strengths and less accurate for extremely low friction values. We also show quantitatively how the inclusion of NAEs lowers the cross-over temperature into the deep tunneling regime, reduces the tunneling rates, and in certain regimes, steers the quantum dynamics by modifying the tunneling pathways. As a showcase of the efficiency of this method, we present a study of hydrogen and deuterium hopping between neighboring interstitial sites in selected bulk metals. The results show that multidimensional vibrational coupling and nuclear quantum effects have a larger impact than NAEs on the tunneling rates of diffusion in metals. Together with part I, these results advance the calculations of dissipative tunneling rates from first principles.

Published
2022
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3. Dissipative Tunneling Rates through the Incorporation of First-Principles Electronic Friction in Instanton Rate Theory I: Theory

Author

Litman, Y., Pós, E. S., Box, C. L., Martinazzo, R., Maurer, R. J., and Rossi, M.

Subjects
Physics - Chemical Physics, Condensed Matter - Materials Science
Abstract

Reactions involving adsorbates on metallic surfaces and impurities in bulk metals are ubiquitous in a wide range of technological applications. The theoretical modelling of such reactions presents a formidable challenge for theory because nuclear quantum effects (NQEs) can play a prominent role and the coupling of the atomic motion with the electrons in the metal gives rise to important non-adiabatic effects (NAEs) that alter atomic dynamics. In this work, we derive a theoretical framework that captures both NQEs and NAEs and, due to its high efficiency, can be applied to first-principles calculations of reaction rates in high-dimensional realistic systems. In more detail, we develop a method that we coin ring polymer instanton with explicit friction (RPI-EF), starting from the ring-polymer instanton formalism applied to a system-bath model. We derive general equations that incorporate the spatial and frequency dependence of the friction tensor, and then combine this method with the \textit{ab initio} electronic friction formalism for the calculation of thermal reaction rates. We show that the connection between RPI-EF and the form of the electronic friction tensor presented in this work does not require any further approximations, and it is expected to be valid as long as the approximations of both underlying theories remain valid.

Published
2022
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4. The Near-Infrared Spectrograph (NIRSpec) on the James Webb Space Telescope I. Overview of the instrument and its capabilities

Author

Jakobsen, P., Ferruit, P., de Oliveira, C. Alves, Arribas, S., Bagnasco, G., Barho, R., Beck, T. L., Birkmann, S., Böker, T., Bunker, A. J., Charlot, S., de Jong, P., de Marchi, G., Ehrenwinkler, R., Falcolini, M., Fels, R., Franx, M., Franz, D., Funke, M., Giardino, G., Gnata, X., Holota, W., Honnen, K., Jensen, P. L., Jentsch, M., Johnson, T., Jollet, D., Karl, H., Kling, G., Köhler, J., Kolm, M. G., Kumari, N., Lander, M. E., Lemke, R., López-Caniego, M., Lützgendorf, N., Maiolino, R., Manjavacas, E., Marston, A., Maschmann, M., Maurer, R., Messerschmidt, B., Moseley, S. H., Mosner, P., Mott, D. B., Muzerolle, J., Pirzkal, N., Pittet, J. F., Plitzke, A., Posselt, W., Rapp, B., Rauscher, B. J., Rawle, T., Rix, H. W., Rödel, A., Rumler, P., Sabbi, E., Salvignol, J. C., Schmid, T., Sirianni, M., Smith, C., Strada, P., Plate, M. te, Valenti, J., Wettemann, T., Wiehe, T., Wiesmayer, M., Willott, C. J., Wright, R., Zeidler, P., and Zincke, C.

Subjects
Astrophysics - Instrumentation and Methods for Astrophysics
Abstract

We provide an overview of the design and capabilities of the near-infrared spectrograph (NIRSpec) onboard the James Webb Space Telescope. NIRSpec is designed to be capable of carrying out low-resolution ($R\!=30\!-330$) prism spectroscopy over the wavelength range $0.6-5.3\!~\mu$m and higher resolution ($R\!=500\!-1340$ or $R\!=1320\!-3600$) grating spectroscopy over $0.7-5.2\!~\mu$m, both in single-object mode employing any one of five fixed slits, or a 3.1$\times$3.2 arcsec$^2$ integral field unit, or in multiobject mode employing a novel programmable micro-shutter device covering a 3.6$\times$3.4~arcmin$^2$ field of view. The all-reflective optical chain of NIRSpec and the performance of its different components are described, and some of the trade-offs made in designing the instrument are touched upon. The faint-end spectrophotometric sensitivity expected of NIRSpec, as well as its dependency on the energetic particle environment that its two detector arrays are likely to be subjected to in orbit are also discussed., Comment: Accepted for publication in A&A. 22 pages, 19 figures

Published
2022
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5. A deep neural network for molecular wave functions in quasi-atomic minimal basis representation

Author

Gastegger, M., McSloy, A., Luya, M., Schütt, K. T., and Maurer, R. J.

Subjects
Physics - Computational Physics, Statistics - Machine Learning
Abstract

The emergence of machine learning methods in quantum chemistry provides new methods to revisit an old problem: Can the predictive accuracy of electronic structure calculations be decoupled from their numerical bottlenecks? Previous attempts to answer this question have, among other methods, given rise to semi-empirical quantum chemistry in minimal basis representation. We present an adaptation of the recently proposed SchNet for Orbitals (SchNOrb) deep convolutional neural network model [Nature Commun. 10, 5024 (2019)] for electronic wave functions in an optimised quasi-atomic minimal basis representation. For five organic molecules ranging from 5 to 13 heavy atoms, the model accurately predicts molecular orbital energies and wavefunctions and provides access to derived properties for chemical bonding analysis. Particularly for larger molecules, the model outperforms the original atomic-orbital-based SchNOrb method in terms of accuracy and scaling. We conclude by discussing the future potential of this approach in quantum chemical workflows., Comment: 15 pages, 9 figures

Published
2020
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6. Unifying machine learning and quantum chemistry -- a deep neural network for molecular wavefunctions

Author

Schütt, K. T., Gastegger, M., Tkatchenko, A., Müller, K. -R., and Maurer, R. J.

Subjects
Physics - Chemical Physics, Statistics - Machine Learning
Abstract

Machine learning advances chemistry and materials science by enabling large-scale exploration of chemical space based on quantum chemical calculations. While these models supply fast and accurate predictions of atomistic chemical properties, they do not explicitly capture the electronic degrees of freedom of a molecule, which limits their applicability for reactive chemistry and chemical analysis. Here we present a deep learning framework for the prediction of the quantum mechanical wavefunction in a local basis of atomic orbitals from which all other ground-state properties can be derived. This approach retains full access to the electronic structure via the wavefunction at force field-like efficiency and captures quantum mechanics in an analytically differentiable representation. On several examples, we demonstrate that this opens promising avenues to perform inverse design of molecular structures for target electronic property optimisation and a clear path towards increased synergy of machine learning and quantum chemistry.

Published
2019

7. Quantification of finite-temperature effects on adsorption geometries of $\pi$-conjugated molecules

Author

Mercurio, G., Maurer, R. J., Liu, W., Hagen, S., Leyssner, F., Tegeder, P., Meyer, J., Tkatchenko, A., Soubatch, S., Reuter, K., and Tautz, F. S.

Subjects
Condensed Matter - Materials Science, Condensed Matter - Mesoscale and Nanoscale Physics, Physics - Chemical Physics
Abstract

The adsorption structure of the molecular switch azobenzene on Ag(111) is investigated by a combination of normal incidence x-ray standing waves and dispersion-corrected density functional theory. The inclusion of non-local collective substrate response (screening) in the dispersion correction improves the description of dense monolayers of azobenzene, which exhibit a substantial torsion of the molecule. Nevertheless, for a quantitative agreement with experiment explicit consideration of the effect of vibrational mode anharmonicity on the adsorption geometry is crucial., Comment: 12 pages, 3 figures

Published
2014
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9. Roadmap on Machine learning in electronic structure

Author

Kulik, H J, Hammerschmidt, T, Schmidt, J, Botti, S, Marques, M A L, Boley, M, Scheffler, M, Todorović, M, Rinke, P, Oses, C, Smolyanyuk, A, Curtarolo, S, Tkatchenko, A, Bartók, A P, Manzhos, S, Ihara, M, Carrington, T, Behler, J, Isayev, O, Veit, M, Grisafi, A, Nigam, J, Ceriotti, M, Schütt, K T, Westermayr, J, Gastegger, M, Maurer, R J, Kalita, B, Burke, K, Nagai, R, Akashi, R, Sugino, O, Hermann, J, Noé, F, Pilati, S, Draxl, C, Kuban, Martin, Rigamonti, Santiago, Scheidgen, Markus, Esters, M, Hicks, D, Toher, C, Balachandran, P V, Tamblyn, I, Whitelam, S, Bellinger, C, Ghiringhelli, Luca M., Kulik, H J, Hammerschmidt, T, Schmidt, J, Botti, S, Marques, M A L, Boley, M, Scheffler, M, Todorović, M, Rinke, P, Oses, C, Smolyanyuk, A, Curtarolo, S, Tkatchenko, A, Bartók, A P, Manzhos, S, Ihara, M, Carrington, T, Behler, J, Isayev, O, Veit, M, Grisafi, A, Nigam, J, Ceriotti, M, Schütt, K T, Westermayr, J, Gastegger, M, Maurer, R J, Kalita, B, Burke, K, Nagai, R, Akashi, R, Sugino, O, Hermann, J, Noé, F, Pilati, S, Draxl, C, Kuban, Martin, Rigamonti, Santiago, Scheidgen, Markus, Esters, M, Hicks, D, Toher, C, Balachandran, P V, Tamblyn, I, Whitelam, S, Bellinger, C, and Ghiringhelli, Luca M.

Abstract

In recent years, we have been witnessing a paradigm shift in computational materials science. In fact, traditional methods, mostly developed in the second half of the XXth century, are being complemented, extended, and sometimes even completely replaced by faster, simpler, and often more accurate approaches. The new approaches, that we collectively label by machine learning, have their origins in the fields of informatics and artificial intelligence, but are making rapid inroads in all other branches of science. With this in mind, this Roadmap article, consisting of multiple contributions from experts across the field, discusses the use of machine learning in materials science, and share perspectives on current and future challenges in problems as diverse as the prediction of materials properties, the construction of force-fields, the development of exchange correlation functionals for density-functional theory, the solution of the many-body problem, and more. In spite of the already numerous and exciting success stories, we are just at the beginning of a long path that will reshape materials science for the many challenges of the XXIth century., Peer Reviewed

Published
2022

10. The Near-Infrared Spectrograph (NIRSpec) on theJames WebbSpace Telescope

Author

Jakobsen, P., primary, Ferruit, P., additional, Alves de Oliveira, C., additional, Arribas, S., additional, Bagnasco, G., additional, Barho, R., additional, Beck, T. L., additional, Birkmann, S., additional, Böker, T., additional, Bunker, A. J., additional, Charlot, S., additional, de Jong, P., additional, de Marchi, G., additional, Ehrenwinkler, R., additional, Falcolini, M., additional, Fels, R., additional, Franx, M., additional, Franz, D., additional, Funke, M., additional, Giardino, G., additional, Gnata, X., additional, Holota, W., additional, Honnen, K., additional, Jensen, P. L., additional, Jentsch, M., additional, Johnson, T., additional, Jollet, D., additional, Karl, H., additional, Kling, G., additional, Köhler, J., additional, Kolm, M.-G., additional, Kumari, N., additional, Lander, M. E., additional, Lemke, R., additional, López-Caniego, M., additional, Lützgendorf, N., additional, Maiolino, R., additional, Manjavacas, E., additional, Marston, A., additional, Maschmann, M., additional, Maurer, R., additional, Messerschmidt, B., additional, Moseley, S. H., additional, Mosner, P., additional, Mott, D. B., additional, Muzerolle, J., additional, Pirzkal, N., additional, Pittet, J.-F., additional, Plitzke, A., additional, Posselt, W., additional, Rapp, B., additional, Rauscher, B. J., additional, Rawle, T., additional, Rix, H.-W., additional, Rödel, A., additional, Rumler, P., additional, Sabbi, E., additional, Salvignol, J.-C., additional, Schmid, T., additional, Sirianni, M., additional, Smith, C., additional, Strada, P., additional, te Plate, M., additional, Valenti, J., additional, Wettemann, T., additional, Wiehe, T., additional, Wiesmayer, M., additional, Willott, C. J., additional, Wright, R., additional, Zeidler, P., additional, and Zincke, C., additional

Published
2022
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14. How are patients with chronic urticaria interested in using information and communication technologies to guide their healthcare? a UCARE study

Author

Göncü, Özgür Emek Kocatürk (ORCID 0000-0003-2801-0959 & YÖK ID 217219), Cherrez-Ojeda, I.; Vanegas, E.; Cherrez, A.; Felix, M.; Weller, K.; Magerl, M.; Maurer, R. R.; Mata, V. L.; Kasperska-Zajac, A.; Sikora, A.; Fomina, D.; Kovalkova, E.; Godse, K.; Rao, N. D.; Khoshkhui, M.; Rastgoo, S.; Criado, R. F.; Abuzakouk, M.; Grandon, D.; Van Doorn, M. B. A.; Oliveira Rodrigues Valle, S.; De Souza Lima, E. M.; Thomsen, S. F.; Ramón, G. D.; Matos Benavides, E. E.; Bauer, A.; Giménez-Arnau, A. M.; Guillet, C.; Larco, J. I.; Zhao, Z.- T.; Makris, M.; Ritchie, C.; Xepapadaki, P.; Ensina, L. F.; Cherrez, S.; Maurer, M., Göncü, Özgür Emek Kocatürk (ORCID 0000-0003-2801-0959 & YÖK ID 217219), and Cherrez-Ojeda, I.; Vanegas, E.; Cherrez, A.; Felix, M.; Weller, K.; Magerl, M.; Maurer, R. R.; Mata, V. L.; Kasperska-Zajac, A.; Sikora, A.; Fomina, D.; Kovalkova, E.; Godse, K.; Rao, N. D.; Khoshkhui, M.; Rastgoo, S.; Criado, R. F.; Abuzakouk, M.; Grandon, D.; Van Doorn, M. B. A.; Oliveira Rodrigues Valle, S.; De Souza Lima, E. M.; Thomsen, S. F.; Ramón, G. D.; Matos Benavides, E. E.; Bauer, A.; Giménez-Arnau, A. M.; Guillet, C.; Larco, J. I.; Zhao, Z.- T.; Makris, M.; Ritchie, C.; Xepapadaki, P.; Ensina, L. F.; Cherrez, S.; Maurer, M.

Abstract

Background: patients with chronic urticaria (CU) are increasingly using information and communication technologies (ICTs) to manage their health. What CU patients expect from ICTs and which ICTs they prefer remains unknown. We assessed why CU patients use ICTs, which ones they prefer, and what drives their expectations and choices. Methods: in this cross-sectional study, 1841 patients across 17 countries were recruited at UCAREs (Urticaria Centers of Reference and Excellence). Patients with CU who were >12 years old completed a 23-item questionnaire. Results: most patients were interested in receiving disease information (87.3%), asking physicians about CU (84.1%), and communicating with other patients through ICTs (65.6%). For receiving disease information, patients preferred one-to-one and one-to-many ICTs, especially web browsers. One-to-one ICTs were also the ICTs of choice for asking physicians about urticaria and for communicating with other patients, and e-mail and WhatsApp were the preferred ICTs, respectively. Many-to-many ICTs such as Facebook, Instagram, LinkedIn, and Twitter were least preferred for all 3 purposes. Living in rural areas and higher education were linked to higher odds of being interested in receiving disease information, asking physicians, and communicating with patients through ICTs. Conclusions: most patients and especially patients with higher education who live in rural areas are interested in using ICTs for their healthcare, but prefer different ICTs for different purposes, ie, web browsers for obtaining information, e-mail for asking physicians, and WhatsApp for communicating with other patients. Our findings may help to improve ICTs for CU.

Published
2021

15. DFTB+, a software package for efficient approximate density functional theory based atomistic simulations

Author

Hourahine, B., Aradi, B., Blum, V., Bonafé, F., Buccheri, A., Camacho, C., Cevallos, C., Deshaye, M. Y., Dumitric, T. Ä., Dominguez, A., Ehlert, S., Elstner, M., Van Der Heide, T., Hermann, J., Irle, S., Kranz, J. J., Köhler, C., Kowalczyk, T., Kubař, T., Lee, I. S., Lutsker, V., Maurer, R. J., Min, S. K., Mitchell, I., Negre, C., Niehaus, T. A., Niklasson, A. M. N., Page, A. J., Pecchia, A., Penazzi, G., Persson, M. P., Å&tild, ezáč, J., Sánchez, C. G., Sternberg, M., Stöhr, M., Stuckenberg, F., Tkatchenko, A., Yu, V. W.-Z., Frauenheim, T., University of Strathclyde [Glasgow], University of Bremen, Duke University [Durham], Max Planck Institute for the Structure and Dynamics of Matter (MPSD), School of Chemistry [Bristol], University of Bristol [Bristol], Universidad de Costa Rica (UCR), Western Washington University (WWU), Univ Minnesota, Minneapolis, University of Minnesota [Twin Cities] (UMN), University of Minnesota System-University of Minnesota System, Beijing Computational Science Research Center [Beijing] (CSRC), University of Bonn, Karlsruher Institut für Technologie (KIT), Freie Universität Berlin, Computational Sciences and Engineering Division [Oak Ridge], Oak Ridge National Laboratory [Oak Ridge] (ORNL), UT-Battelle, LLC-UT-Battelle, LLC, Ulsan National Institute of Science and Technology (UNIST), Institut für Theoretische Physik [Regensburg], Universität Regensburg (UR), University of Warwick [Coventry], Center for Multidimensional Carbon Materials, Institute for Basic Science (IBS) (CMCM), Los Alamos National Laboratory (LANL), Modélisation de la matière condensée et des interfaces (MMCI), Institut Lumière Matière [Villeurbanne] (ILM), Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS)-Université Claude Bernard Lyon 1 (UCBL), Université de Lyon-Université de Lyon-Centre National de la Recherche Scientifique (CNRS), School of Environmental and Life Sciences - SELS (Callaghan, Australia), University of Newcastle [Australia] (UoN), CNR-ISMN, Consiglio Nazionale delle Ricerche [Roma] (CNR), Dassault Systèmes, Institute of Organic Chemistry and Biochemistry of the Czech Academy of Sciences (IOCB / CAS), Czech Academy of Sciences [Prague] (CAS), Argonne National Laboratory [Lemont] (ANL), University of Luxembourg [Luxembourg], and Universidad Nacional de Cuyo [Mendoza] (UNCUYO)

Subjects
Computer science, Ab initio, General Physics and Astronomy, DFT, 01 natural sciences, density-functional tight binding, purl.org/becyt/ford/1 [https], [SPI]Engineering Sciences [physics], Tight binding, Software, density functional tight binding, QD, Computer software, Quantum, QC, [PHYS]Physics [physics], 010304 chemical physics, 500 Naturwissenschaften und Mathematik::530 Physik::530 Physik, Programming languages, Sciences informatiques [C05] [Ingénierie, informatique & technologie], Electronic transport, Physique [G04] [Physique, chimie, mathématiques & sciences de la terre], Electronic Structure, ddc:540, Density functional theory, Quantum mechanical calculations, Chemistry & allied sciences, Physics [G04] [Physical, chemical, mathematical & earth Sciences], Parallel algorithm, Tight-binding model, Electronic structure, Information technology, 010402 general chemistry, Electronic Structure Software, Computational science, Chemistry [G01] [Physical, chemical, mathematical & earth Sciences], 0103 physical sciences, [CHIM]Chemical Sciences, Physical and Theoretical Chemistry, DFTB+, Computer science [C05] [Engineering, computing & technology], business.industry, Excited states, Hybrid density functional calculations, purl.org/becyt/ford/1.3 [https], 0104 chemical sciences, Hybrid functional, Chimie [G01] [Physique, chimie, mathématiques & sciences de la terre], business, Atomistic simulations
Abstract

DFTB+ is a versatile community developed open source software package offering fast and efficient methods for carrying out atomistic quantum mechanical simulations. By implementing various methods approximating density functional theory (DFT), such as the density functional based tight binding (DFTB) and the extended tight binding method, it enables simulations of large systems and long timescales with reasonable accuracy while being considerably faster for typical simulations than the respective ab initio methods. Based on the DFTB framework, it additionally offers approximated versions of various DFT extensions including hybrid functionals, time dependent formalism for treating excited systems, electron transport using non-equilibrium Green's functions, and many more. DFTB+ can be used as a user-friendly standalone application in addition to being embedded into other software packages as a library or acting as a calculation-server accessed by socket communication. We give an overview of the recently developed capabilities of the DFTB+ code, demonstrating with a few use case examples, discuss the strengths and weaknesses of the various features, and also discuss on-going developments and possible future perspectives. Fil: Hourahine, B.. University of Strathclyde; Reino Unido Fil: Aradi, B.. Universitat Bremen; Alemania Fil: Blum, V.. University of Duke; Estados Unidos Fil: Bonafé, F.. Max Planck Institute For The Structure And Dynamics Of Matter; Alemania Fil: Buccheri, A.. University Of Bristol; Reino Unido Fil: Camacho, C.. Universidad de Costa Rica; Costa Rica Fil: Cevallos, C.. Universidad de Costa Rica; Costa Rica Fil: Deshaye, M. Y.. Western Washington University; Estados Unidos Fil: Dumitric, T.. University of Minnesota; Estados Unidos Fil: Dominguez, A.. Universitat Bremen; Alemania Fil: Ehlert, S.. Universitat Bonn; Alemania Fil: Elstner, M.. Karlsruhe Institute Of Technology; Alemania Fil: Van Der Heide, T.. Universitat Bremen; Alemania Fil: Hermann, J.. Freie Universität Berlin; Alemania Fil: Irle, S.. Oak Ridge National Laboratory; Estados Unidos Fil: Kranz, J.J.. Karlsruhe Institute Of Technology; Alemania Fil: Köhler, C.. Universitat Bremen; Alemania Fil: Kowalczyk, T.. Western Washington University.; Estados Unidos Fil: Kubar, T.. Karlsruhe Institute Of Technology; Alemania Fil: Lee, I.S.. Ulsan National Institute Of Science And Technology; Estados Unidos Fil: Lutsker, V.. Universitat Regensburg; Alemania Fil: Maurer, R.J.. University of Warwick; Reino Unido Fil: Min, S.K.. Ulsan National Institute Of Science And Technology; Corea del Sur Fil: Mitchell, I.. Institute For Basic Science, Daejeon; Corea del Sur Fil: Negre, C.. Los Alamos National Laboratory Theoretical Division; Estados Unidos Fil: Niehaus, T.A.. Universite Lyon 2; Francia Fil: Niklasson, A.M.N.. Los Alamos National Laboratory Theoretical Division; Estados Unidos Fil: Page, A.J.. School Of Environmental And Life Sciences; Australia Fil: Pecchia, A.. Centre National de la Recherche Scientifique; Francia Fil: Penazzi, G.. Universitat Bremen; Alemania Fil: Persson, M.P.. No especifíca; Fil: Rezac, J.. Institute of Organic Chemistry and Biochemistry; República Checa Fil: Sanchez, Cristian Gabriel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza. Instituto Interdisciplinario de Ciencias Básicas. - Universidad Nacional de Cuyo. Instituto Interdisciplinario de Ciencias Básicas; Argentina Fil: Sternberg, M.. Argonne National Laboratory; Estados Unidos Fil: Stöhr, M.. University Of Luxembourg; Luxemburgo Fil: Stuckenberg, F.. Universitat Bremen; Alemania Fil: Tkatchenko, A.. University Of Luxembourg; Luxemburgo Fil: Yu, V.W.Z.. University of Duke; Estados Unidos Fil: Frauenheim, T.. Universitat Bremen; Alemania

Published
2020

19. Navigation through vector addition

Author

Etienne, A.S., Maurer, R., Berlie, J., Reverdin, Berlie B., Row, T., Georgakopoulos, J., and Seguinot,V.

Subjects
Hamsters -- Research, Locomotion -- Research, Navigation -- Research, Environmental issues, Science and technology, Zoology and wildlife conservation
Abstract

The ability of golden hamsters, Mesocricetus auratus, to reach familiar feeding places via variable paths without unambiguous direction and position cues was tested. The aim was to determine whether self-generated vector information has a general role in navigation. The role of vision is not completely ruled out, and it is shown that vector addition happens independently of landmark constellations.

Published
1998

24. Belastungen Pflegender Angehöriger von Menschen mit Demenz aus Sicht des Versorgungsdreiecks 'Hausärztliche Versorgung – ambulante Pflege – Pflegende Angehörige': Ergebnisse aus der PAiS-Querschnittsstudie (Pflegende

Author

Kriechmayr, C, Krutter, S, Eßl-Maurer, R, Schaffler-Schaden, D, Seymer, A, Wurm, LR, Osterbrink, J, and Flamm, M

Subjects
ddc: 610, quantitative Methoden, 610 Medical sciences, Medicine, pflegende Angehörige, Demenz
Abstract

Hintergrund: Pflegende Angehörige (PA) von Menschen mit Demenz (MmD) sind in der häuslichen Pflege vielfältigen Belastungen ausgesetzt. Um PA vor pflegebedingten Belastungen und Überlastungen zu bewahren und sie in ihrer häuslichen Pflege eines MmD zu unterstützen, kommt[zum vollständigen Text gelangen Sie über die oben angegebene URL], 52. Kongress für Allgemeinmedizin und Familienmedizin

Published
2018
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25. 17-jähriger Mann mit akuten Bauchschmerzen, Hämatochezie und Exanthem

Author

Dürr, D., Baia, R., Maurer, R., Lautenschlager, S., Schnider, A., Fliegner, M., Dürr, D., Baia, R., Maurer, R., Lautenschlager, S., Schnider, A., and Fliegner, M.

Abstract

Zusammenfassung: Ein 17-jähriger Patient stellte sich mit kolikartigen abdominellen Schmerzen und Diarrhö vor. Als weitere Symptome traten Petechien, Arthralgien und eine Hämatochezie auf. Sonographisch bestand eine auffällige Ileozökalregion. Endoskopisch fand sich eine Ileitis terminalis, und histologisch zeigte sich hier eine leukozytoklastische Vaskulitis mit IgA-Ablagerungen. Die Kasuistik zeigt exemplarisch die mehrzeitige klinische Manifestation der Purpura Schönlein-Henoch und deren Verlauf

Published
2018

26. Hausärztliche Befragung zur Belastungs- und Versorgungssituation von Menschen mit Demenz und deren pflegenden Angehörigen - Ergebnisse einer Querschnittserhebung im Rahmen der PAiS-Studie

Author

Kriechmayr, C., Krutter, S., Eßl-Maurer, R., Mann, E., Rüsing, D., Schaffler-Schaden, D., Seymer, A., Wurm, L.R., Osterbrink, J., and Flamm, M.

Subjects
ddc: 610, quantitative Methoden, 610 Medical sciences, Medicine, pflegende Angehörige, Demenz
Abstract

Hintergrund: Pflegende Angehörige (PA) von Menschen mit Demenz (MmD) sind bei der häuslichen Pflege vielfältigen Belastungen ausgesetzt, wodurch sie oftmals an ihre psychischen und physischen Grenzen stoßen. Um eine bestmögliche Betreuung von PA im Rahmen der hausärztlichen[zum vollständigen Text gelangen Sie über die oben angegebene URL], 51. Kongress für Allgemeinmedizin und Familienmedizin

Published
2017
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32. Surface freshwater storage and variability in the Amazon basin from multi-satellite observations, 1993-2007

Author

Papa, Fabrice, Frappart, F., Guntner, A., Prigent, C., Aires, F., Getirana, A. C. V., Maurer, R., GOHS, Laboratoire d'études en Géophysique et océanographie spatiales (LEGOS), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Midi-Pyrénées (OMP), Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Centre National de la Recherche Scientifique (CNRS), Géosciences Environnement Toulouse (GET), Institut national des sciences de l'Univers (INSU - CNRS)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Observatoire Midi-Pyrénées (OMP), Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD), GeoForschungsZentrum - Helmholtz-Zentrum Potsdam (GFZ), Laboratoire d'Etude du Rayonnement et de la Matière en Astrophysique (LERMA), École normale supérieure - Paris (ENS Paris), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université de Cergy Pontoise (UCP), Université Paris-Seine-Université Paris-Seine-Centre National de la Recherche Scientifique (CNRS), Estellus, GSFC Hydrological Sciences Laboratory, NASA Goddard Space Flight Center (GSFC), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Midi-Pyrénées (OMP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Centre National de la Recherche Scientifique (CNRS), and École normale supérieure - Paris (ENS-PSL)

Subjects
[SDU.OCEAN]Sciences of the Universe [physics]/Ocean, Atmosphere, [PHYS]Physics [physics], IN-SITU, DEM, SATELLITE ALTIMETRY, Civil Engineering, WETLAND DYNAMICS, GRACE, EMISSIVITIES, [PHYS.ASTR]Physics [physics]/Astrophysics [astro-ph], PROJECT, SEA-LEVEL, RIVER DISCHARGES, DROUGHT
Abstract

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V. Maurer, Raffael CNES TOSCA; OSTST; NASA's NEWS [NNDX7AO90E] This work was supported by the CNES TOSCA and OSTST grants "Variability of terrestrial freshwater storage in the Tropics from multi-satellite observations" managed by S. Cherchali and by NASA's NEWS grant NNDX7AO90E managed by Jared K. Entin. We thank Robert Dickinson and two anonymous reviewers for their constructive comments and suggestions. 0 AMER GEOPHYSICAL UNION WASHINGTON J GEOPHYS RES-ATMOS; The amount of water stored and moving through the surface water bodies of large river basins (river, floodplains, wetlands) plays a major role in the global water and biochemical cycles and is a critical parameter for water resources management. However, the spatiotemporal variations of these freshwater reservoirs are still widely unknown at the global scale. Here, we propose a hypsographic curve approach to estimate surface freshwater storage variations over the Amazon basin combining surface water extent from a multi-satellite-technique with topographic data from the Global Digital Elevation Model (GDEM) from Advance Spaceborne Thermal Emission and Reflection Radiometer (ASTER). Monthly surface water storage variations for 1993-2007 are presented, showing a strong seasonal and interannual variability, and are evaluated against in situ river discharge and precipitation. The basin-scale mean annual amplitude of similar to 1200 km(3) is in the range of previous estimates and contributes to about half of the Gravity Recovery And Climate Experiment (GRACE) total water storage variations. For the first time, we map the surface water volume anomaly during the extreme droughts of 1997 (October-November) and 2005 (September-October) and found that during these dry events the water stored in the river and floodplains of the Amazon basin was, respectively, similar to 230 (similar to 40%) and 210 (similar to 50%) km(3) below the 1993-2007 average. This new 15 year data set of surface water volume represents an unprecedented source of information for future hydrological or climate modeling of the Amazon. It is also a first step toward the development of such database at the global scale.

Published
2013

34. Evaluation of 'all weather' microwave-derived land surface temperatures with in situ CEOP measurements

Author

Catherinot, J., Prigent, Christophe, Maurer, R., Papa, F., Jimenez, Chloé, Aires, F., Rossow, W.B., National Oceanic and Atmospheric Administration (NOAA), Laboratoire d'Etude du Rayonnement et de la Matière en Astrophysique (LERMA), École normale supérieure - Paris (ENS-PSL), Université Paris sciences et lettres (PSL)-Université Paris sciences et lettres (PSL)-Université Pierre et Marie Curie - Paris 6 (UPMC)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire de Paris, Université Paris sciences et lettres (PSL)-Université de Cergy Pontoise (UCP), Université Paris-Seine-Université Paris-Seine-Centre National de la Recherche Scientifique (CNRS), NASA Goddard Institute for Space Studies (GISS), NASA Goddard Space Flight Center (GSFC), Laboratoire d'études en Géophysique et océanographie spatiales (LEGOS), Institut de Recherche pour le Développement (IRD)-Université Toulouse III - Paul Sabatier (UT3), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Midi-Pyrénées (OMP), Université de Toulouse (UT)-Université de Toulouse (UT)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Institut de Recherche pour le Développement (IRD)-Institut national des sciences de l'Univers (INSU - CNRS)-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Météo-France -Centre National de la Recherche Scientifique (CNRS), NOAA Center for Earth System Sciences and Remote Sensing Technologies (CREST), École normale supérieure - Paris (ENS Paris), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut national des sciences de l'Univers (INSU - CNRS)-Observatoire Midi-Pyrénées (OMP), and Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Météo France-Centre National d'Études Spatiales [Toulouse] (CNES)-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche pour le Développement (IRD)-Centre National de la Recherche Scientifique (CNRS)

Subjects
TEMPERATURE DE SURFACE, MESURE IN SITU, RESEAU NEURONAL, ETUDE COMPARATIVE, TELEDETECTION, [SDU.STU.OC]Sciences of the Universe [physics]/Earth Sciences/Oceanography, NUAGE
Abstract

Land surface skin temperature T s plays a key role in mete- orological and climatological processes but the availability and the accuracy of T s measurements over land are still limited, especially under cloudy con- ditions. T s estimates from infrared satellite observations can only be derived under clear sky. Passive microwave measurements are much less affected by clouds and can provide T s regardless of the cloud conditions. A neural net- work inversion including first guess information has been previously devel- oped to retrieve T s , along with atmospheric water vapor, cloud liquid wa- ter, and surface emissivities over land from Special Sensor Microwave / Im- ager measurements [ Aires et al. , 2001], with a spatial resolution of 0.25 o 0.25 o , at least twice daily. In this study, T s estimates are evaluated through care- ful comparisons with in situ measurements in different environments over a full annual cycle. Under clear sky conditions, the quality of our microwave neural network retrieval is equivalent to the infrared International Satellite Cloud Clima- tology Project products, for most in situ stations, with errors 3K as com- pared to in situ measurements. The performance of the microwave algorithm is similar under clear and cloudy conditions, confirming the potential of the microwaves under clouds. The T s accuracy does not depend upon the sur- face emissivity, as the variability of this parameter is accounted for in the processing. Our microwave T s have been calculated for more than 15 years (1993-mid2008). These "all weather" T s are a very valuable complement to the IR-derived T s , for use in atmospheric and surface models.

Published
2011

36. Quantification of finite-temperature effects on adsorption geometries of π-conjugated molecules: Azobenzene/Ag(111)

Author

Mercurio, G., Maurer, R. J., Liu, W., Hagen, S., Leyssner, F., Tegeder, P., Meyer, J., Tkatchenko, Alexandre, Soubatch, S., Reuter, K., Tautz, F. S., Mercurio, G., Maurer, R. J., Liu, W., Hagen, S., Leyssner, F., Tegeder, P., Meyer, J., Tkatchenko, Alexandre, Soubatch, S., Reuter, K., and Tautz, F. S.

Abstract

The adsorption structure of the molecular switch azobenzene on Ag(111) is investigated by a combination of normal incidence x-ray standing waves and dispersion-corrected density functional theory. The inclusion of nonlocal collective substrate response (screening) in the dispersion correction improves the description of dense monolayers of azobenzene, which exhibit a substantial torsion of the molecule. Nevertheless, for a quantitative agreement with experiment explicit consideration of the effect of vibrational mode anharmonicity on the adsorption geometry is crucial. © 2013 American Physical Society.

Published
2013

37. The Iron Distribution and Magnetic Properties of Schistosome Eggshells: Implications for Improved Diagnostics

Author

Bethony, JM, Karl, S, Gutierrez, L, Lucyk-Maurer, R, Kerr, R, Candido, RRF, Toh, SQ, Saunders, M, Shaw, JA, Suvorova, A, Hofmann, A, House, MJ, Woodward, RC, Graeff-Teixera, C, St Pierre, TG, Jones, MK, Bethony, JM, Karl, S, Gutierrez, L, Lucyk-Maurer, R, Kerr, R, Candido, RRF, Toh, SQ, Saunders, M, Shaw, JA, Suvorova, A, Hofmann, A, House, MJ, Woodward, RC, Graeff-Teixera, C, St Pierre, TG, and Jones, MK

Abstract

BACKGROUND: Schistosoma mansoni and Schistosoma japonicum are the most frequent causative agents of human intestinal schistosomiasis. Approximately 200 million people in the world are infected with schistosomes. Diagnosis of schistosomiasis is often difficult. High percentages of low level infections are missed in routine fecal smear analysis and current diagnostic methodologies are inadequate to monitor the progress of parasite control, especially in areas with low transmission. Improved diagnostic methods are urgently needed to evaluate the success of elimination programs. Recently, a magnetic fractionation method for isolation of parasite eggs from feces was described, which uses magnetic microspheres to form parasite egg - magnetic microsphere conjugates. This approach enables screening of larger sample volumes and thus increased diagnostic sensitivity. The mechanism of formation of the conjugates remains unexplained and may either be related to specific surface characteristics of eggs and microspheres or to their magnetic properties. METHODS/PRINCIPAL FINDINGS: Here, we investigated iron localization in parasite eggs, specifically in the eggshells. We determined the magnetic properties of the eggs, studied the motion of eggs and egg-microsphere conjugates in magnetic fields and determined species specific affinity of parasite eggs to magnetic microspheres. Our study shows that iron is predominantly localized in pores in the eggshell. Parasite eggs showed distinct paramagnetic behaviour but they did not move in a magnetic field. Magnetic microspheres spontaneously bound to parasite eggs without the presence of a magnetic field. S. japonicum eggs had a significantly higher affinity to bind microspheres than S. mansoni eggs. CONCLUSIONS/SIGNIFICANCE: Our results suggest that the interaction of magnetic microspheres and parasite eggs is unlikely to be magnetic in origin. Instead, the filamentous surface of the eggshells may be important in facilitating the binding.

Published
2013

38. The impact of radiotherapy in the treatment of desmoid tumours. An international survey of 110 patients. A study of the Rare Cancer Network

Author

Baumert, B G, Spahr, M O, von Hochstetter, A, Beauvois, S, Landmann, C, Fridrich, K, Villà, S, Kirschner, M J, Storme, G, Thum, P, Streuli, H K, Lombriser, N, Maurer, R, Ries, G, Bleher, E A, Willi, A, Allemann, J, Buehler, U, Blessing, H, Luetolf, U M, Davis, J B, Seifert, Burkhardt, Infanger, M, Baumert, B G, Spahr, M O, von Hochstetter, A, Beauvois, S, Landmann, C, Fridrich, K, Villà, S, Kirschner, M J, Storme, G, Thum, P, Streuli, H K, Lombriser, N, Maurer, R, Ries, G, Bleher, E A, Willi, A, Allemann, J, Buehler, U, Blessing, H, Luetolf, U M, Davis, J B, Seifert, Burkhardt, and Infanger, M

Abstract

PURPOSE: A multi-centre study to assess the value of combined surgical resection and radiotherapy for the treatment of desmoid tumours. PATIENTS AND METHODS: One hundred and ten patients from several European countries qualified for this study. Pathology slides of all patients were reviewed by an independent pathologist. Sixty-eight patients received post-operative radiotherapy and 42 surgery only. Median follow-up was 6 years (1 to 44). The progression-free survival time (PFS) and prognostic factors were analysed. RESULTS: The combined treatment with radiotherapy showed a significantly longer progression-free survival than surgical resection alone (p smaller than 0.001). Extremities could be preserved in all patients treated with combined surgery and radiotherapy for tumours located in the limb, whereas amputation was necessary for 23% of patients treated with surgery alone. A comparison of PFS for tumour locations proved the abdominal wall to be a positive prognostic factor and a localization in the extremities to be a negative prognostic factor. Additional irradiation, a fraction size larger than or equal to 2 Gy and a total dose larger than 50 Gy to the tumour were found to be positive prognostic factors with a significantly lower risk for a recurrence in the univariate analysis. This analysis revealed radiotherapy at recurrence as a significantly worse prognostic factor compared with adjuvant radiotherapy. The addition of radiotherapy to the treatment concept was a positive prognostic factor in the multivariate analysis. CONCLUSION: Postoperative radiotherapy significantly improved the PFS compared to surgery alone. Therefore it should always be considered after a non-radical tumour resection and should be given preferably in an adjuvant setting. It is effective in limb preservation and for preserving the function of joints in situations where surgery alone would result in deficits, which is especially important in young patients.

Published
2007

46. Selection and immunomagnetic purging of peripheral blood CD34+ cells for autologous transplantation in B-cell non-Hodgkin's lymphomas

Author

Pichert, G, Schmitter, D, Widmer, L, Jost, L M, Kurrer, M O, Maurer, R, Stahel, R A, Pichert, G, Schmitter, D, Widmer, L, Jost, L M, Kurrer, M O, Maurer, R, and Stahel, R A

Abstract

Background: Clonogenic tumor cells in the hematopoietic progenitor cell harvest may contribute to relapse after high dose therapy for B-cell malignancies. Purging of the HPC harvest requires large amounts of anti-B-cell antibodies, whereas CD34-selection enriches self renewing HPC's but malignant cells are still detectable in many CD34+ fractions. Patients and methods: We examined the feasability and safety of a CD34-selection followed by purging with anti-B-cell antibodies in 11 patients with B-cell non-Hodgkin's lymphomas undergoing high-dose therapy with cyclophospha-mide, BCNU and etoposide with retransfusion of autologous HPC's. Results: A mean number of 340 × 108 mononuclear cells was used for CD34-selection and immunomagnetic purging. CD34+ cells were enriched from a mean of 1.7% (range 0.2%-4.5%) to a mean of 68% (range 49%-87%) with a mean recovery of 27% (range 15%-43%). The mean number of retransfused CD34+ cells was 1.2× 106/kg (range 0.6-2.2 ×106/kg) body weight with a median of 11 days (range 10-13 days) to neutrophil recovery of 0.5×109/1 and 17 days (range 13-25 days) to platelet recovery of 50 × 109/1. Mean number of intravenous antibiotics and inpatient days were 8 (range 0-14) and 22 (range 19-26) respectively. Major toxicity consisted in four septicemias. Conclusions: CD34-selected and purged HPC's are safe and mediate rapid hematological recovery after high dose therapy for B-cell non-Hodgkin's lymphomas

Published
1998

48. The Effect of Interior Design Improvements on the Quality of Learning for Graduate Level Military Officer Students

Author

ARMY COMMAND AND GENERAL STAFF COLL FORT LEAVENWORTH KS, Maurer, R. D., ARMY COMMAND AND GENERAL STAFF COLL FORT LEAVENWORTH KS, and Maurer, R. D.

Abstract

This study determined the effect of interior design improvements on student perceptions about the physical learning environment for the United States Army Command and General Staff Officers' Course from August 1990 to June 1991. In December 1990, officers who had attended the same six courses in two adjacent classrooms were surveyed about their physical learning environment. One classroom was configured in a conventional manner; whereas, the second classroom was renovated in the spring of 1990. Renovation work included improvements to the classroom's acoustics, lighting, climate control system, and electrical circuitry. In February 1991, students attending a course in the renovated classroom were also surveyed. Previously, these students attended class in only conventional classrooms. Students perceived that the following aspects of the renovated classroom significantly enhanced their physical learning environment: lighting to read textbooks, acoustical separation among classroom staff groups, separate entrances to staff group areas, individual student desks, and electrical capacity. Moreover, students perceived several features of the renovated classroom as having made little or no improvement to their learning environment: chair comfort, location of the projection screen, location of the computer work station, and ease of use of tack boards on the renovated classroom's interior operable walls.

Published
1991

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