Pharmaceutical crystallography: is there a devil in the details?

DEFF Research Database (Denmark)

Bond, A. D.

2012-01-01

Modern instruments for small-molecule crystallography continue to become more sophisticated and more automated. This technical progress provides a basis for frontier research in chemical and pharmaceutical crystallography, but it also encourages analytical crystallographers to become more...... are presented for pharmaceutical compounds, and the potential importance of the "details" in pharmaceutical crystallography is discussed....

Crystallography: past and present

Science.gov (United States)

Hodeau, J.-L.; Guinebretiere, R.

2007-12-01

In the 19th century, crystallography referred to the study of crystal shapes. Such studies by Haüy and Bravais allowed the establishment of important hypotheses such as (i) “les molécules intégrantes qui sont censées être les plus petits solides que l’on puisse extraire d’un minéral” [1], (ii) the definition of the crystal lattice and (iii) “le cristal est clivable parallèlement à deux ou trois formes cristallines” [2]. This morphological crystallography defined a crystal like “a chemically homogeneous solid, wholly or partly bounded by natural planes that intersect at predetermined angles” [3]. It described the main symmetry elements and operations, nomenclatures of different crystal forms and also the theory of twinning. A breakthrough appeared in 1912 with the use of X-rays by M. von Laue and W.H. and W.L. Bragg. This experimental development allowed the determination of the atomic content of each unit cell constituting the crystal and defined a crystal as “any solid in which an atomic pattern is repeated periodically in three dimensions, that is, any solid that “diffracts” an incident X-ray beam” [3]. Mathematical tools like the Patterson methods, the direct methods, were developed. The way for solving crystalline structure was opened first for simple compounds and at that time crystallography was associated mainly with perfect crystals. In the fifties, crystallographers already had most apparatus and fundamental methods at their disposal; however, we had to wait for the development of computers to see the full use of these tools. Furthermore the development of new sources of neutrons, electrons and synchrotron X-rays allowed the studies of complex compounds like large macromolecules in biology. Nowadays, one of the new frontiers for crystallographers is to relate the crystal structure to its physical-chemical-biological properties, this means that an accurate structural determination is needed to focus on a selective part of the

Ultra-high resolution protein crystallography

International Nuclear Information System (INIS)

Takeda, Kazuki; Hirano, Yu; Miki, Kunio

2010-01-01

Many protein structures have been determined by X-ray crystallography and deposited with the Protein Data Bank. However, these structures at usual resolution (1.5< d<3.0 A) are insufficient in their precision and quantity for elucidating the molecular mechanism of protein functions directly from structural information. Several studies at ultra-high resolution (d<0.8 A) have been performed with synchrotron radiation in the last decade. The highest resolution of the protein crystals was achieved at 0.54 A resolution for a small protein, crambin. In such high resolution crystals, almost all of hydrogen atoms of proteins and some hydrogen atoms of bound water molecules are experimentally observed. In addition, outer-shell electrons of proteins can be analyzed by the multipole refinement procedure. However, the influence of X-rays should be precisely estimated in order to derive meaningful information from the crystallographic results. In this review, we summarize refinement procedures, current status and perspectives for ultra high resolution protein crystallography. (author)

Development of the protein crystallography by synchrotron radiation

International Nuclear Information System (INIS)

Yamamoto, Masaki

2014-01-01

Since crystal structure determination of the first protein by Kendrew in 1959, protein crystallography developed into the leading role of the protein structure study by various technology developments. Especially the utilization of synchrotron radiation from the 1990s brought innovative progress of protein crystallography on the data quality and the phasing method and had expanded the samples targets including membrane proteins and suprarmolecular complexes. Here I give the outline of the history and the future prospects of the protein crystallography from the role of synchrotron radiation. (author)

Macromolecular neutron crystallography at the Protein Crystallography Station (PCS)

OpenAIRE

Kovalevsky, Andrey; Fisher, Zoe; Johnson, Hannah; Mustyakimov, Marat; Waltman, Mary Jo; Langan, Paul

2010-01-01

The Protein Crystallography Station user facility at Los Alamos National Laboratory not only offers open access to a high-performance neutron beamline, but also actively supports and develops new methods in protein expression, deuteration, purification, robotic crystallization and the synthesis of substrates with stable isotopes and provides assistance with data-reduction and structure-refinement software and comprehensive neutron structure analysis.

Development of an online UV–visible microspectrophotometer for a macromolecular crystallography beamline

Energy Technology Data Exchange (ETDEWEB)

Shimizu, Nobutaka, E-mail: nobutaka.shimizu@kek.jp [SPring-8/JASRI, 1-1-1 Koto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); High Energy Accelerator Research Organization (KEK), 1-1 Oho, Tsukuba, Ibaraki 305-0801 (Japan); Shimizu, Tetsuya [RIKEN SPring-8 Center, 1-1-1 Koto, Sayo-cho, Sayo-gun, Hyogo 679-5148 (Japan); Baba, Seiki; Hasegawa, Kazuya [SPring-8/JASRI, 1-1-1 Koto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan); Yamamoto, Masaki [RIKEN SPring-8 Center, 1-1-1 Koto, Sayo-cho, Sayo-gun, Hyogo 679-5148 (Japan); Kumasaka, Takashi [SPring-8/JASRI, 1-1-1 Koto, Sayo-cho, Sayo-gun, Hyogo 679-5198 (Japan)

2013-11-01

An online UV–visible microspectrophotometer has been developed for the macromolecular crystallography beamline at SPring-8. Details of this spectrophotometer are reported. Measurement of the UV–visible absorption spectrum is a convenient technique for detecting chemical changes of proteins, and it is therefore useful to combine spectroscopy and diffraction studies. An online microspectrophotometer for the UV–visible region was developed and installed on the macromolecular crystallography beamline, BL38B1, at SPring-8. This spectrophotometer is equipped with a difference dispersive double monochromator, a mercury–xenon lamp as the light source, and a photomultiplier as the detector. The optical path is mostly constructed using mirrors, in order to obtain high brightness in the UV region, and the confocal optics are assembled using a cross-slit diaphragm like an iris to eliminate stray light. This system can measure optical densities up to a maximum of 4.0. To study the effect of radiation damage, preliminary measurements of glucose isomerase and thaumatin crystals were conducted in the UV region. Spectral changes dependent on X-ray dose were observed at around 280 nm, suggesting that structural changes involving Trp or Tyr residues occurred in the protein crystal. In the case of the thaumatin crystal, a broad peak around 400 nm was also generated after X-ray irradiation, suggesting the cleavage of a disulfide bond. Dose-dependent spectral changes were also observed in cryo-solutions alone, and these changes differed with the composition of the cryo-solution. These responses in the UV region are informative regarding the state of the sample; consequently, this device might be useful for X-ray crystallography.

History of protein crystallography in China

OpenAIRE

Rao, Zihe

2007-01-01

China has a strong background in X-ray crystallography dating back to the 1920s. Protein crystallography research in China was first developed following the successful synthesis of insulin in China in 1966. The subsequent determination of the three-dimensional structure of porcine insulin made China one of the few countries which could determine macromolecular structures by X-ray diffraction methods in the late 1960s and early 1970s. After a slow period during the 1970s and 1980s, protein cry...

In situ macromolecular crystallography using microbeams.

Science.gov (United States)

Axford, Danny; Owen, Robin L; Aishima, Jun; Foadi, James; Morgan, Ann W; Robinson, James I; Nettleship, Joanne E; Owens, Raymond J; Moraes, Isabel; Fry, Elizabeth E; Grimes, Jonathan M; Harlos, Karl; Kotecha, Abhay; Ren, Jingshan; Sutton, Geoff; Walter, Thomas S; Stuart, David I; Evans, Gwyndaf

2012-05-01

Despite significant progress in high-throughput methods in macromolecular crystallography, the production of diffraction-quality crystals remains a major bottleneck. By recording diffraction in situ from crystals in their crystallization plates at room temperature, a number of problems associated with crystal handling and cryoprotection can be side-stepped. Using a dedicated goniometer installed on the microfocus macromolecular crystallography beamline I24 at Diamond Light Source, crystals have been studied in situ with an intense and flexible microfocus beam, allowing weakly diffracting samples to be assessed without a manual crystal-handling step but with good signal to noise, despite the background scatter from the plate. A number of case studies are reported: the structure solution of bovine enterovirus 2, crystallization screening of membrane proteins and complexes, and structure solution from crystallization hits produced via a high-throughput pipeline. These demonstrate the potential for in situ data collection and structure solution with microbeams. © 2012 International Union of Crystallography

X-Ray Crystallography: One Century of Nobel Prizes

Science.gov (United States)

Galli, Simona

2014-01-01

In 2012, the United Nations General Assembly declared 2014 the International Year of Crystallography. Throughout the year 2014 and beyond, all the crystallographic associations and societies active all over the world are organizing events to attract the wider public toward crystallography and the numerous topics to which it is deeply interlinked.…

Fragment-based screening by protein crystallography: successes and pitfalls.

Science.gov (United States)

Chilingaryan, Zorik; Yin, Zhou; Oakley, Aaron J

2012-10-08

Fragment-based drug discovery (FBDD) concerns the screening of low-molecular weight compounds against macromolecular targets of clinical relevance. These compounds act as starting points for the development of drugs. FBDD has evolved and grown in popularity over the past 15 years. In this paper, the rationale and technology behind the use of X-ray crystallography in fragment based screening (FBS) will be described, including fragment library design and use of synchrotron radiation and robotics for high-throughput X-ray data collection. Some recent uses of crystallography in FBS will be described in detail, including interrogation of the drug targets β-secretase, phenylethanolamine N-methyltransferase, phosphodiesterase 4A and Hsp90. These examples provide illustrations of projects where crystallography is straightforward or difficult, and where other screening methods can help overcome the limitations of crystallography necessitated by diffraction quality.

Fragment-Based Screening by Protein Crystallography: Successes and Pitfalls

Directory of Open Access Journals (Sweden)

Aaron J. Oakley

2012-10-01

Full Text Available Fragment-based drug discovery (FBDD concerns the screening of low-molecular weight compounds against macromolecular targets of clinical relevance. These compounds act as starting points for the development of drugs. FBDD has evolved and grown in popularity over the past 15 years. In this paper, the rationale and technology behind the use of X-ray crystallography in fragment based screening (FBS will be described, including fragment library design and use of synchrotron radiation and robotics for high-throughput X-ray data collection. Some recent uses of crystallography in FBS will be described in detail, including interrogation of the drug targets β-secretase, phenylethanolamine N-methyltransferase, phosphodiesterase 4A and Hsp90. These examples provide illustrations of projects where crystallography is straightforward or difficult, and where other screening methods can help overcome the limitations of crystallography necessitated by diffraction quality.

High-pressure crystallography

Science.gov (United States)

Katrusiak, A.

2008-01-01

The history and development of high-pressure crystallography are briefly described and examples of structural transformations in compressed compounds are given. The review is focused on the diamond-anvil cell, celebrating its 50th anniversary this year, the principles of its operation and the impact it has had on high-pressure X-ray diffraction.

Fab Chaperone-Assisted RNA Crystallography (Fab CARC).

Science.gov (United States)

Sherman, Eileen; Archer, Jennifer; Ye, Jing-Dong

2016-01-01

Recent discovery of structured RNAs such as ribozymes and riboswitches shows that there is still much to learn about the structure and function of RNAs. Knowledge learned can be employed in both biochemical research and clinical applications. X-ray crystallography gives unparalleled atomic-level structural detail from which functional inferences can be deduced. However, the difficulty in obtaining high-quality crystals and their phasing information make it a very challenging task. RNA crystallography is particularly arduous due to several factors such as RNA's paucity of surface chemical diversity, lability, repetitive anionic backbone, and flexibility, all of which are counterproductive to crystal packing. Here we describe Fab chaperone assisted RNA crystallography (CARC), a systematic technique to increase RNA crystallography success by facilitating crystal packing as well as expediting phase determination through molecular replacement of conserved Fab domains. Major steps described in this chapter include selection of a synthetic Fab library displayed on M13 phage against a structured RNA crystallization target, ELISA for initial choice of binding Fabs, Fab expression followed by protein A affinity then cation exchange chromatography purification, final choice of Fab by binding specificity and affinity as determined by a dot blot assay, and lastly gel filtration purification of a large quantity of chosen Fabs for crystallization.

Macromolecular crystallography beamline X25 at the NSLS

Energy Technology Data Exchange (ETDEWEB)

Héroux, Annie; Allaire, Marc; Buono, Richard; Cowan, Matthew L.; Dvorak, Joseph; Flaks, Leon; LaMarra, Steven; Myers, Stuart F.; Orville, Allen M.; Robinson, Howard H.; Roessler, Christian G.; Schneider, Dieter K.; Shea-McCarthy, Grace; Skinner, John M.; Skinner, Michael; Soares, Alexei S.; Sweet, Robert M.; Berman, Lonny E., E-mail: berman@bnl.gov [Brookhaven National Laboratory, PO Box 5000, Upton, NY 11973-5000 (United States)

2014-04-08

A description of the upgraded beamline X25 at the NSLS, operated by the PXRR and the Photon Sciences Directorate serving the Macromolecular Crystallography community, is presented. Beamline X25 at the NSLS is one of the five beamlines dedicated to macromolecular crystallography operated by the Brookhaven National Laboratory Macromolecular Crystallography Research Resource group. This mini-gap insertion-device beamline has seen constant upgrades for the last seven years in order to achieve mini-beam capability down to 20 µm × 20 µm. All major components beginning with the radiation source, and continuing along the beamline and its experimental hutch, have changed to produce a state-of-the-art facility for the scientific community.

Macromolecular crystallography beamline X25 at the NSLS

International Nuclear Information System (INIS)

Héroux, Annie; Allaire, Marc; Buono, Richard; Cowan, Matthew L.; Dvorak, Joseph; Flaks, Leon; LaMarra, Steven; Myers, Stuart F.; Orville, Allen M.; Robinson, Howard H.; Roessler, Christian G.; Schneider, Dieter K.; Shea-McCarthy, Grace; Skinner, John M.; Skinner, Michael; Soares, Alexei S.; Sweet, Robert M.; Berman, Lonny E.

2014-01-01

A description of the upgraded beamline X25 at the NSLS, operated by the PXRR and the Photon Sciences Directorate serving the Macromolecular Crystallography community, is presented. Beamline X25 at the NSLS is one of the five beamlines dedicated to macromolecular crystallography operated by the Brookhaven National Laboratory Macromolecular Crystallography Research Resource group. This mini-gap insertion-device beamline has seen constant upgrades for the last seven years in order to achieve mini-beam capability down to 20 µm × 20 µm. All major components beginning with the radiation source, and continuing along the beamline and its experimental hutch, have changed to produce a state-of-the-art facility for the scientific community

Metalloprotein Crystallography: More than a Structure.

Science.gov (United States)

Bowman, Sarah E J; Bridwell-Rabb, Jennifer; Drennan, Catherine L

2016-04-19

advanced detectors, and the incorporation of spectroscopic equipment at a number of synchrotron beamlines, have yielded exciting developments in metalloprotein structure determination. Here we will present results on the advantageous uses of metals in metalloprotein crystallography, including using metallocofactors to obtain phasing information, using K-edge X-ray absorption spectroscopy to identify metals coordinated in metalloprotein crystals, and using UV-vis spectroscopy on crystals to probe the enzymatic activity of the crystallized protein.

Nanoflow electrospinning serial femtosecond crystallography

International Nuclear Information System (INIS)

Sierra, Raymond G.; Laksmono, Hartawan; Kern, Jan; Tran, Rosalie; Hattne, Johan; Alonso-Mori, Roberto; Lassalle-Kaiser, Benedikt; Glöckner, Carina; Hellmich, Julia; Schafer, Donald W.; Echols, Nathaniel; Gildea, Richard J.; Grosse-Kunstleve, Ralf W.; Sellberg, Jonas; McQueen, Trevor A.; Fry, Alan R.; Messerschmidt, Marc M.; Miahnahri, Alan; Seibert, M. Marvin; Hampton, Christina Y.; Starodub, Dmitri; Loh, N. Duane; Sokaras, Dimosthenis; Weng, Tsu-Chien; Zwart, Petrus H.; Glatzel, Pieter; Milathianaki, Despina; White, William E.; Adams, Paul D.; Williams, Garth J.; Boutet, Sébastien; Zouni, Athina; Messinger, Johannes; Sauter, Nicholas K.; Bergmann, Uwe; Yano, Junko; Yachandra, Vittal K.; Bogan, Michael J.

2012-01-01

A low flow rate liquid microjet method for delivery of hydrated protein crystals to X-ray lasers is presented. Linac Coherent Light Source data demonstrates serial femtosecond protein crystallography with micrograms, a reduction of sample consumption by orders of magnitude. An electrospun liquid microjet has been developed that delivers protein microcrystal suspensions at flow rates of 0.14–3.1 µl min −1 to perform serial femtosecond crystallography (SFX) studies with X-ray lasers. Thermolysin microcrystals flowed at 0.17 µl min −1 and diffracted to beyond 4 Å resolution, producing 14 000 indexable diffraction patterns, or four per second, from 140 µg of protein. Nanoflow electrospinning extends SFX to biological samples that necessitate minimal sample consumption

Nanoflow electrospinning serial femtosecond crystallography

Energy Technology Data Exchange (ETDEWEB)

Sierra, Raymond G.; Laksmono, Hartawan [SLAC National Accelerator Laboratory, Menlo Park, CA 94025 (United States); Kern, Jan [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); SLAC National Accelerator Laboratory, Menlo Park, CA 94025 (United States); Tran, Rosalie; Hattne, Johan [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Alonso-Mori, Roberto [SLAC National Accelerator Laboratory, Menlo Park, CA 94025 (United States); Lassalle-Kaiser, Benedikt [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Glöckner, Carina; Hellmich, Julia [Technische Universität Berlin, Strasse des 17 Juni 135, 10623 Berlin (Germany); Schafer, Donald W. [SLAC National Accelerator Laboratory, Menlo Park, CA 94025 (United States); Echols, Nathaniel; Gildea, Richard J.; Grosse-Kunstleve, Ralf W. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Sellberg, Jonas [SLAC National Accelerator Laboratory, Menlo Park, CA 94025 (United States); Stockholm University, S-106 91 Stockholm (Sweden); McQueen, Trevor A. [Stanford University, Stanford, CA 94025 (United States); Fry, Alan R.; Messerschmidt, Marc M.; Miahnahri, Alan; Seibert, M. Marvin; Hampton, Christina Y.; Starodub, Dmitri; Loh, N. Duane; Sokaras, Dimosthenis; Weng, Tsu-Chien [SLAC National Accelerator Laboratory, Menlo Park, CA 94025 (United States); Zwart, Petrus H. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Glatzel, Pieter [European Synchrotron Radiation Facility, Grenoble (France); Milathianaki, Despina; White, William E. [SLAC National Accelerator Laboratory, Menlo Park, CA 94025 (United States); Adams, Paul D. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Williams, Garth J.; Boutet, Sébastien [SLAC National Accelerator Laboratory, Menlo Park, CA 94025 (United States); Zouni, Athina [Technische Universität Berlin, Strasse des 17 Juni 135, 10623 Berlin (Germany); Messinger, Johannes [Umeå Universitet, Umeå (Sweden); Sauter, Nicholas K. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Bergmann, Uwe [SLAC National Accelerator Laboratory, Menlo Park, CA 94025 (United States); Yano, Junko; Yachandra, Vittal K. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Bogan, Michael J., E-mail: mbogan@slac.stanford.edu [SLAC National Accelerator Laboratory, Menlo Park, CA 94025 (United States); SLAC National Accelerator Laboratory, Menlo Park, CA 94025 (United States)

2012-11-01

A low flow rate liquid microjet method for delivery of hydrated protein crystals to X-ray lasers is presented. Linac Coherent Light Source data demonstrates serial femtosecond protein crystallography with micrograms, a reduction of sample consumption by orders of magnitude. An electrospun liquid microjet has been developed that delivers protein microcrystal suspensions at flow rates of 0.14–3.1 µl min{sup −1} to perform serial femtosecond crystallography (SFX) studies with X-ray lasers. Thermolysin microcrystals flowed at 0.17 µl min{sup −1} and diffracted to beyond 4 Å resolution, producing 14 000 indexable diffraction patterns, or four per second, from 140 µg of protein. Nanoflow electrospinning extends SFX to biological samples that necessitate minimal sample consumption.

Quantum crystallography: A perspective.

Science.gov (United States)

Massa, Lou; Matta, Chérif F

2018-06-30

Extraction of the complete quantum mechanics from X-ray scattering data is the ultimate goal of quantum crystallography. This article delivers a perspective for that possibility. It is desirable to have a method for the conversion of X-ray diffraction data into an electron density that reflects the antisymmetry of an N-electron wave function. A formalism for this was developed early on for the determination of a constrained idempotent one-body density matrix. The formalism ensures pure-state N-representability in the single determinant sense. Applications to crystals show that quantum mechanical density matrices of large molecules can be extracted from X-ray scattering data by implementing a fragmentation method termed the kernel energy method (KEM). It is shown how KEM can be used within the context of quantum crystallography to derive quantum mechanical properties of biological molecules (with low data-to-parameters ratio). © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

Crystallography and environment development

International Nuclear Information System (INIS)

Radwan, M.M.

1992-01-01

Crystallography, the study of atomic and molecular structure, has given detailed information about the fine-structure of the inorganic and living world-i.e. about the environment (in the widest sense of the world)-. It has contributed to geology (at the atomic level), crystal chemistry, the structure of minerals, soils and clays. In the case of the living world it has contributed to structural studies of biological molecules; proteins, nucleic acids (DNA and RNA), and polysaccharides. knowing how the atoms in a material are arranged allows to understand the relationship between atomic structure and properties of these materials. Today we are entering a new age in crystallography-the age of genetic engineering in the living world, and inorganic crystallographic engineering, where we use crystallographic information from the structures nature has given us, to begin to design and build structure of our own, of specified properties, aiming at the welfare of man and the development of his environment

Crystallography of quasicrystals concepts, methods and structures

CERN Document Server

Walter, Steurer

2009-01-01

From tilings to quasicrystal structures and from surfaces to the n-dimensional approach, this book gives a full, self-contained in-depth description of the crystallography of quasicrystals. It aims not only at conveying the concepts and a precise picture of the structures of quasicrystals, butit also enables the interested reader to enter the field of quasicrystal structure analysis. Going beyond metallic quasicrystals, it also describes the new, dynamically growing field of photonic quasicrystals. The readership will be graduate students and researchers in crystallography, solid-state physics, materials science, solid- state chemistry and applied mathematics.

Crystallography and Drug Design

Indian Academy of Sciences (India)

Home; Journals; Resonance – Journal of Science Education; Volume 19; Issue 12. Crystallography and Drug Design. K Suguna. General Article Volume 19 Issue 12 December 2014 pp 1093-1103. Fulltext. Click here to view fulltext PDF. Permanent link: https://www.ias.ac.in/article/fulltext/reso/019/12/1093-1103. Keywords.

The founding and development of X-ray crystallography

International Nuclear Information System (INIS)

Mai Zhenhong

2014-01-01

2014 is the centennial of X-ray crystallography. Crystals have played an important role in our lives and in the development of society throughout these 100 years. In July 2012 the 66th General Assembly of the United Nations declared 2014 to be the official International Year of Crystallography (IYCr2014). The discovery of X-ray diffraction by crystals has had a profound impact on science and technology worldwide. It provides for us a distinct image of the arrangement of atoms or/and molecules in crystals. The development of X-ray spectroscopy has made it possible for us to understand the laws of atomic structure, and thus to identify the elements in all kinds of matter. In this article the greatest events in the history of X-ray crystallography, including the development of X-ray sources, detectors, experimental data analysis, and experimental methods are reviewed to commemorate the pioneers who made such important contributions to science and technology. (author)

Development of an online UV-visible microspectrophotometer for a macromolecular crystallography beamline.

Science.gov (United States)

Shimizu, Nobutaka; Shimizu, Tetsuya; Baba, Seiki; Hasegawa, Kazuya; Yamamoto, Masaki; Kumasaka, Takashi

2013-11-01

Measurement of the UV-visible absorption spectrum is a convenient technique for detecting chemical changes of proteins, and it is therefore useful to combine spectroscopy and diffraction studies. An online microspectrophotometer for the UV-visible region was developed and installed on the macromolecular crystallography beamline, BL38B1, at SPring-8. This spectrophotometer is equipped with a difference dispersive double monochromator, a mercury-xenon lamp as the light source, and a photomultiplier as the detector. The optical path is mostly constructed using mirrors, in order to obtain high brightness in the UV region, and the confocal optics are assembled using a cross-slit diaphragm like an iris to eliminate stray light. This system can measure optical densities up to a maximum of 4.0. To study the effect of radiation damage, preliminary measurements of glucose isomerase and thaumatin crystals were conducted in the UV region. Spectral changes dependent on X-ray dose were observed at around 280 nm, suggesting that structural changes involving Trp or Tyr residues occurred in the protein crystal. In the case of the thaumatin crystal, a broad peak around 400 nm was also generated after X-ray irradiation, suggesting the cleavage of a disulfide bond. Dose-dependent spectral changes were also observed in cryo-solutions alone, and these changes differed with the composition of the cryo-solution. These responses in the UV region are informative regarding the state of the sample; consequently, this device might be useful for X-ray crystallography.

A pixel detector for the protein crystallography beamline at the SLS

CERN Document Server

Brönnimann, C; Eikenberry, E F; Fischer, P; Florin, S; Horisberger, R P; Lindner, Manfred; Schmitt, B; Schulze, C

2002-01-01

At the Paul Scherrer Institute a new synchrotron light source is currently under construction, the Swiss Light Source (SLS), which will be operational in summer 2001. Among the first beamlines is a high brightness, micro-focusing protein crystallography beamline. It will be equipped with a pixel detector, which has several features of interest for the next generation of protein crystallography detectors. The point spread function and the effect of charge sharing was measured with a prototype detector in a test experiment at the European Synchrotron Radiation Facility in Grenoble. The concepts of the SLS pixel detector is presented as well as test results from radiation hard prototype chips.

Serial Femtosecond Crystallography

OpenAIRE

Chapman, Henry N.

2015-01-01

X-ray free-electron lasers produce brief flashes of X-rays that are of about a billion times higher peak brightness than achievable from storage ring sources. Such a tremendous jump in X-ray source capabilities, which came in 2009 when the Linac Coherent Light Source began operations, was unprecedented in the history of X-ray science. Protein structure determination through the method of macromolecular crystallography has consistently benefited from the many increases in source performance fr...

Crystallography across the Sciences 2

NARCIS (Netherlands)

Schenk, H.

2008-01-01

This second commemorative compilation from the IUCr contains 24 invited articles, all refereed, from some of today's most eminent crystallographers. The articles describe state-of-the-art research in which crystallography has played a major role, and are intended to be attractive for a broad

Status and prospects of macromolecular crystallography

Indian Academy of Sciences (India)

technique that could be completely automated in most cases. ... major challenge in macromolecular crystallography today is ... tial characterization of crystals in the home source and make a ... opportunities for a generation of structural biolo-.

Cell emulation and preliminary results.

Science.gov (United States)

2016-07-01

This report details preliminary results of the testing plan implemented by the Hawaii Natural Energy Institute to evaluate Electric Vehicle (EV) battery durability and reliability under electric utility grid operations. Commercial EV battery cells ar...

Antares: preliminary demonstrator results

International Nuclear Information System (INIS)

Kouchner, A.

2000-05-01

The ANTARES collaboration is building an undersea neutrino telescope off Toulon (Mediterranean sea) with effective area ∼ 0.1 km 2 . An extensive study of the site properties has been achieved together with software analysis in order to optimize the performance of the detector. Results are summarized here. An instrumented line, linked to shore for first time via an electro-optical cable, has been immersed late 1999. The preliminary results of this demonstrator line are reported. (author)

The Beginnings of X-ray Crystallography

Indian Academy of Sciences (India)

IAS Admin

significant change in his career came in 1904 when he gave a talk at Dunedin on ... In his personal reminiscences, W L Bragg talks about his school days in Australia. ... two Braggs on the occasion of the International Year of Crystallography .

Automated data collection for macromolecular crystallography.

Science.gov (United States)

Winter, Graeme; McAuley, Katherine E

2011-09-01

An overview, together with some practical advice, is presented of the current status of the automation of macromolecular crystallography (MX) data collection, with a focus on MX beamlines at Diamond Light Source, UK. Copyright © 2011 Elsevier Inc. All rights reserved.

Optimizing the Recognition of Surface Crystallography

Czech Academy of Sciences Publication Activity Database

Frank, Luděk; Mika, Filip; Müllerová, Ilona

2015-01-01

Roč. 21, S4 (2015), s. 124-129 ISSN 1431-9276 R&D Projects: GA MŠk(CZ) LO1212 Institutional support: RVO:68081731 Keywords : surface crystallography Subject RIV: JA - Electronics ; Optoelectronics, Electrical Engineering Impact factor: 1.730, year: 2015

Watching proteins function with time-resolved x-ray crystallography

Science.gov (United States)

Šrajer, Vukica; Schmidt, Marius

2017-09-01

Macromolecular crystallography was immensely successful in the last two decades. To a large degree this success resulted from use of powerful third generation synchrotron x-ray sources. An expansive database of more than 100 000 protein structures, of which many were determined at resolution better than 2 Å, is available today. With this achievement, the spotlight in structural biology is shifting from determination of static structures to elucidating dynamic aspects of protein function. A powerful tool for addressing these aspects is time-resolved crystallography, where a genuine biological function is triggered in the crystal with a goal of capturing molecules in action and determining protein kinetics and structures of intermediates (Schmidt et al 2005a Methods Mol. Biol. 305 115-54, Schmidt 2008 Ultrashort Laser Pulses in Biology and Medicine (Berlin: Springer) pp 201-41, Neutze and Moffat 2012 Curr. Opin. Struct. Biol. 22 651-9, Šrajer 2014 The Future of Dynamic Structural Science (Berlin: Springer) pp 237-51). In this approach, short and intense x-ray pulses are used to probe intermediates in real time and at room temperature, in an ongoing reaction that is initiated synchronously and rapidly in the crystal. Time-resolved macromolecular crystallography with 100 ps time resolution at synchrotron x-ray sources is in its mature phase today, particularly for studies of reversible, light-initiated reactions. The advent of the new free electron lasers for hard x-rays (XFELs; 5-20 keV), which provide exceptionally intense, femtosecond x-ray pulses, marks a new frontier for time-resolved crystallography. The exploration of ultra-fast events becomes possible in high-resolution structural detail, on sub-picosecond time scales (Tenboer et al 2014 Science 346 1242-6, Barends et al 2015 Science 350 445-50, Pande et al 2016 Science 352 725-9). We review here state-of-the-art time-resolved crystallographic experiments both at synchrotrons and XFELs. We also outline

AutoDrug: fully automated macromolecular crystallography workflows for fragment-based drug discovery

International Nuclear Information System (INIS)

Tsai, Yingssu; McPhillips, Scott E.; González, Ana; McPhillips, Timothy M.; Zinn, Daniel; Cohen, Aina E.; Feese, Michael D.; Bushnell, David; Tiefenbrunn, Theresa; Stout, C. David; Ludaescher, Bertram; Hedman, Britt; Hodgson, Keith O.; Soltis, S. Michael

2013-01-01

New software has been developed for automating the experimental and data-processing stages of fragment-based drug discovery at a macromolecular crystallography beamline. A new workflow-automation framework orchestrates beamline-control and data-analysis software while organizing results from multiple samples. AutoDrug is software based upon the scientific workflow paradigm that integrates the Stanford Synchrotron Radiation Lightsource macromolecular crystallography beamlines and third-party processing software to automate the crystallography steps of the fragment-based drug-discovery process. AutoDrug screens a cassette of fragment-soaked crystals, selects crystals for data collection based on screening results and user-specified criteria and determines optimal data-collection strategies. It then collects and processes diffraction data, performs molecular replacement using provided models and detects electron density that is likely to arise from bound fragments. All processes are fully automated, i.e. are performed without user interaction or supervision. Samples can be screened in groups corresponding to particular proteins, crystal forms and/or soaking conditions. A single AutoDrug run is only limited by the capacity of the sample-storage dewar at the beamline: currently 288 samples. AutoDrug was developed in conjunction with RestFlow, a new scientific workflow-automation framework. RestFlow simplifies the design of AutoDrug by managing the flow of data and the organization of results and by orchestrating the execution of computational pipeline steps. It also simplifies the execution and interaction of third-party programs and the beamline-control system. Modeling AutoDrug as a scientific workflow enables multiple variants that meet the requirements of different user groups to be developed and supported. A workflow tailored to mimic the crystallography stages comprising the drug-discovery pipeline of CoCrystal Discovery Inc. has been deployed and successfully

Serial Millisecond Crystallography of Membrane Proteins.

Science.gov (United States)

Jaeger, Kathrin; Dworkowski, Florian; Nogly, Przemyslaw; Milne, Christopher; Wang, Meitian; Standfuss, Joerg

2016-01-01

Serial femtosecond crystallography (SFX) at X-ray free-electron lasers (XFELs) is a powerful method to determine high-resolution structures of pharmaceutically relevant membrane proteins. Recently, the technology has been adapted to carry out serial millisecond crystallography (SMX) at synchrotron sources, where beamtime is more abundant. In an injector-based approach, crystals grown in lipidic cubic phase (LCP) or embedded in viscous medium are delivered directly into the unattenuated beam of a microfocus beamline. Pilot experiments show the application of microjet-based SMX for solving the structure of a membrane protein and compatibility of the method with de novo phasing. Planned synchrotron upgrades, faster detectors and software developments will go hand-in-hand with developments at free-electron lasers to provide a powerful methodology for solving structures from microcrystals at room temperature, ligand screening or crystal optimization for time-resolved studies with minimal or no radiation damage.

The Cambridge crystallography subroutine library

International Nuclear Information System (INIS)

Brown, P.J.; Matthewman, J.C.

1981-06-01

This manual is an amalgamation of the original Cambridge Crystallography Subroutine Library Mark II manual and its supplement No I. The original Mark II system, a set of FORTRAN Subroutines which can be used for standard crystallographic calculations, has been extended to include facilities for conventional least squares refinement. Several new routines have also been added. (U.K.)

Chemical Crystallography· From Inception to Maturity

Indian Academy of Sciences (India)

design, charge density ... did not readily accept this first chemical crystallography experi- .... graphics. The packages clearly illustrate the complexity involved in both molecu- ... interactive online programs help to search, match and analyze.

Crystallography and Interphase Boundary of Martensite and Bainite in Steels

Science.gov (United States)

Furuhara, Tadashi; Chiba, Tadachika; Kaneshita, Takeshi; Wu, Huidong; Miyamoto, Goro

2017-06-01

Grain refinements in lath martensite and bainite structures are crucial for strengthening and toughening of high-strength structural steels. Clearly, crystallography of transformation plays an important role in determining the "grain" sizes in these structures. In the present study, crystallography and intrinsic boundary structure of martensite and bainite are described. Furthermore, various extrinsic factors affecting variant selection and growth kinetics, such as elastic/plastic strain and alloying effects on interphase boundary migration, are discussed.

Preliminary results of steel containment vessel model test

International Nuclear Information System (INIS)

Matsumoto, T.; Komine, K.; Arai, S.

1997-01-01

A high pressure test of a mixed-scaled model (1:10 in geometry and 1:4 in shell thickness) of a steel containment vessel (SCV), representing an improved boiling water reactor (BWR) Mark II containment, was conducted on December 11-12, 1996 at Sandia National Laboratories. This paper describes the preliminary results of the high pressure test. In addition, the preliminary post-test measurement data and the preliminary comparison of test data with pretest analysis predictions are also presented

Why do We Trust X-ray Crystallography?

Indian Academy of Sciences (India)

IAS Admin

crystal X-ray diffraction pattern and good chemical sense that elevates X-ray crystallography to its position as the most trusted analytical technique. Suggested Reading. [1] William Clegg, Crystal Structure Determination, Oxford Chemistry Prim-.

Macromolecular crystallography research at Trombay

International Nuclear Information System (INIS)

Kannan, K.K.; Chidamrabam, R.

1983-01-01

Neutron diffraction studies of hydrogen positions in small molecules of biological interest at Trombay have provided valuable information that has been used in protein and enzyme structure model-building and in developing hydrogen bond potential functions. The new R-5 reactor is expected to provide higher neutron fluxes and also make possible small-angle neutron scattering studies of large biomolecules and bio-aggregates. In the last few years infrastructure facilities have also been established for macromolecular x-ray crystallography research. Meanwhile, the refinement of carbonic hydrases and lyysozyme structures have been carried out and interesting results obtained on protein dynamics and structure-function relationships. Some interesting presynaptic toxin phospholipases have also taken up for study. (author)

The design of macromolecular crystallography diffraction experiments

International Nuclear Information System (INIS)

Evans, Gwyndaf; Axford, Danny; Owen, Robin L.

2011-01-01

Thoughts about the decisions made in designing macromolecular X-ray crystallography experiments at synchrotron beamlines are presented. The measurement of X-ray diffraction data from macromolecular crystals for the purpose of structure determination is the convergence of two processes: the preparation of diffraction-quality crystal samples on the one hand and the construction and optimization of an X-ray beamline and end station on the other. Like sample preparation, a macromolecular crystallography beamline is geared to obtaining the best possible diffraction measurements from crystals provided by the synchrotron user. This paper describes the thoughts behind an experiment that fully exploits both the sample and the beamline and how these map into everyday decisions that users can and should make when visiting a beamline with their most precious crystals

The protein micro-crystallography beamlines for targeted protein research program

International Nuclear Information System (INIS)

Hirata, Kunio; Yamamoto, Masaki; Matsugaki, Naohiro; Wakatsuki, Soichi

2010-01-01

In order to collect proper diffraction data from outstanding micro-crystals, a brand-new data collection system should be designed to provide high signal-to noise ratio in diffraction images. SPring-8 and KEK-PF are currently developing two micro-beam beamlines for Targeted Proteins Research Program by MEXT of Japan. The program aims to reveal the structure and function of proteins that are difficult to solve but have great importance in both academic research and industrial application. At SPring-8, a new 1-micron beam beamline for protein micro-crystallography, RIKEN Targeted Proteins Beamline (BL32XU), is developed. At KEK-PF a new low energy micro-beam beamline, BL-1A, is dedicated for SAD micro-crystallography. The two beamlines will start operation in the end of 2010. The present status of the research and development for protein micro-crystallography will be presented. (author)

Native sulfur/chlorine SAD phasing for serial femtosecond crystallography

International Nuclear Information System (INIS)

Nakane, Takanori; Song, Changyong; Suzuki, Mamoru; Nango, Eriko; Kobayashi, Jun; Masuda, Tetsuya; Inoue, Shigeyuki; Mizohata, Eiichi; Nakatsu, Toru; Tanaka, Tomoyuki; Tanaka, Rie; Shimamura, Tatsuro; Tono, Kensuke; Joti, Yasumasa; Kameshima, Takashi; Hatsui, Takaki; Yabashi, Makina; Nureki, Osamu; Iwata, So; Sugahara, Michihiro

2015-01-01

Sulfur SAD phasing facilitates the structure determination of diverse native proteins using femtosecond X-rays from free-electron lasers via serial femtosecond crystallography. Serial femtosecond crystallography (SFX) allows structures to be determined with minimal radiation damage. However, phasing native crystals in SFX is not very common. Here, the structure determination of native lysozyme from single-wavelength anomalous diffraction (SAD) by utilizing the anomalous signal of sulfur and chlorine at a wavelength of 1.77 Å is successfully demonstrated. This sulfur SAD method can be applied to a wide range of proteins, which will improve the determination of native crystal structures

Watching proteins function with time-resolved x-ray crystallography

Energy Technology Data Exchange (ETDEWEB)

Šrajer, Vukica; Schmidt, Marius

2017-08-22

Macromolecular crystallography was immensely successful in the last two decades. To a large degree this success resulted from use of powerful third generation synchrotron x-ray sources. An expansive database of more than 100 000 protein structures, of which many were determined at resolution better than 2 Å, is available today. With this achievement, the spotlight in structural biology is shifting from determination of static structures to elucidating dynamic aspects of protein function. A powerful tool for addressing these aspects is time-resolved crystallography, where a genuine biological function is triggered in the crystal with a goal of capturing molecules in action and determining protein kinetics and structures of intermediates (Schmidt et al 2005a Methods Mol. Biol. 305 115–54, Schmidt 2008 Ultrashort Laser Pulses in Biology and Medicine (Berlin: Springer) pp 201–41, Neutze and Moffat 2012 Curr. Opin. Struct. Biol. 22 651–9, Šrajer 2014 The Future of Dynamic Structural Science (Berlin: Springer) pp 237–51). In this approach, short and intense x-ray pulses are used to probe intermediates in real time and at room temperature, in an ongoing reaction that is initiated synchronously and rapidly in the crystal. Time-resolved macromolecular crystallography with 100 ps time resolution at synchrotron x-ray sources is in its mature phase today, particularly for studies of reversible, light-initiated reactions. The advent of the new free electron lasers for hard x-rays (XFELs; 5–20 keV), which provide exceptionally intense, femtosecond x-ray pulses, marks a new frontier for time-resolved crystallography. The exploration of ultra-fast events becomes possible in high-resolution structural detail, on sub-picosecond time scales (Tenboer et al 2014 Science 346 1242–6, Barends et al 2015 Science 350 445–50, Pande et al 2016 Science 352 725–9). We review here state-of-the-art time-resolved crystallographic experiments both at synchrotrons and XFELs. We

Watching proteins function with time-resolved x-ray crystallography

International Nuclear Information System (INIS)

Šrajer, Vukica; Schmidt, Marius

2017-01-01

Macromolecular crystallography was immensely successful in the last two decades. To a large degree this success resulted from use of powerful third generation synchrotron x-ray sources. An expansive database of more than 100 000 protein structures, of which many were determined at resolution better than 2 Å, is available today. With this achievement, the spotlight in structural biology is shifting from determination of static structures to elucidating dynamic aspects of protein function. A powerful tool for addressing these aspects is time-resolved crystallography, where a genuine biological function is triggered in the crystal with a goal of capturing molecules in action and determining protein kinetics and structures of intermediates (Schmidt et al 2005a Methods Mol. Biol . 305 115–54, Schmidt 2008 Ultrashort Laser Pulses in Biology and Medicine (Berlin: Springer) pp 201–41, Neutze and Moffat 2012 Curr. Opin. Struct. Biol . 22 651–9, Šrajer 2014 The Future of Dynamic Structural Science (Berlin: Springer) pp 237–51). In this approach, short and intense x-ray pulses are used to probe intermediates in real time and at room temperature, in an ongoing reaction that is initiated synchronously and rapidly in the crystal. Time-resolved macromolecular crystallography with 100 ps time resolution at synchrotron x-ray sources is in its mature phase today, particularly for studies of reversible, light-initiated reactions. The advent of the new free electron lasers for hard x-rays (XFELs; 5–20 keV), which provide exceptionally intense, femtosecond x-ray pulses, marks a new frontier for time-resolved crystallography. The exploration of ultra-fast events becomes possible in high-resolution structural detail, on sub-picosecond time scales (Tenboer et al 2014 Science 346 1242–6, Barends et al 2015 Science 350 445–50, Pande et al 2016 Science 352 725–9). We review here state-of-the-art time-resolved crystallographic experiments both at synchrotrons and XFELs

Special issue on Chemical Crystallography Editorial

Indian Academy of Sciences (India)

Virtually, every invitation that we extended has translated into an article. We sincerely believe and wish that the collection of articles in this issue sufficiently showcases the panorama of chemical science involving X-ray crystallography in India. We note with pride that Prof. Gautam R. Desiraju, an eminent scientist who has.

Development of Control Applications for High-Throughput Protein Crystallography Experiments

International Nuclear Information System (INIS)

Gaponov, Yurii A.; Matsugaki, Naohiro; Honda, Nobuo; Sasajima, Kumiko; Igarashi, Noriyuki; Hiraki, Masahiko; Yamada, Yusuke; Wakatsuki, Soichi

2007-01-01

An integrated client-server control system (PCCS) with a unified relational database (PCDB) has been developed for high-throughput protein crystallography experiments on synchrotron beamlines. The major steps in protein crystallographic experiments (purification, crystallization, crystal harvesting, data collection, and data processing) are integrated into the software. All information necessary for performing protein crystallography experiments is stored in the PCDB database (except raw X-ray diffraction data, which is stored in the Network File Server). To allow all members of a protein crystallography group to participate in experiments, the system was developed as a multi-user system with secure network access based on TCP/IP secure UNIX sockets. Secure remote access to the system is possible from any operating system with X-terminal and SSH/X11 (Secure Shell with graphical user interface) support. Currently, the system covers the high-throughput X-ray data collection stages and is being commissioned at BL5A and NW12A (PF, PF-AR, KEK, Tsukuba, Japan)

Fixed target matrix for femtosecond time-resolved and in situ serial micro-crystallography

Directory of Open Access Journals (Sweden)

C. Mueller

2015-09-01

Full Text Available We present a crystallography chip enabling in situ room temperature crystallography at microfocus synchrotron beamlines and X-ray free-electron laser (X-FEL sources. Compared to other in situ approaches, we observe extremely low background and high diffraction data quality. The chip design is robust and allows fast and efficient loading of thousands of small crystals. The ability to load a large number of protein crystals, at room temperature and with high efficiency, into prescribed positions enables high throughput automated serial crystallography with microfocus synchrotron beamlines. In addition, we demonstrate the application of this chip for femtosecond time-resolved serial crystallography at the Linac Coherent Light Source (LCLS, Menlo Park, California, USA. The chip concept enables multiple images to be acquired from each crystal, allowing differential detection of changes in diffraction intensities in order to obtain high signal-to-noise and fully exploit the time resolution capabilities of XFELs.

The story of crystallography

International Nuclear Information System (INIS)

Nigam, G.D.

1976-01-01

The historical development of the very important field of crystallography has been narrated. The important land marks such as the first determination of the crystal structure of NaCl by Sir Poragy and that of DNA by Watson et al., etc. are mentioned. The important role played by this field and its role in bringing broad fields such as physics, chemistry and biology very close to each other are emphasised. Some of the outstanding contributions made by eminent crystallographers in India and abroad are mentioned. (K.B.)

PRIGo: a new multi-axis goniometer for macromolecular crystallography

Energy Technology Data Exchange (ETDEWEB)

Waltersperger, Sandro; Olieric, Vincent, E-mail: vincent.olieric@psi.ch; Pradervand, Claude [Paul Scherrer Institute, Villigen PSI (Switzerland); Glettig, Wayne [Centre Suisse d’Electronique et Microtechnique SA, Neuchâtel 2002 (Switzerland); Salathe, Marco; Fuchs, Martin R.; Curtin, Adrian; Wang, Xiaoqiang; Ebner, Simon; Panepucci, Ezequiel; Weinert, Tobias [Paul Scherrer Institute, Villigen PSI (Switzerland); Schulze-Briese, Clemens [Dectris Ltd, Baden 5400 (Switzerland); Wang, Meitian, E-mail: vincent.olieric@psi.ch [Paul Scherrer Institute, Villigen PSI (Switzerland)

2015-05-09

The design and performance of the new multi-axis goniometer PRIGo developed at the Swiss Light Source at Paul Scherrer Institute is described. The Parallel Robotics Inspired Goniometer (PRIGo) is a novel compact and high-precision goniometer providing an alternative to (mini-)kappa, traditional three-circle goniometers and Eulerian cradles used for sample reorientation in macromolecular crystallography. Based on a combination of serial and parallel kinematics, PRIGo emulates an arc. It is mounted on an air-bearing stage for rotation around ω and consists of four linear positioners working synchronously to achieve x, y, z translations and χ rotation (0–90°), followed by a ϕ stage (0–360°) for rotation around the sample holder axis. Owing to the use of piezo linear positioners and active correction, PRIGo features spheres of confusion of <1 µm, <7 µm and <10 µm for ω, χ and ϕ, respectively, and is therefore very well suited for micro-crystallography. PRIGo enables optimal strategies for both native and experimental phasing crystallographic data collection. Herein, PRIGo hardware and software, its calibration, as well as applications in macromolecular crystallography are described.

Raster-scanning serial protein crystallography using micro- and nano-focused synchrotron beams

Energy Technology Data Exchange (ETDEWEB)

Coquelle, Nicolas [Université Grenoble Alpes, IBS, 38044 Grenoble (France); CNRS, IBS, 38044 Grenoble (France); CEA, IBS, 38044 Grenoble (France); Brewster, Aaron S. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Kapp, Ulrike; Shilova, Anastasya; Weinhausen, Britta [European Synchrotron Radiation Facility, BP 220, 38043 Grenoble (France); Burghammer, Manfred, E-mail: burgham@esrf.fr [European Synchrotron Radiation Facility, BP 220, 38043 Grenoble (France); Ghent University, Ghent B-9000 (Belgium); Colletier, Jacques-Philippe, E-mail: burgham@esrf.fr [Université Grenoble Alpes, IBS, 38044 Grenoble (France); CNRS, IBS, 38044 Grenoble (France); CEA, IBS, 38044 Grenoble (France)

2015-05-01

A raster scanning serial protein crystallography approach is presented, that consumes as low ∼200–700 nl of sedimented crystals. New serial data pre-analysis software, NanoPeakCell, is introduced. High-resolution structural information was obtained from lysozyme microcrystals (20 µm in the largest dimension) using raster-scanning serial protein crystallography on micro- and nano-focused beamlines at the ESRF. Data were collected at room temperature (RT) from crystals sandwiched between two silicon nitride wafers, thereby preventing their drying, while limiting background scattering and sample consumption. In order to identify crystal hits, new multi-processing and GUI-driven Python-based pre-analysis software was developed, named NanoPeakCell, that was able to read data from a variety of crystallographic image formats. Further data processing was carried out using CrystFEL, and the resultant structures were refined to 1.7 Å resolution. The data demonstrate the feasibility of RT raster-scanning serial micro- and nano-protein crystallography at synchrotrons and validate it as an alternative approach for the collection of high-resolution structural data from micro-sized crystals. Advantages of the proposed approach are its thriftiness, its handling-free nature, the reduced amount of sample required, the adjustable hit rate, the high indexing rate and the minimization of background scattering.

In situ macromolecular crystallography using microbeams

International Nuclear Information System (INIS)

Axford, Danny; Owen, Robin L.; Aishima, Jun; Foadi, James; Morgan, Ann W.; Robinson, James I.; Nettleship, Joanne E.; Owens, Raymond J.; Moraes, Isabel; Fry, Elizabeth E.; Grimes, Jonathan M.; Harlos, Karl; Kotecha, Abhay; Ren, Jingshan; Sutton, Geoff; Walter, Thomas S.; Stuart, David I.; Evans, Gwyndaf

2012-01-01

A sample environment for mounting crystallization trays has been developed on the microfocus beamline I24 at Diamond Light Source. The technical developments and several case studies are described. Despite significant progress in high-throughput methods in macromolecular crystallography, the production of diffraction-quality crystals remains a major bottleneck. By recording diffraction in situ from crystals in their crystallization plates at room temperature, a number of problems associated with crystal handling and cryoprotection can be side-stepped. Using a dedicated goniometer installed on the microfocus macromolecular crystallography beamline I24 at Diamond Light Source, crystals have been studied in situ with an intense and flexible microfocus beam, allowing weakly diffracting samples to be assessed without a manual crystal-handling step but with good signal to noise, despite the background scatter from the plate. A number of case studies are reported: the structure solution of bovine enterovirus 2, crystallization screening of membrane proteins and complexes, and structure solution from crystallization hits produced via a high-throughput pipeline. These demonstrate the potential for in situ data collection and structure solution with microbeams

In situ macromolecular crystallography using microbeams

Energy Technology Data Exchange (ETDEWEB)

Axford, Danny; Owen, Robin L.; Aishima, Jun [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom); Foadi, James [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom); Imperial College, London SW7 2AZ (United Kingdom); Morgan, Ann W.; Robinson, James I. [University of Leeds, Leeds LS9 7FT (United Kingdom); Nettleship, Joanne E.; Owens, Raymond J. [Research Complex at Harwell, Rutherford Appleton Laboratory R92, Didcot, Oxfordshire OX11 0DE (United Kingdom); Moraes, Isabel [Imperial College, London SW7 2AZ (United Kingdom); Fry, Elizabeth E.; Grimes, Jonathan M.; Harlos, Karl; Kotecha, Abhay; Ren, Jingshan; Sutton, Geoff; Walter, Thomas S. [University of Oxford, Roosevelt Drive, Oxford OX3 7BN (United Kingdom); Stuart, David I. [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom); University of Oxford, Roosevelt Drive, Oxford OX3 7BN (United Kingdom); Evans, Gwyndaf, E-mail: gwyndaf.evans@diamond.ac.uk [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom)

2012-04-17

A sample environment for mounting crystallization trays has been developed on the microfocus beamline I24 at Diamond Light Source. The technical developments and several case studies are described. Despite significant progress in high-throughput methods in macromolecular crystallography, the production of diffraction-quality crystals remains a major bottleneck. By recording diffraction in situ from crystals in their crystallization plates at room temperature, a number of problems associated with crystal handling and cryoprotection can be side-stepped. Using a dedicated goniometer installed on the microfocus macromolecular crystallography beamline I24 at Diamond Light Source, crystals have been studied in situ with an intense and flexible microfocus beam, allowing weakly diffracting samples to be assessed without a manual crystal-handling step but with good signal to noise, despite the background scatter from the plate. A number of case studies are reported: the structure solution of bovine enterovirus 2, crystallization screening of membrane proteins and complexes, and structure solution from crystallization hits produced via a high-throughput pipeline. These demonstrate the potential for in situ data collection and structure solution with microbeams.

MxCuBE: a synchrotron beamline control environment customized for macromolecular crystallography experiments

International Nuclear Information System (INIS)

Gabadinho, José; Beteva, Antonia; Guijarro, Matias; Rey-Bakaikoa, Vicente; Spruce, Darren

2010-01-01

MxCuBE is a beamline control environment optimized for the needs of macromolecular crystallography. This paper describes the design of the software and the features that MxCuBE currently provides. The design and features of a beamline control software system for macromolecular crystallography (MX) experiments developed at the European Synchrotron Radiation Facility (ESRF) are described. This system, MxCuBE, allows users to easily and simply interact with beamline hardware components and provides automated routines for common tasks in the operation of a synchrotron beamline dedicated to experiments in MX. Additional functionality is provided through intuitive interfaces that enable the assessment of the diffraction characteristics of samples, experiment planning, automatic data collection and the on-line collection and analysis of X-ray emission spectra. The software can be run in a tandem client-server mode that allows for remote control and relevant experimental parameters and results are automatically logged in a relational database, ISPyB. MxCuBE is modular, flexible and extensible and is currently deployed on eight macromolecular crystallography beamlines at the ESRF. Additionally, the software is installed at MAX-lab beamline I911-3 and at BESSY beamline BL14.1

The success story of crystallography.

Science.gov (United States)

Schwarzenbach, Dieter

2012-01-01

Diffractionists usually place the birth of crystallography in 1912 with the first X-ray diffraction experiment of Friedrich, Knipping and Laue. This discovery propelled the mathematical branch of mineralogy to global importance and enabled crystal structure determination. Knowledge of the geometrical structure of matter at atomic resolution had revolutionary consequences for all branches of the natural sciences: physics, chemistry, biology, earth sciences and material science. It is scarcely possible for a single person in a single article to trace and appropriately value all of these developments. This article presents the limited, subjective view of its author and a limited selection of references. The bulk of the article covers the history of X-ray structure determination from the NaCl structure to aperiodic structures and macromolecular structures. The theoretical foundations were available by 1920. The subsequent success of crystallography was then due to the development of diffraction equipment, the theory of the solution of the phase problem, symmetry theory and computers. The many structures becoming known called for the development of crystal chemistry and of data banks. Diffuse scattering from disordered structures without and with partial long-range order allows determination of short-range order. Neutron and electron scattering and diffraction are also mentioned.

A high-pressure MWPC detector for crystallography

DEFF Research Database (Denmark)

Ortuno-Prados, F.; Bazzano, A.; Berry, A.

1999-01-01

The application of the Multi-Wire Proportional Counter (MWPC) as a potential detector for protein crystallography and other wide-angle diffraction experiments is presented. Electrostatic problems found with our large area MWPC when operated at high pressure are discussed. We suggest that a solution...

Crystallography of the Sb-Te-Ni system

Czech Academy of Sciences Publication Activity Database

Laufek, F.; Drábek, M.; Skála, Roman; Císařová, I.

2005-01-01

Roč. 12, č. 2 (2005), s. 153-154 ISSN 1211-5894 Grant - others:GAUK(CZ) 43-203391 Institutional research plan: CEZ:AV0Z30130516 Keywords : crystallography * antimony * tellurium Subject RIV: DB - Geology ; Mineralogy http:// xray .cz/ms/bul2005-2/student3.pdf

Sources, instrumentation and detectors for protein crystallography

CERN Document Server

Nave, C

2001-01-01

Some of the requirements for protein crystallography experiments on a synchrotron are described. Although data from different types of crystal are often collected without changing the X-ray beam properties, there are benefits if the incident beam is matched to a particular crystal and its diffraction pattern. These benefits are described with some examples. Radiation damage and other effects impose limits on the dose and dose rate on a protein crystal if the maximum amount of data is to be obtained. These limitations have possible consequences for the X-ray source required. Presently available commercial detector systems provide excellent data for protein crystallography but do not quite reach the specifications of the 'ideal' detector. In order to collect the most accurate data (e.g. for very weak anomalous scattering applications) detectors that produce near photon counting statistics over a wide dynamic range are required. It is possible that developments in 'pixel' detectors will allow these demanding exp...

Recent Major Improvements to the ALS Sector 5 Macromolecular Crystallography Beamlines

International Nuclear Information System (INIS)

Morton, Simon A.; Glossinger, James; Smith-Baumann, Alexis; McKean, John P.; Trame, Christine; Dickert, Jeff; Rozales, Anthony; Dauz, Azer; Taylor, John; Zwart, Petrus; Duarte, Robert; Padmore, Howard; McDermott, Gerry; Adams, Paul

2007-01-01

Although the Advanced Light Source (ALS) was initially conceived primarily as a low energy (1.9GeV) 3rd generation source of VUV and soft x-ray radiation it was realized very early in the development of the facility that a multipole wiggler source coupled with high quality, (brightness preserving), optics would result in a beamline whose performance across the optimal energy range (5-15keV) for macromolecular crystallography (MX) would be comparable to, or even exceed, that of many existing crystallography beamlines at higher energy facilities. Hence, starting in 1996, a suite of three beamlines, branching off a single wiggler source, was constructed, which together formed the ALS Macromolecular Crystallography Facility. From the outset this facility was designed to cater equally to the needs of both academic and industrial users with a heavy emphasis placed on the development and introduction of high throughput crystallographic tools, techniques, and facilities--such as large area CCD detectors, robotic sample handling and automounting facilities, a service crystallography program, and a tightly integrated, centralized, and highly automated beamline control environment for users. This facility was immediately successful, with the primary Multiwavelength Anomalous Diffraction beamline (5.0.2) in particular rapidly becoming one of the foremost crystallographic facilities in the US--responsible for structures such as the 70S ribosome. This success in-turn triggered enormous growth of the ALS macromolecular crystallography community and spurred the development of five additional ALS MX beamlines all utilizing the newly developed superconducting bending magnets ('superbends') as sources. However in the years since the original Sector 5.0 beamlines were built the performance demands of macromolecular crystallography users have become ever more exacting; with growing emphasis placed on studying larger complexes, more difficult structures, weakly diffracting or smaller

A readout system for X-ray powder crystallography

CERN Document Server

Loukas, D; Pavlidis, A; Karvelas, E; Psycharis, K; Misiakos, V; Mousa, J; Dre, C

2000-01-01

A system for capturing and processing data, from radiation detectors, in the field of X-ray crystallography has been developed. The system includes a custom-made mixed analog-digital 16-channel VLSI circuit in 50 mu m pitch. Each channel comprises a charge amplifier, a shaper, a comparator and a 21-bit counter. The circuit can be scaled in a daisy chain configuration. Data acquisition is performed with a custom made PCI card while the control software is developed with Visual C++ under the MS Windows NT environment. Performance of a fully operational system, in terms of electronic noise, statistical variations and data capture speed is presented. The noise level permits counting of X-rays down to 8 keV while the counting capability is in excess of 200 kHz. The system is intended for X-ray crystallography with silicon detectors.

From electron microscopy to X-ray crystallography: molecular-replacement case studies

International Nuclear Information System (INIS)

Xiong, Yong

2008-01-01

Test studies have been conducted on five crystal structures of large molecular assemblies, in which EM maps are used as models for structure solution by molecular replacement using various standard MR packages such as AMoRe, MOLREP and Phaser. Multi-component molecular complexes are increasingly being tackled by structural biology, bringing X-ray crystallography into the purview of electron-microscopy (EM) studies. X-ray crystallography can utilize a low-resolution EM map for structure determination followed by phase extension to high resolution. Test studies have been conducted on five crystal structures of large molecular assemblies, in which EM maps are used as models for structure solution by molecular replacement (MR) using various standard MR packages such as AMoRe, MOLREP and Phaser. The results demonstrate that EM maps are viable models for molecular replacement. Possible difficulties in data analysis, such as the effects of the EM magnification error, and the effect of MR positional/rotational errors on phase extension are discussed

Data Management System at the Photon Factory Macromolecular Crystallography Beamline

International Nuclear Information System (INIS)

Yamada, Y; Matsugaki, N; Chavas, L M G; Hiraki, M; Igarashi, N; Wakatsuki, S

2013-01-01

Macromolecular crystallography is a very powerful tool to investigate three-dimensional structures of macromolecules at the atomic level, and is widely spread among structural biology researchers. Due to recent upgrades of the macromolecular crystallography beamlines at the Photon Factory, beamline throughput has improved, allowing more experiments to be conducted during a user's beam time. Although the number of beamlines has increased, so has the number of beam time applications. Consequently, both the experimental data from users' experiments and data derived from beamline operations have dramatically increased, causing difficulties in organizing these diverse and large amounts of data for the beamline operation staff and users. To overcome this problem, we have developed a data management system by introducing commercial middleware, which consists of a controller, database, and web servers. We have prepared several database projects using this system. Each project is dedicated to a certain aspect such as experimental results, beam time applications, beam time schedule, or beamline operation reports. Then we designed a scheme to link all the database projects.

A technique for determining the deuterium/hydrogen contrast map in neutron macromolecular crystallography.

Science.gov (United States)

Chatake, Toshiyuki; Fujiwara, Satoru

2016-01-01

A difference in the neutron scattering length between hydrogen and deuterium leads to a high density contrast in neutron Fourier maps. In this study, a technique for determining the deuterium/hydrogen (D/H) contrast map in neutron macromolecular crystallography is developed and evaluated using ribonuclease A. The contrast map between the D2O-solvent and H2O-solvent crystals is calculated in real space, rather than in reciprocal space as performed in previous neutron D/H contrast crystallography. The present technique can thus utilize all of the amplitudes of the neutron structure factors for both D2O-solvent and H2O-solvent crystals. The neutron D/H contrast maps clearly demonstrate the powerful detectability of H/D exchange in proteins. In fact, alternative protonation states and alternative conformations of hydroxyl groups are observed at medium resolution (1.8 Å). Moreover, water molecules can be categorized into three types according to their tendency towards rotational disorder. These results directly indicate improvement in the neutron crystal structure analysis. This technique is suitable for incorporation into the standard structure-determination process used in neutron protein crystallography; consequently, more precise and efficient determination of the D-atom positions is possible using a combination of this D/H contrast technique and standard neutron structure-determination protocols.

Affinity Crystallography: A New Approach to Extracting High-Affinity Enzyme Inhibitors from Natural Extracts.

Science.gov (United States)

Aguda, Adeleke H; Lavallee, Vincent; Cheng, Ping; Bott, Tina M; Meimetis, Labros G; Law, Simon; Nguyen, Nham T; Williams, David E; Kaleta, Jadwiga; Villanueva, Ivan; Davies, Julian; Andersen, Raymond J; Brayer, Gary D; Brömme, Dieter

2016-08-26

Natural products are an important source of novel drug scaffolds. The highly variable and unpredictable timelines associated with isolating novel compounds and elucidating their structures have led to the demise of exploring natural product extract libraries in drug discovery programs. Here we introduce affinity crystallography as a new methodology that significantly shortens the time of the hit to active structure cycle in bioactive natural product discovery research. This affinity crystallography approach is illustrated by using semipure fractions of an actinomycetes culture extract to isolate and identify a cathepsin K inhibitor and to compare the outcome with the traditional assay-guided purification/structural analysis approach. The traditional approach resulted in the identification of the known inhibitor antipain (1) and its new but lower potency dehydration product 2, while the affinity crystallography approach led to the identification of a new high-affinity inhibitor named lichostatinal (3). The structure and potency of lichostatinal (3) was verified by total synthesis and kinetic characterization. To the best of our knowledge, this is the first example of isolating and characterizing a potent enzyme inhibitor from a partially purified crude natural product extract using a protein crystallographic approach.

The charm of protein crystals--Structural biology at a glance in the International Year of Crystallography

International Nuclear Information System (INIS)

Su Xiaodong; Cao Qin

2014-01-01

Crystallography is a typical intellectual endeavor that has spanned human history for centuries. Through the persistent efforts of generations of scientists, crystallography has been transformed from a mathematical hypothesis to actual physical reality, mainly thanks to X-ray diffraction technology. 2014 is celebrated as the International Year of Crystallography (IYCr-2014), to commemorate that about 100 years ago, when Max von Laue in Germany and the father-and-son Braggs (William Henry Bragg and William Lawrence Bragg) in England pioneered the use of X-rays to determine the atomic structure of crystals; for this pioneering work they were awarded Nobel prizes for physics in the years of 1914 and 1915. This article is dedicated to the IYCr to describe the use of protein crystals, an application that has developed into protein crystallography and subsequently structural biology. In our overview of the history and future prospects of this field, we discuss in detail one example of caspase-6, to demonstrate how protein crystallography can help us understand the structure-function relationship of important proteins. (authors)

100 Years later: Celebrating the contributions of x-ray crystallography to allergy and clinical immunology.

Science.gov (United States)

Pomés, Anna; Chruszcz, Maksymilian; Gustchina, Alla; Minor, Wladek; Mueller, Geoffrey A; Pedersen, Lars C; Wlodawer, Alexander; Chapman, Martin D

2015-07-01

Current knowledge of molecules involved in immunology and allergic disease results from the significant contributions of x-ray crystallography, a discipline that just celebrated its 100th anniversary. The histories of allergens and x-ray crystallography are intimately intertwined. The first enzyme structure to be determined was lysozyme, also known as the chicken food allergen Gal d 4. Crystallography determines the exact 3-dimensional positions of atoms in molecules. Structures of molecular complexes in the disciplines of immunology and allergy have revealed the atoms involved in molecular interactions and mechanisms of disease. These complexes include peptides presented by MHC class II molecules, cytokines bound to their receptors, allergen-antibody complexes, and innate immune receptors with their ligands. The information derived from crystallographic studies provides insights into the function of molecules. Allergen function is one of the determinants of environmental exposure, which is essential for IgE sensitization. Proteolytic activity of allergens or their capacity to bind LPSs can also contribute to allergenicity. The atomic positions define the molecular surface that is accessible to antibodies. In turn, this surface determines antibody specificity and cross-reactivity, which are important factors for the selection of allergen panels used for molecular diagnosis and the interpretation of clinical symptoms. This review celebrates the contributions of x-ray crystallography to clinical immunology and allergy, focusing on new molecular perspectives that influence the diagnosis and treatment of allergic diseases. Copyright © 2015 American Academy of Allergy, Asthma & Immunology. All rights reserved.

Preliminary results from NOAMP deep drifting floats

International Nuclear Information System (INIS)

Ollitrault, M.

1989-01-01

This paper is a very brief and preliminary outline of first results obtained with deep SOFAR floats in the NOAMP area. The work is now going toward more precise statistical estimations of mean and variable currents, together with better tracking to resolve submesoscales and estimate diffusivities due to mesoscale and smaller scale motions. However the preliminary results confirm that the NOAMP region (and surroundings) has a deep mesoscale eddy field that is considerably more energetic that the mean field (r.m.s. velocities are of order 5 cm s -1 ), although both values are diminished compared to the western basin. A data report containing trajectories and statistics is scheduled to be published by IFREMER in the near future. The project main task is to especially study the dispersion of radioactive substances

Neutron Crystallography for the Study of Hydrogen Bonds in Macromolecules

Directory of Open Access Journals (Sweden)

Esko Oksanen

2017-04-01

Full Text Available Abstract: The hydrogen bond (H bond is one of the most important interactions that form the foundation of secondary and tertiary protein structure. Beyond holding protein structures together, H bonds are also intimately involved in solvent coordination, ligand binding, and enzyme catalysis. The H bond by definition involves the light atom, H, and it is very difficult to study directly, especially with X-ray crystallographic techniques, due to the poor scattering power of H atoms. Neutron protein crystallography provides a powerful, complementary tool that can give unambiguous information to structural biologists on solvent organization and coordination, the electrostatics of ligand binding, the protonation states of amino acid side chains and catalytic water species. The method is complementary to X-ray crystallography and the dynamic data obtainable with NMR spectroscopy. Also, as it gives explicit H atom positions, it can be very valuable to computational chemistry where exact knowledge of protonation and solvent orientation can make a large difference in modeling. This article gives general information about neutron crystallography and shows specific examples of how the method has contributed to structural biology, structure-based drug design; and the understanding of fundamental questions of reaction mechanisms.

Membrane protein structure determination by SAD, SIR, or SIRAS phasing in serial femtosecond crystallography using an iododetergent

Science.gov (United States)

Nakane, Takanori; Hanashima, Shinya; Suzuki, Mamoru; Saiki, Haruka; Hayashi, Taichi; Kakinouchi, Keisuke; Sugiyama, Shigeru; Kawatake, Satoshi; Matsuoka, Shigeru; Matsumori, Nobuaki; Nango, Eriko; Kobayashi, Jun; Shimamura, Tatsuro; Kimura, Kanako; Mori, Chihiro; Kunishima, Naoki; Sugahara, Michihiro; Takakyu, Yoko; Inoue, Shigeyuki; Masuda, Tetsuya; Hosaka, Toshiaki; Tono, Kensuke; Joti, Yasumasa; Kameshima, Takashi; Hatsui, Takaki; Inoue, Tsuyoshi; Nureki, Osamu; Iwata, So; Murata, Michio; Mizohata, Eiichi

2016-01-01

The 3D structure determination of biological macromolecules by X-ray crystallography suffers from a phase problem: to perform Fourier transformation to calculate real space density maps, both intensities and phases of structure factors are necessary; however, measured diffraction patterns give only intensities. Although serial femtosecond crystallography (SFX) using X-ray free electron lasers (XFELs) has been steadily developed since 2009, experimental phasing still remains challenging. Here, using 7.0-keV (1.771 Å) X-ray pulses from the SPring-8 Angstrom Compact Free Electron Laser (SACLA), iodine single-wavelength anomalous diffraction (SAD), single isomorphous replacement (SIR), and single isomorphous replacement with anomalous scattering (SIRAS) phasing were performed in an SFX regime for a model membrane protein bacteriorhodopsin (bR). The crystals grown in bicelles were derivatized with an iodine-labeled detergent heavy-atom additive 13a (HAD13a), which contains the magic triangle, I3C head group with three iodine atoms. The alkyl tail was essential for binding of the detergent to the surface of bR. Strong anomalous and isomorphous difference signals from HAD13a enabled successful phasing using reflections up to 2.1-Å resolution from only 3,000 and 4,000 indexed images from native and derivative crystals, respectively. When more images were merged, structure solution was possible with data truncated at 3.3-Å resolution, which is the lowest resolution among the reported cases of SFX phasing. Moreover, preliminary SFX experiment showed that HAD13a successfully derivatized the G protein-coupled A2a adenosine receptor crystallized in lipidic cubic phases. These results pave the way for de novo structure determination of membrane proteins, which often diffract poorly, even with the brightest XFEL beams. PMID:27799539

Protein energy landscapes determined by five-dimensional crystallography

International Nuclear Information System (INIS)

Schmidt, Marius; Srajer, Vukica; Henning, Robert; Ihee, Hyotcherl; Purwar, Namrta; Tenboer, Jason; Tripathi, Shailesh

2013-01-01

Barriers of activation within the photocycle of a photoactive protein were extracted from comprehensive time courses of time resolved crystallographic data collected at multiple temperature settings. Free-energy landscapes decisively determine the progress of enzymatically catalyzed reactions [Cornish-Bowden (2012 ▶), Fundamentals of Enzyme Kinetics, 4th ed.]. Time-resolved macromolecular crystallography unifies transient-state kinetics with structure determination [Moffat (2001 ▶), Chem. Rev.101, 1569–1581; Schmidt et al. (2005 ▶), Methods Mol. Biol.305, 115–154; Schmidt (2008 ▶), Ultrashort Laser Pulses in Medicine and Biology] because both can be determined from the same set of X-ray data. Here, it is demonstrated how barriers of activation can be determined solely from five-dimensional crystallography, where in addition to space and time, temperature is a variable as well [Schmidt et al. (2010 ▶), Acta Cryst. A66, 198–206]. Directly linking molecular structures with barriers of activation between them allows insight into the structural nature of the barrier to be gained. Comprehensive time series of crystallographic data at 14 different temperature settings were analyzed and the entropy and enthalpy contributions to the barriers of activation were determined. One hundred years after the discovery of X-ray scattering, these results advance X-ray structure determination to a new frontier: the determination of energy landscapes

Nanoflow electrospinning serial femtosecond crystallography

Science.gov (United States)

Sierra, Raymond G.; Laksmono, Hartawan; Kern, Jan; Tran, Rosalie; Hattne, Johan; Alonso-Mori, Roberto; Lassalle-Kaiser, Benedikt; Glöckner, Carina; Hellmich, Julia; Schafer, Donald W.; Echols, Nathaniel; Gildea, Richard J.; Grosse-Kunstleve, Ralf W.; Sellberg, Jonas; McQueen, Trevor A.; Fry, Alan R.; Messerschmidt, Marc M.; Miahnahri, Alan; Seibert, M. Marvin; Hampton, Christina Y.; Starodub, Dmitri; Loh, N. Duane; Sokaras, Dimosthenis; Weng, Tsu-Chien; Zwart, Petrus H.; Glatzel, Pieter; Milathianaki, Despina; White, William E.; Adams, Paul D.; Williams, Garth J.; Boutet, Sébastien; Zouni, Athina; Messinger, Johannes; Sauter, Nicholas K.; Bergmann, Uwe; Yano, Junko; Yachandra, Vittal K.; Bogan, Michael J.

2012-01-01

An electrospun liquid microjet has been developed that delivers protein microcrystal suspensions at flow rates of 0.14–3.1 µl min−1 to perform serial femtosecond crystallography (SFX) studies with X-ray lasers. Thermolysin microcrystals flowed at 0.17 µl min−1 and diffracted to beyond 4 Å resolution, producing 14 000 indexable diffraction patterns, or four per second, from 140 µg of protein. Nanoflow electrospinning extends SFX to biological samples that necessitate minimal sample consumption. PMID:23090408

New Paradigm for Macromolecular Crystallography Experiments at SSRL: Automated Crystal Screening And Remote Data Collection

International Nuclear Information System (INIS)

Soltis, S.M.; Cohen, A.E.; Deacon, A.; Eriksson, T.; Gonzalez, A.; McPhillips, S.; Chui, H.; Dunten, P.; Hollenbeck, M.; Mathews, I.; Miller, M.; Moorhead, P.; Phizackerley, R.P.; Smith, C.; Song, J.; Bedem, H. van dem; Ellis, P.; Kuhn, P.; McPhillips, T.; Sauter, N.; Sharp, K.

2009-01-01

Complete automation of the macromolecular crystallography experiment has been achieved at Stanford Synchrotron Radiation Lightsource (SSRL) through the combination of robust mechanized experimental hardware and a flexible control system with an intuitive user interface. These highly reliable systems have enabled crystallography experiments to be carried out from the researchers' home institutions and other remote locations while retaining complete control over even the most challenging systems. A breakthrough component of the system, the Stanford Auto-Mounter (SAM), has enabled the efficient mounting of cryocooled samples without human intervention. Taking advantage of this automation, researchers have successfully screened more than 200 000 samples to select the crystals with the best diffraction quality for data collection as well as to determine optimal crystallization and cryocooling conditions. These systems, which have been deployed on all SSRL macromolecular crystallography beamlines and several beamlines worldwide, are used by more than 80 research groups in remote locations, establishing a new paradigm for macromolecular crystallography experimentation.

Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation.

Science.gov (United States)

Martin-Garcia, Jose M; Conrad, Chelsie E; Nelson, Garrett; Stander, Natasha; Zatsepin, Nadia A; Zook, James; Zhu, Lan; Geiger, James; Chun, Eugene; Kissick, David; Hilgart, Mark C; Ogata, Craig; Ishchenko, Andrii; Nagaratnam, Nirupa; Roy-Chowdhury, Shatabdi; Coe, Jesse; Subramanian, Ganesh; Schaffer, Alexander; James, Daniel; Ketwala, Gihan; Venugopalan, Nagarajan; Xu, Shenglan; Corcoran, Stephen; Ferguson, Dale; Weierstall, Uwe; Spence, John C H; Cherezov, Vadim; Fromme, Petra; Fischetti, Robert F; Liu, Wei

2017-07-01

Crystal structure determination of biological macromolecules using the novel technique of serial femtosecond crystallography (SFX) is severely limited by the scarcity of X-ray free-electron laser (XFEL) sources. However, recent and future upgrades render microfocus beamlines at synchrotron-radiation sources suitable for room-temperature serial crystallography data collection also. Owing to the longer exposure times that are needed at synchrotrons, serial data collection is termed serial millisecond crystallography (SMX). As a result, the number of SMX experiments is growing rapidly, with a dozen experiments reported so far. Here, the first high-viscosity injector-based SMX experiments carried out at a US synchrotron source, the Advanced Photon Source (APS), are reported. Microcrystals (5-20 µm) of a wide variety of proteins, including lysozyme, thaumatin, phycocyanin, the human A 2A adenosine receptor (A 2A AR), the soluble fragment of the membrane lipoprotein Flpp3 and proteinase K, were screened. Crystals suspended in lipidic cubic phase (LCP) or a high-molecular-weight poly(ethylene oxide) (PEO; molecular weight 8 000 000) were delivered to the beam using a high-viscosity injector. In-house data-reduction (hit-finding) software developed at APS as well as the SFX data-reduction and analysis software suites Cheetah and CrystFEL enabled efficient on-site SMX data monitoring, reduction and processing. Complete data sets were collected for A 2A AR, phycocyanin, Flpp3, proteinase K and lysozyme, and the structures of A 2A AR, phycocyanin, proteinase K and lysozyme were determined at 3.2, 3.1, 2.65 and 2.05 Å resolution, respectively. The data demonstrate the feasibility of serial millisecond crystallography from 5-20 µm crystals using a high-viscosity injector at APS. The resolution of the crystal structures obtained in this study was dictated by the current flux density and crystal size, but upcoming developments in beamline optics and the planned APS

Serial millisecond crystallography of membrane and soluble protein microcrystals using synchrotron radiation

Directory of Open Access Journals (Sweden)

Jose M. Martin-Garcia

2017-07-01

Full Text Available Crystal structure determination of biological macromolecules using the novel technique of serial femtosecond crystallography (SFX is severely limited by the scarcity of X-ray free-electron laser (XFEL sources. However, recent and future upgrades render microfocus beamlines at synchrotron-radiation sources suitable for room-temperature serial crystallography data collection also. Owing to the longer exposure times that are needed at synchrotrons, serial data collection is termed serial millisecond crystallography (SMX. As a result, the number of SMX experiments is growing rapidly, with a dozen experiments reported so far. Here, the first high-viscosity injector-based SMX experiments carried out at a US synchrotron source, the Advanced Photon Source (APS, are reported. Microcrystals (5–20 µm of a wide variety of proteins, including lysozyme, thaumatin, phycocyanin, the human A2A adenosine receptor (A2AAR, the soluble fragment of the membrane lipoprotein Flpp3 and proteinase K, were screened. Crystals suspended in lipidic cubic phase (LCP or a high-molecular-weight poly(ethylene oxide (PEO; molecular weight 8 000 000 were delivered to the beam using a high-viscosity injector. In-house data-reduction (hit-finding software developed at APS as well as the SFX data-reduction and analysis software suites Cheetah and CrystFEL enabled efficient on-site SMX data monitoring, reduction and processing. Complete data sets were collected for A2AAR, phycocyanin, Flpp3, proteinase K and lysozyme, and the structures of A2AAR, phycocyanin, proteinase K and lysozyme were determined at 3.2, 3.1, 2.65 and 2.05 Å resolution, respectively. The data demonstrate the feasibility of serial millisecond crystallography from 5–20 µm crystals using a high-viscosity injector at APS. The resolution of the crystal structures obtained in this study was dictated by the current flux density and crystal size, but upcoming developments in beamline optics and the

Remote Access to the PXRR Macromolecular Crystallography Facilities at the NSLS

Energy Technology Data Exchange (ETDEWEB)

A Soares; D Schneider; J Skinner; M Cowan; R Buono; H Robinson; A Heroux; M Carlucci-Dayton; A Saxena; R Sweet

2011-12-31

The most recent surge of innovations that have simplified and streamlined the process of determining macromolecular structures by crystallography owes much to the efforts of the structural genomics community. However, this was only the last step in a long evolution that saw the metamorphosis of crystallography from an heroic effort that involved years of dedication and skill into a straightforward measurement that is occasionally almost trivial. Many of the steps in this remarkable odyssey involved reducing the physical labor that is demanded of experimenters in the field. Other steps reduced the technical expertise required for conducting those experiments.

Remote Access to the PXRR Macromolecular Crystallography Facilities at the NSLS

International Nuclear Information System (INIS)

Soares, A.; Schneider, D.; Skinner, J.; Cowan, M.; Buono, R.; Robinson, H.; Heroux, A.; Carlucci-Dayton, M.; Saxena, A.; Sweet, R.

2008-01-01

The most recent surge of innovations that have simplified and streamlined the process of determining macromolecular structures by crystallography owes much to the efforts of the structural genomics community. However, this was only the last step in a long evolution that saw the metamorphosis of crystallography from an heroic effort that involved years of dedication and skill into a straightforward measurement that is occasionally almost trivial. Many of the steps in this remarkable odyssey involved reducing the physical labor that is demanded of experimenters in the field. Other steps reduced the technical expertise required for conducting those experiments.

The friction of polymers around Tg,Tm : Preliminary results

DEFF Research Database (Denmark)

Sivebæk, Ion Marius; Samoilov, V N; Persson, B N J

We present Molecular Dynamics calculations involving polymers of different lengths. Polymers with lengths from 20 to 1400 carbon atoms are considered. The systems are able to simulate friction between polymer surfaces and polymer against metal. The results we present are very preliminary and they......We present Molecular Dynamics calculations involving polymers of different lengths. Polymers with lengths from 20 to 1400 carbon atoms are considered. The systems are able to simulate friction between polymer surfaces and polymer against metal. The results we present are very preliminary...

ISPyB: an information management system for synchrotron macromolecular crystallography.

Science.gov (United States)

Delagenière, Solange; Brenchereau, Patrice; Launer, Ludovic; Ashton, Alun W; Leal, Ricardo; Veyrier, Stéphanie; Gabadinho, José; Gordon, Elspeth J; Jones, Samuel D; Levik, Karl Erik; McSweeney, Seán M; Monaco, Stéphanie; Nanao, Max; Spruce, Darren; Svensson, Olof; Walsh, Martin A; Leonard, Gordon A

2011-11-15

Individual research groups now analyze thousands of samples per year at synchrotron macromolecular crystallography (MX) resources. The efficient management of experimental data is thus essential if the best possible experiments are to be performed and the best possible data used in downstream processes in structure determination pipelines. Information System for Protein crystallography Beamlines (ISPyB), a Laboratory Information Management System (LIMS) with an underlying data model allowing for the integration of analyses down-stream of the data collection experiment was developed to facilitate such data management. ISPyB is now a multisite, generic LIMS for synchrotron-based MX experiments. Its initial functionality has been enhanced to include improved sample tracking and reporting of experimental protocols, the direct ranking of the diffraction characteristics of individual samples and the archiving of raw data and results from ancillary experiments and post-experiment data processing protocols. This latter feature paves the way for ISPyB to play a central role in future macromolecular structure solution pipelines and validates the application of the approach used in ISPyB to other experimental techniques, such as biological solution Small Angle X-ray Scattering and spectroscopy, which have similar sample tracking and data handling requirements.

In-vacuum long-wavelength macromolecular crystallography.

Science.gov (United States)

Wagner, Armin; Duman, Ramona; Henderson, Keith; Mykhaylyk, Vitaliy

2016-03-01

Structure solution based on the weak anomalous signal from native (protein and DNA) crystals is increasingly being attempted as part of synchrotron experiments. Maximizing the measurable anomalous signal by collecting diffraction data at longer wavelengths presents a series of technical challenges caused by the increased absorption of X-rays and larger diffraction angles. A new beamline at Diamond Light Source has been built specifically for collecting data at wavelengths beyond the capability of other synchrotron macromolecular crystallography beamlines. Here, the theoretical considerations in support of the long-wavelength beamline are outlined and the in-vacuum design of the endstation is discussed, as well as other hardware features aimed at enhancing the accuracy of the diffraction data. The first commissioning results, representing the first in-vacuum protein structure solution, demonstrate the promising potential of the beamline.

Protein crystallography beamline (PX-BL21); its utilization and research highlights

International Nuclear Information System (INIS)

Kumar, Ashwani; Ghosh, Biplab; Singh, Rahul; Makde, Ravindra; Sharma, Surinder M.

2016-01-01

The protein crystallography beamline (PX-BL21) is sourced on 1.5 T bending magnet of 2.5 GeV Indus-2 synchrotron. This beamline has been designed to perform monochromatic and anomalous diffraction experiments on single crystals of biological macromolecules such as protein, DNA and their complexes. PX beamline also has a state-of-art ancillary biochemical laboratory to prepare single crystals of biological macromolecules. Since the commissioning of the beamline, it has been utilized by more than 70% of research groups working in the area of protein crystallography in India. About 30 crystal structures of proteins, determined using this beamline, have been deposited in Protein Data Bank (PDB). Some of these structures have been determined using experimental phasing, such as the single wavelength anomalous diffraction (SAD) experiments. The energy tunability of the synchrotron have been exploited to carry our various SAD experiments: Selenium-SAD, Zinc-SAD and Manganese-SAD and Sulphar-SAD. In the present talk, the key results from the PX-BL21 beamline will be discussed. (author)

Lipidic cubic phase serial millisecond crystallography using synchrotron radiation

Directory of Open Access Journals (Sweden)

Przemyslaw Nogly

2015-03-01

Full Text Available Lipidic cubic phases (LCPs have emerged as successful matrixes for the crystallization of membrane proteins. Moreover, the viscous LCP also provides a highly effective delivery medium for serial femtosecond crystallography (SFX at X-ray free-electron lasers (XFELs. Here, the adaptation of this technology to perform serial millisecond crystallography (SMX at more widely available synchrotron microfocus beamlines is described. Compared with conventional microcrystallography, LCP-SMX eliminates the need for difficult handling of individual crystals and allows for data collection at room temperature. The technology is demonstrated by solving a structure of the light-driven proton-pump bacteriorhodopsin (bR at a resolution of 2.4 Å. The room-temperature structure of bR is very similar to previous cryogenic structures but shows small yet distinct differences in the retinal ligand and proton-transfer pathway.

French 900 MWe PWR PSA preliminary results

International Nuclear Information System (INIS)

Lanore, J.M.; Brisbois, J.

1988-10-01

A PSA is performed by the Safety Assessment Department of CEA for a 900 MWe standardized plant. The paper presents the objectives, the scope of the study and the relative preliminary results. Some general insights are drawn, especially the benefit related to the implementation of emergency procedures

Danish Anaesthesia Allergy Centre - preliminary results

DEFF Research Database (Denmark)

Garvey, L H; Roed-Petersen, J; Menné, T

2001-01-01

BACKGROUND: Anaphylactoid reactions in anaesthesia are rare and should ideally be investigated in specialist centres. At Gentofte University Hospital, we established such a centre in 1998 as a joint venture between the Departments of Anaesthesiology and Dermatology. We present the methodology...... for chlorhexidine. Only one patient has tested positive to a neuromuscular blocking drug (NMBD) so far. DISCUSSION: Our preliminary results appear to differ in two ways from results usually found in this field. Firstly, only one patient has tested positive for a NMBD and secondly, we have had four patients...

Structure determination by X-ray crystallography

CERN Document Server

Ladd, M F C

1995-01-01

X-ray crystallography provides us with the most accurate picture we can get of atomic and molecular structures in crystals. It provides a hard bedrock of structural results in chemistry and in mineralogy. In biology, where the structures are not fully crystalline, it can still provide valuable results and, indeed, the impact here has been revolutionary. It is still an immense field for young workers, and no doubt will provide yet more striking develop­ ments of a major character. It does, however, require a wide range of intellectual application, and a considerable ability in many fields. This book will provide much help. It is a very straightforward and thorough guide to every aspect of the subject. The authors are experienced both as research workers themselves and as teachers of standing, and this is shown in their clarity of exposition. There are plenty of iliustrations and worked examples to aid the student to obtain a real grasp of the subject.

Contribution of X-ray crystallography in energy related problems

International Nuclear Information System (INIS)

Majid, C.A.; Hussain, M.A.

1995-01-01

Crystallography is concerned with the study of the structure of matter at the atomic level in condensed state. The great practical importance of scientific knowledge of the structure of solid is self evident when consideration is given to the definition of desired physical and chemical properties. The strength of steel girders, the corrosion of alloys, the plasticity of lime, the wearing properties of case hardness steel, the dielectric capacity of materials, the lubricating properties of long chain paraffin's or of graphite, the stretching of rubber and innumerable other practical phenomena of every day life depend upon ultimate structure of these materials. To understand function to control, manipulate and best utilize their properties, and to produce materials with properties meeting a desired set of specification it is essential to understand thoroughly both the characteristics and origin of each property. Origins of materials properties lie in a combination of natural laws with the detailed structure and composition of materials, i.e. the choice, location, bonding, etc. of every atom in the material object. Therefore, to understand their various properties, it is important to explore the structure property relationship in materials. X-ray crystallography is not only helping to develop new materials having desired properties, but also in improving existing materials. Radiation effects, electrolytes, superconductors and catalysts etc. are just a few examples of many areas where crystallography is helping. With the invent of new radiation sources like synchrotron and new detectors materials and techniques, this almost 80 years old discipline continues to capture the interest of solid state physicists and chemists alike. (author)

X-ray powder crystallography with vertex instrumentation

International Nuclear Information System (INIS)

Chatzisotiriou, V.; Christofis, I.; Dimitriou, N.; Karvelas, S.; Karydas, A.G.; Loukas, D.; Pavlidis, A.; Spirou, S.; Dre, C.; Haralabidis, N.; Misiakos, K.; Tsoi, E.; Perdikatsis, V.; Psycharis, V.; Terzis, A.; Turchetta, R.

1998-01-01

An X-ray Diffractometer for Powder Crystallography is described along with experimental results and future plans. This is an intermediate instrument toward a long linear array system. Three channels of a silicon microstrip detector, are the detecting elements in the present instrument. Each detector channel is followed by a VLSI readout chain, which consists of a charge preamplifier with pulse shaping circuitry, a discriminator, and a 16-bit counter. Control and data acquisition is performed with a custom made PC readout card. A motorized goniometer scans the angle range of interest. Calibration of the system is done with reference samples and data which are captured with a one-channel conventional NaI detector. (Copyright (c) 1998 Elsevier Science B.V., Amsterdam. All rights reserved.)

The bio-crystallography beamline (BL41XU) at SPring-8

CERN Document Server

Kawamoto, M; Kamiya, N

2001-01-01

The bio-crystallography beamline (BL41XU), one of two pilot beamlines at SPring-8, was constructed using a standard in-vacuum-type undulator and opened for general users from domestic and overseas countries. Many tests and improvements were carried out on beamline elements and equipment for macromolecular crystallography, especially on the so-called 'pin-post' water cooling crystal of rotated-inclined double crystal monochromator. The maximum brilliance at sample position reached to 4x10 sup 1 sup 5 photons/s/mm sup 2 /mrad sup 2 at an X-ray energy of 11 keV. Commercially available X-ray detectors of CCD and imaging plate were installed in the experimental station. A beamline control software system for beam tracking and an on-line reader for large-format imaging plate were newly developed.

A brief history of macromolecular crystallography, illustrated by a family tree and its Nobel fruits.

Science.gov (United States)

Jaskolski, Mariusz; Dauter, Zbigniew; Wlodawer, Alexander

2014-09-01

As a contribution to the celebration of the year 2014, declared by the United Nations to be 'The International Year of Crystallography', the FEBS Journal is dedicating this issue to papers showcasing the intimate union between macromolecular crystallography and structural biology, both in historical perspective and in current research. Instead of a formal editorial piece, by way of introduction, this review discusses the most important, often iconic, achievements of crystallographers that led to major advances in our understanding of the structure and function of biological macromolecules. We identified at least 42 scientists who received Nobel Prizes in Physics, Chemistry or Medicine for their contributions that included the use of X-rays or neutrons and crystallography, including 24 who made seminal discoveries in macromolecular sciences. Our spotlight is mostly, but not only, on the recipients of this most prestigious scientific honor, presented in approximately chronological order. As a summary of the review, we attempt to construct a genealogy tree of the principal lineages of protein crystallography, leading from the founding members to the present generation. Published 2014. This article is a U.S. Government work and is in the public domain in the USA.

Preliminary results from the hierarchical glitch pipeline

International Nuclear Information System (INIS)

Mukherjee, Soma

2007-01-01

This paper reports on the preliminary results obtained from the hierarchical glitch classification pipeline on LIGO data. The pipeline that has been under construction for the past year is now complete and end-to-end tested. It is ready to generate analysis results on a daily basis. The details of the pipeline, the classification algorithms employed and the results obtained with one days analysis on the gravitational wave and several auxiliary and environmental channels from all three LIGO detectors are discussed

Missed opportunities in crystallography.

Science.gov (United States)

Dauter, Zbigniew; Jaskolski, Mariusz

2014-09-01

Scrutinized from the perspective of time, the giants in the history of crystallography more than once missed a nearly obvious chance to make another great discovery, or went in the wrong direction. This review analyzes such missed opportunities focusing on macromolecular crystallographers (using Perutz, Pauling, Franklin as examples), although cases of particular historical (Kepler), methodological (Laue, Patterson) or structural (Pauling, Ramachandran) relevance are also described. Linus Pauling, in particular, is presented several times in different circumstances, as a man of vision, oversight, or even blindness. His example underscores the simple truth that also in science incessant creativity is inevitably connected with some probability of fault. Published 2014. This article is a U.S. Government work and is in the public domain in the USA.

On R factors for dynamic structure crystallography

DEFF Research Database (Denmark)

Coppens, Philip; Kaminski, Radoslaw; Schmøkel, Mette Stokkebro

2010-01-01

In studies of dynamic changes in crystals in which induced metastable species may have lifetimes of microseconds or less, refinements are most sensitive if based on the changes induced in the measured intensities. Agreement factors appropriate for such refinements, based on the ratios of the inte...... of the intensities before and after the external perturbation is applied, are discussed and compared with R factors commonly applied in static structure crystallography....

The basics of crystallography and diffraction

CERN Document Server

Hammond, C

2015-01-01

This title provides a clear and very broadly based introduction to crystallography, light, X-ray, and electron diffraction; a knowledge of which is essential to students in a wide range of scientific disciplines but which is otherwise generally covered in subject-specific and more mathematically detailed texts. The book is also designed to appeal to the more general reader since it shows, by historical and biographical references, how the subject has developed from the work and insights of successive generations of crystallographers and scientists.

Crystallographic and dynamic aspects of solid-state NMR calibration compounds: towards ab initio NMR crystallography

DEFF Research Database (Denmark)

Li, Xiaozhou; Tapmeyer, Lukas; Bolte, Michael

2016-01-01

The excellent results of dispersion-corrected density functional theory (DFT-D) calculations for static systems have been well established over the past decade. The introduction of dynamics into DFT-D calculations is a target, especially for the field of molecular NMR crystallography. Four 13C ss...

Crystallography beyond periodic Crystal perfection

International Nuclear Information System (INIS)

Estevez-Rams, E.

2008-01-01

Full text: The discovery of the quasi-crystals [D. Schechtman et. Al., Phys.] Rev. Lett. [53, 1951-1953 (1984)] made very narrow definition of the crystalline state based on the periodicity of a local arrangement of atoms. Since the definition of this State has been a matter of much controversy [G.R. Desiraju, Nature 423, 485 (2003); S. van Smaalen, IUCR Aperiodic Commission Reports. August 7, 2002; International Union of Crystallography. Report of the Executive Committee for 1991; ACTA Cryst. A48, 922-946 (1992)]. We will make a presentation of the current time of the crystallography in this regard from the conceptual point of view. We show the use of the formalism of algorithmic complexity or Kolmogorov [M. Li and P. Vitanyi, An Introduction to Kolmogorov Complexity and Its Applications (Springer Verlag, Heidelberg, 1993), W.H. Zurek, Phys.] Rev. 40, 4731 (1989); Nature 341, 119-124 (1989)] provides a different perspective on the nature of the Crystallographic order. Infinite crystals can be considered solid with zero algorithmic complexities by atom. Show statistical analysis of inorganic compounds [J.L.C. Daams et al., Atlas of Crystal Structure Types for Intermetallic Phases (ASM International, Ohio, 1991), Fachinformationszentrum/NIST Inorganic Crystal Structure Database, Karlsruhe (2003) icsd.fkf.mpg.de] demonstrating that the minimization of complexity is a trend in the crystalline arrangement. We will then compare the degree of disorder of some typical solids according to their algorithmic complexity. Finally, space diffraction will be studied from this same perspective and will be discussed that zero algorithmic complexities by point in space of diffraction does not necessarily imply the same thing for the Atomic arrangement. The discrete portion of the diffraction pattern is a fingerprint of the underlying order but not the actual existence of long-range order. Experimental results will be showcased [E. Estévez-Rams et al., Physical Review B, 63 (2001

Cognitive Task Analysis of Business Jet Pilots' Weather Flying Behaviors: Preliminary Results

Science.gov (United States)

Latorella, Kara; Pliske, Rebecca; Hutton, Robert; Chrenka, Jason

2001-01-01

This report presents preliminary findings from a cognitive task analysis (CTA) of business aviation piloting. Results describe challenging weather-related aviation decisions and the information and cues used to support these decisions. Further, these results demonstrate the role of expertise in business aviation decision-making in weather flying, and how weather information is acquired and assessed for reliability. The challenging weather scenarios and novice errors identified in the results provide the basis for experimental scenarios and dependent measures to be used in future flight simulation evaluations of candidate aviation weather information systems. Finally, we analyzed these preliminary results to recommend design and training interventions to improve business aviation decision-making with weather information. The primary objective of this report is to present these preliminary findings and to document the extended CTA methodology used to elicit and represent expert business aviator decision-making with weather information. These preliminary findings will be augmented with results from additional subjects using this methodology. A summary of the complete results, absent the detailed treatment of methodology provided in this report, will be documented in a separate publication.

Dynamically polarized samples for neutron protein crystallography at the Spallation Neutron Source

International Nuclear Information System (INIS)

Zhao, Jinkui; Pierce, Josh; Robertson, J. L.; Herwig, Kenneth W.; Myles, Dean; Cuneo, Matt; Li, Le; Meilleur, Flora; Standaert, Bob

2016-01-01

To prepare for the next generation neutron scattering instruments for the planned second target station at the Spallation Neutron Source (SNS) and to broaden the scientific impact of neutron protein crystallography at the Oak Ridge National Laboratory, we have recently ramped up our efforts to develop a dynamically polarized target for neutron protein crystallography at the SNS. Proteins contain a large amount of hydrogen which contributes to incoherent diffraction background and limits the sensitivity of neutron protein crystallography. This incoherent background can be suppressed by using polarized neutron diffraction, which in the same time also improves the coherent diffraction signal. Our plan is to develop a custom Dynamic Nuclear Polarization (DNP) setup tailored to neutron protein diffraction instruments. Protein crystals will be polarized at a magnetic field of 5 T and temperatures of below 1 K. After the dynamic polarization process, the sample will be brought to a frozen-spin mode in a 0.5 T holding field and at temperatures below 100 mK. In a parallel effort, we are also investigating various ways of incorporating polarization agents needed for DNP, such as site specific spin labels, into protein crystals. (paper)

Cloning, purification, crystallization and preliminary X-ray studies of flagellar hook scaffolding protein FlgD from Pseudomonas aeruginosa PAO1

International Nuclear Information System (INIS)

Luo, Miao; Niu, Siqiang; Yin, Yibing; Huang, Ailong; Wang, Deqiang

2009-01-01

In order to better elucidate the functions of FlgD in flagellar hook biosynthesis, the three-dimensional structure of FlgD is being determined by X-ray crystallography. Here, the expression, purification, crystallization and preliminary crystallographic analysis of FlgD from P. aeruginosa are reported. FlgD regulates the assembly of the hook cap structure to prevent leakage of hook monomers into the medium and hook monomer polymerization and also plays a role in determination of the correct hook length, with the help of the FliK protein. In order to better elucidate the functions of FlgD in flagellar hook biosynthesis, the three-dimensional structure of FlgD is being determined by X-ray crystallography. Here, the expression, purification, crystallization and preliminary crystallographic analysis of FlgD from P. aeruginosa are reported. The crystal belonged to space group I222 and diffracted to a resolution of 2.5 Å, with unit-cell parameters a = 116.47, b = 118.71, c = 118.85 Å. The crystals are most likely to contain three molecules in the asymmetric unit, with a V M value of 2.73 Å 3 Da −1

Preliminary Cluster Size and Efficiencies results of CMS RPC at GIF++

CERN Document Server

Gonzalez Blanco Gonzalez, Genoveva

2016-01-01

A brief description and first preliminary results of the Efficiencies and Cluster Size measurements of the CMS Resistive Plate Chambers, will be presented inside the Gamma Irradiation Facility GIF++ at CERN. Preliminary studies that sets the base performance measurements of CMS RPC for starting aging studies.

Ultrasonic acoustic levitation for fast frame rate X-ray protein crystallography at room temperature

Science.gov (United States)

Tsujino, Soichiro; Tomizaki, Takashi

2016-05-01

Increasing the data acquisition rate of X-ray diffraction images for macromolecular crystals at room temperature at synchrotrons has the potential to significantly accelerate both structural analysis of biomolecules and structure-based drug developments. Using lysozyme model crystals, we demonstrated the rapid acquisition of X-ray diffraction datasets by combining a high frame rate pixel array detector with ultrasonic acoustic levitation of protein crystals in liquid droplets. The rapid spinning of the crystal within a levitating droplet ensured an efficient sampling of the reciprocal space. The datasets were processed with a program suite developed for serial femtosecond crystallography (SFX). The structure, which was solved by molecular replacement, was found to be identical to the structure obtained by the conventional oscillation method for up to a 1.8-Å resolution limit. In particular, the absence of protein crystal damage resulting from the acoustic levitation was carefully established. These results represent a key step towards a fully automated sample handling and measurement pipeline, which has promising prospects for a high acquisition rate and high sample efficiency for room temperature X-ray crystallography.

Protein crystal growth studies at the Center for Macromolecular Crystallography

International Nuclear Information System (INIS)

DeLucas, Lawrence J.; Long, Marianna M.; Moore, Karen M.; Harrington, Michael; McDonald, William T.; Smith, Craig D.; Bray, Terry; Lewis, Johanna; Crysel, William B.; Weise, Lance D.

2000-01-01

The Center for Macromolecular Crystallography (CMC) has been involved in fundamental studies of protein crystal growth (PCG) in microgravity and in our earth-based laboratories. A large group of co-investigators from academia and industry participated in these experiments by providing protein samples and by performing the x-ray crystallographic analysis. These studies have clearly demonstrated the usefulness of a microgravity environment for enhancing the quality and size of protein crystals. Review of the vapor diffusion (VDA) PCG results from nineteen space shuttle missions is given in this paper

Viscous hydrophilic injection matrices for serial crystallography

Directory of Open Access Journals (Sweden)

Gabriela Kovácsová

2017-07-01

Full Text Available Serial (femtosecond crystallography at synchrotron and X-ray free-electron laser (XFEL sources distributes the absorbed radiation dose over all crystals used for data collection and therefore allows measurement of radiation damage prone systems, including the use of microcrystals for room-temperature measurements. Serial crystallography relies on fast and efficient exchange of crystals upon X-ray exposure, which can be achieved using a variety of methods, including various injection techniques. The latter vary significantly in their flow rates – gas dynamic virtual nozzle based injectors provide very thin fast-flowing jets, whereas high-viscosity extrusion injectors produce much thicker streams with flow rates two to three orders of magnitude lower. High-viscosity extrusion results in much lower sample consumption, as its sample delivery speed is commensurate both with typical XFEL repetition rates and with data acquisition rates at synchrotron sources. An obvious viscous injection medium is lipidic cubic phase (LCP as it is used for in meso membrane protein crystallization. However, LCP has limited compatibility with many crystallization conditions. While a few other viscous media have been described in the literature, there is an ongoing need to identify additional injection media for crystal embedding. Critical attributes are reliable injection properties and a broad chemical compatibility to accommodate samples as heterogeneous and sensitive as protein crystals. Here, the use of two novel hydrogels as viscous injection matrices is described, namely sodium carboxymethyl cellulose and the thermo-reversible block polymer Pluronic F-127. Both are compatible with various crystallization conditions and yield acceptable X-ray background. The stability and velocity of the extruded stream were also analysed and the dependence of the stream velocity on the flow rate was measured. In contrast with previously characterized injection media, both new

Serial crystallography captures enzyme catalysis in copper nitrite reductase at atomic resolution from one crystal

Directory of Open Access Journals (Sweden)

Sam Horrell

2016-07-01

Full Text Available Relating individual protein crystal structures to an enzyme mechanism remains a major and challenging goal for structural biology. Serial crystallography using multiple crystals has recently been reported in both synchrotron-radiation and X-ray free-electron laser experiments. In this work, serial crystallography was used to obtain multiple structures serially from one crystal (MSOX to study in crystallo enzyme catalysis. Rapid, shutterless X-ray detector technology on a synchrotron MX beamline was exploited to perform low-dose serial crystallography on a single copper nitrite reductase crystal, which survived long enough for 45 consecutive 100 K X-ray structures to be collected at 1.07–1.62 Å resolution, all sampled from the same crystal volume. This serial crystallography approach revealed the gradual conversion of the substrate bound at the catalytic type 2 Cu centre from nitrite to nitric oxide, following reduction of the type 1 Cu electron-transfer centre by X-ray-generated solvated electrons. Significant, well defined structural rearrangements in the active site are evident in the series as the enzyme moves through its catalytic cycle, namely nitrite reduction, which is a vital step in the global denitrification process. It is proposed that such a serial crystallography approach is widely applicable for studying any redox or electron-driven enzyme reactions from a single protein crystal. It can provide a `catalytic reaction movie' highlighting the structural changes that occur during enzyme catalysis. The anticipated developments in the automation of data analysis and modelling are likely to allow seamless and near-real-time analysis of such data on-site at some of the powerful synchrotron crystallographic beamlines.

Smarter Drugs: How Protein Crystallography Revolutionizes Drug Design

International Nuclear Information System (INIS)

Smith, Clyde

2005-01-01

According to Smith, protein crystallography allows scientists to design drugs in a much more efficient way than the standard methods traditionally used by large drug companies, which can cost close to a billion dollars and take 10 to 15 years. 'A lot of the work can be compressed down,' Smith said. Protein crystallography enables researchers to learn the structure of molecules involved in disease and health. Seeing the loops, folds and placement of atoms in anything from a virus to a healthy cell membrane gives important information about how these things work - and how to encourage, sidestep or stop their functions. Drug design can be much faster when the relationship between structure and function tells you what area of a molecule to target. Smith will use a timeline to illustrate the traditional methods of drug development and the new ways it can be done now. 'It is very exciting work. There have been some failures, but many successes too.' A new drug to combat the flu was developed in a year or so. Smith will tell us how. He will also highlight drugs developed to combat HIV, Tuberculosis, hypertension and Anthrax.

The Joint Structural Biology Group beam lines at the ESRF: Modern macromolecular crystallography

CERN Document Server

Mitchell, E P

2001-01-01

Macromolecular crystallography has evolved considerably over the last decade. Data sets in under an hour are now possible on high throughput beam lines leading to electron density and, possibly, initial models calculated on-site. There are five beam lines currently dedicated to macromolecular crystallography: the ID14 complex and BM-14 (soon to be superseded by ID-29). These lines handle over five hundred projects every six months and demand is increasing. Automated sample handling, alignment and data management protocols will be required to work efficiently with this demanding load. Projects developing these themes are underway within the JSBG.

Preliminary results on heavy flavor physics at SLD

Energy Technology Data Exchange (ETDEWEB)

Usher, T. [Stanford Univ., CA (United States)

1994-12-01

The author reports on preliminary heavy flavor physics results from the SLD detector at the SLAC Linear Collider. Efficient tagging of b{bar b} events is achieved with an impact parameter technique that takes advantage of the small and stable interaction point of the SLC and all charged tracks in Z{sup 0} decays. This technique is applied to samples of Z{sup 0} events collected during the 1992 and 1993 physics runs. Preliminary measurements of the ratio R{sub b} = {Gamma}(Z{sup 0} {yields} b{bar b})/{Gamma}(Z{sup 0} {yields} hadrons) and the average B hadron lifetime <{tau}{sub B}> are reported. In a sample of 27K Z{sup 0} events, values of R{sub b} = 0.235 {+-} 0.006(stat.) {+-} 0.018(syst.) and <{tau}{sub B}> = 1.53 {+-} 0.006(stat.) {+-} 0.018(syst.) are obtained. In addition, the first measurement of the left-right asymmetry A{sub b} is reported. Using a sample of 38K Z{sup 0} events with a luminosity weighted electron polarization of 62%, the author obtains a preliminary value of A{sub b} = 0.94 {+-} 0.006(stat.) {+-} 0.018(syst.).

Synthesis of new nano Schiff base complexes: X-ray crystallography ...

African Journals Online (AJOL)

This study presents synthesis and characterization of new nano uranyl Schiff base complexes. Electrochemistry of these complexes showed a quasireversible redox reaction without any successive reactions. Furthermore, X-ray crystallography exhibited that beside the coordination of tetradentate Schiff base, one solvent ...

Advances in powder diffraction crystallography

International Nuclear Information System (INIS)

Magneli, A.

1986-01-01

This is the first conference to be arranged within the framework of an agreement on scientific exchange and co-operation between l Academie des Sciences de l Institut de France and the Royal Swedish Academy of Sciences. The responsibility for the scientific program of the conference has been shared between members of the two Academies. The contributions include glimpses of the historical background and broad reviews of the present status of development and of recent work in powder crystallography. Reports are given on a number of studies, basic as well as applied in character, currently conducted in the two countries in a large variety of fields. Prospects of further developments in the area are also presented

Neutron protein crystallography hydrogen protons and hydration in bio-macromolecules

CERN Document Server

Niimura, Nobuo

2011-01-01

This text is dedicated to the emerging field of neutron protein crystallography (NPC). It covers all of the practical aspects of NPC and demonstrates how NPC can explore protein features such as hydrogen bonds, protonation and deprotonation of amino acid residues, and hydration structures.

Preliminary results from film boiling destabilisation experiments

International Nuclear Information System (INIS)

Naylor, P.

1984-05-01

A series of experiments to investigate the triggered destabilisation of film boiling has been undertaken. Film boiling was established on a polished brass rod immersed in water and the effects of various triggers were investigated. Preliminary results are presented and two thresholds have been observed: an impulse threshold below which triggered destabilisation will not occur and a thermal threshold above which film boiling will re-establish following triggered destabilisation. (author)

Iron in hereditary retinal degeneration: PIXE microanalysis Preliminary results

International Nuclear Information System (INIS)

Sergeant, C.; Gouget, B.; Llabador, Y.; Simonoff, M.; Yefimova, M.; Courtois, Y.; Jeanny, J.C.

1999-01-01

Several types of hereditary retinal degeneration with progressive alteration of photoreceptors exist in men and animals. Recent immunohistochemical results have shown strong degradation of transferrin, the protein responsible for iron transport, in retinas of rats with hereditary retinal degeneration. Freeze-dried thin sections of rat retinas from different stages of the disease, and respective coeval control sections, have been analyzed using nuclear microprobe. In this first part of the study, the rat retinas at post-natal stages of 35 and 45 days have been analyzed. The sample preparation and the post-irradiation staining to determine precisely the retinal layers involved are described. Preliminary results of element distributions (K, Ca, Fe) in the rat retina layers are discussed. A very high content of calcium in the choriocapillaris of dystrophic rat retinas was observed. Preliminary results on iron distribution in the rat retina layers are presented

Automated sample mounting and technical advance alignment system for biological crystallography at a synchrotron source

International Nuclear Information System (INIS)

Snell, Gyorgy; Cork, Carl; Nordmeyer, Robert; Cornell, Earl; Meigs, George; Yegian, Derek; Jaklevic, Joseph; Jin, Jian; Stevens, Raymond C.; Earnest, Thomas

2004-01-01

High-throughput data collection for macromolecular crystallography requires an automated sample mounting system for cryo-protected crystals that functions reliably when integrated into protein-crystallography beamlines at synchrotrons. Rapid mounting and dismounting of the samples increases the efficiency of the crystal screening and data collection processes, where many crystals can be tested for the quality of diffraction. The sample-mounting subsystem has random access to 112 samples, stored under liquid nitrogen. Results of extensive tests regarding the performance and reliability of the system are presented. To further increase throughput, we have also developed a sample transport/storage system based on 'puck-shaped' cassettes, which can hold sixteen samples each. Seven cassettes fit into a standard dry shipping Dewar. The capabilities of a robotic crystal mounting and alignment system with instrumentation control software and a relational database allows for automated screening and data collection to be developed

Preliminary results of the Adone storage ring FEL experiment, LELA

International Nuclear Information System (INIS)

Barbini, R.; Vignola, G.; Trillo, S.

1983-01-01

A short description of the LELA (Free Electron Laser on Adone) experiment is given. Results on the spontaneous radiation angle and energy spectra and preliminary results on optical gain measurements are also discussed

Novel organophosphorus compounds; synthesis, spectroscopy and X-ray crystallography

Czech Academy of Sciences Publication Activity Database

Shariatinia, Z.; Sohrabi, M.; Yousefi, M.; Kovaľ, Tomáš; Dušek, Michal

2012-01-01

Roč. 11, č. 2 (2012), s. 125-133 ISSN 1024-1221 Grant - others:AV ČR(CZ) AP0701 Program:Akademická prémie - Praemium Academiae Institutional research plan: CEZ:AV0Z10100521 Keywords : organophosphorus compounds * NMR * X-ray crystallography * hydrogen bond Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.686, year: 2012

A beamline for macromolecular crystallography at the Advanced Light Source

International Nuclear Information System (INIS)

Padmore, H.A.; Earnest, T.; Kim, S.H.; Thompson, A.C.; Robinson, A.L.

1994-08-01

A beamline for macromolecular crystallography has been designed for the ALS. The source will be a 37-pole wiggler with a, 2-T on-axis peak field. The wiggler will illuminate three beamlines, each accepting 3 mrad of horizontal aperture. The central beamline will primarily be used for multiple-wavelength anomalous dispersion measurements in the wavelength range from 4 to 0.9 angstrom. The beamline optics will comprise a double-crystal monochromator with a collimating pre-mirror and a double-focusing mirror after the monochromator. The two side stations will be used for fixed-wavelength experiments within the wavelength range from 1.5 to 0.95 angstrom. The optics will consist of a conventional vertically focusing cylindrical mirror followed by an asymmetrically cut curved-crystal monochromator. This paper presents details of the optimization of the wiggler source for crystallography, gives a description of the beamline configuration, and discusses the reasons for the choices made

10 years of protein crystallography at AR-NW12A beamline

Science.gov (United States)

Chavas, L. M. G.; Yamada, Y.; Hiraki, M.; Igarashi, N.; Matsugaki, N.; Wakatsuki, S.

2013-03-01

The exponential growth of protein crystallography can be observed in the continuously increasing demand for synchrotron beam time, both from academic and industrial users. Nowadays, the screening of a profusion of sample crystals for more and more projects is being implemented by taking advantage of fully automated procedures at every level of the experiments. The insertion device AR-NW12A beamline is one of the five macromolecular crystallography (MX) beamlines at the Photon Factory (PF). Currently the oldest MX beamline operational at the High Energy Accelerator Research Organization (KEK), the end-station was launched in 2001 as part of an upgrade of the PF Advanced Ring. Since its commissioning, AR-NW12A has been operating as a high-throughput beamline, slowly evolving to a multipurpose end-station for MX experiments. The development of the beamline took place about a decade ago, in parallel with a drastic development of protein crystallography and more general synchrotron technology. To keep the beamline up-to-date and competitive with other MX stations in Japan and worldwide, new features have been constantly added, with the goal of user friendliness of the various beamline optics and other instruments. Here we describe the evolution of AR-NW12A for its tenth anniversary. We also discuss the plans for upgrades for AR-NW12A, the future objectives in terms of the beamline developments, and especially the strong desire to open the beamline to a larger user community.

Operational experience of a large area x-ray camera for protein crystallography

International Nuclear Information System (INIS)

Joachimiak, A.; Jorden, A. R.; Loeffen, P. W.; Naday, I.; Sanishvili, R.; Westbrook, E. M.

1999-01-01

After 3 years experience of operating very large area (210mm x 210mm) CCD-based detectors at the Advanced Photon Source, operational experience is reported. Four such detectors have been built, two for Structural Biology Center (APS-1 and SBC-2), one for Basic Energy Sciences Synchrotrons Radiation Center (Gold-2) at Argonne National Laboratory's Advanced Photon Source and one for Osaka University by Oxford Instruments, for use at Spring 8 (PX-21O). The detector is specifically designed as a high resolution and fast readout camera for macromolecular crystallography. Design trade-offs for speed and size are reviewed in light of operational experience and future requirements are considered. Operational data and examples of crystallography data are presented, together with plans for more development

Effect of impurities and post-experimental purification in SAD phasing with serial femtosecond crystallography data.

Science.gov (United States)

Zhang, Tao; Gu, Yuanxin; Fan, Haifu

2016-06-01

In serial crystallography (SX) with either an X-ray free-electron laser (XFEL) or synchrotron radiation as the light source, huge numbers of micrometre-sized crystals are used in diffraction data collection. For a SAD experiment using a derivative with introduced heavy atoms, it is difficult to completely exclude crystals of the native protein from the sample. In this paper, simulations were performed to study how the inclusion of native crystals in the derivative sample could affect the result of SAD phasing and how the post-experimental purification proposed by Zhang et al. [(2015), Acta Cryst. D71, 2513-2518] could be used to remove the impurities. A gadolinium derivative of lysozyme and the corresponding native protein were used in the test. Serial femtosecond crystallography (SFX) diffraction snapshots were generated by CrystFEL. SHELXC/D, Phaser, DM, ARP/wARP and REFMAC were used for automatic structure solution. It is shown that a small amount of impurities (snapshots from native crystals) in the set of derivative snapshots can strongly affect the SAD phasing results. On the other hand, post-experimental purification can efficiently remove the impurities, leading to results similar to those from a pure sample.

Preliminary results of testing bioassay analytical performance standards

International Nuclear Information System (INIS)

Fisher, D.R.; Robinson, A.V.; Hadley, R.T.

1983-08-01

The analytical performance of both in vivo and in vitro bioassay laboratories is being studied to determine the capability of these laboratories to meet the minimum criteria for accuracy and precision specified in the draft ANSI Standard N13.30, Performance Criteria for Radiobioassay. This paper presents preliminary results of the first round of testing

Preliminary test results from a telescope of Hughes pixel arrays at FNAL

International Nuclear Information System (INIS)

Jernigan, J.G.; Arens, J.; Vezie, D.; Collins, T.; Krider, J.; Skubic, P.

1992-09-01

In December of 1991 three silicon hybrid pixel detectors each having 2.56 x 2.56 pixels 30 μm square, made by the Hughes Aircraft Company, were placed in a high energy muon beam at the Fermi National Accelerator Laboratory. Straight tracks were recorded in these detectors at angles to the normal to the plane of the silicon ranging from 0 to 45 degrees. In this note, preliminary results are presented on the straight through tracks, i.e., those passing through the telescope at normal incidence. Pulse height data, signal-to-noise data, and preliminary straight line fits to the data resulting in residual distributions are presented. Preliminary calculations show spatial resolution of less than 5 μm in two dimensions

Mapping the continuous reciprocal space intensity distribution of X-ray serial crystallography.

Science.gov (United States)

Yefanov, Oleksandr; Gati, Cornelius; Bourenkov, Gleb; Kirian, Richard A; White, Thomas A; Spence, John C H; Chapman, Henry N; Barty, Anton

2014-07-17

Serial crystallography using X-ray free-electron lasers enables the collection of tens of thousands of measurements from an equal number of individual crystals, each of which can be smaller than 1 µm in size. This manuscript describes an alternative way of handling diffraction data recorded by serial femtosecond crystallography, by mapping the diffracted intensities into three-dimensional reciprocal space rather than integrating each image in two dimensions as in the classical approach. We call this procedure 'three-dimensional merging'. This procedure retains information about asymmetry in Bragg peaks and diffracted intensities between Bragg spots. This intensity distribution can be used to extract reflection intensities for structure determination and opens up novel avenues for post-refinement, while observed intensity between Bragg peaks and peak asymmetry are of potential use in novel direct phasing strategies.

The 100th Anniversary of X-Ray Crystallography

Directory of Open Access Journals (Sweden)

Kojić-Prodić, B.

2013-07-01

Full Text Available The important thing in science is not so much to obtain new facts as to discover new ways of thinking about them.W. L. BraggThe 100th anniversary of X-ray crystallography dates back to the first X-ray diffraction experiment on a crystal of copper sulphate pentahydrate. Max von Laue designed the theoretical background of the experiment, which was performed by German physicists W. Friedrich and P. Knipping in 1912. At that time, the mathematical formulation of the phenomenon and the fundamental concepts of crystallography were subjects of mineralogy. Altogether, they facilitated the development of methods for determination of the structure of matter at the atomic level. In 1913, father and son Bragg started to develop X-ray structure analysis for determination of crystal structures of simple molecules. Historic examples of structure determination starting from rock salt to complex, biologically important (macromolecules, such as globular proteins haemoglobin and myoglobin, DNA, vitamin B12 and the recent discovery of ribozyme, illustrate the development of X-ray structural analysis. The determination of 3D structures of these molecules by X-ray diffraction had opened new areas of scientific research, such as molecular biophysics, molecular genetics, structural molecular biology, bioinorganic chemistry, organometallic chemistry, and many others. The discovery and development of X-ray crystallography revolutionised our understanding of natural sciences – physics, chemistry, biology, and also science of materials. The scientific community recognised these fundamental achievements (including the discovery of X-rays by awarding twenty-eight Nobel prizes to thirty-nine men and two women. The explosive growth of science and technology in the 20th and 21st centuries had been founded on the detailed knowledge of the three-dimensional structure of molecules, which was the basis for explaining and predicting the physical, chemical, biological and

Fully automated data collection and processing system on macromolecular crystallography beamlines at the PF

International Nuclear Information System (INIS)

Yamada, Yusuke; Hiraki, Masahiko; Matsugaki, Naohiro; Chavas, Leonard M.G.; Igarashi, Noriyuki; Wakatsuki, Soichi

2012-01-01

Fully automated data collection and processing system has been developed on macromolecular crystallography beamlines at the Photon Factory. In this system, the sample exchange, centering and data collection are sequentially performed for all samples stored in the sample exchange system at a beamline without any manual operations. Data processing of collected data sets is also performed automatically. These results are stored into the database system, and users can monitor the progress and results of automated experiment via a Web browser. (author)

A history of experimental phasing in macromolecular crystallography

OpenAIRE

Isaacs, Neil

2016-01-01

It was just over a century ago that W. L. Bragg published a paper describing the first crystal structures to be determined using X-ray diffraction data. These structures were obtained from considerations of X-ray diffraction (Bragg equation), crystallography (crystal lattices and symmetry) and the scattering power of different atoms. Although W. H. Bragg proposed soon afterwards, in 1915, that the periodic electron density in crystals could be analysed using Fourier transforms, it took some d...

Automation of specimen selection and data acquisition for protein electron crystallography

NARCIS (Netherlands)

Oostergetel, G.T.; Keegstra, W.; Brisson, A.D R

A system is presented for semi-automatic specimen selection and data acquisition for protein electron crystallography, based on a slow-scan CCD camera connected to a transmission electron microscope and control from an external computer. Areas of interest on the specimen are localised at low

Connecticut Transit (CTTRANSIT) Fuel Cell Transit Bus: Preliminary Evaluation Results

Energy Technology Data Exchange (ETDEWEB)

Chandler, K.; Eudy, L.

2008-10-01

This report provides preliminary results from a National Renewable Energy Laboratory evaluation of a protoptye fuel cell transit bus operating at Connecticut Transit in Hartford. Included are descriptions of the planned fuel cell bus demonstration and equipment; early results and agency experience are also provided.

Preliminary results of a PWA of the centrally produced {phi}{phi} system

Energy Technology Data Exchange (ETDEWEB)

Marco A. Reyes et al.

2001-11-02

The authors present preliminary results of a Partial Wave Analysis of the centrally produced {phi}{phi} system at 800 GeV/c in the reaction pp {yields} p{sub slow} ({phi}{phi})p{sub fast}. The preliminary results with one and two M = 0 waves, indicate that most of the cross section can be described by two waves, with J{sup PC} LS{sup {eta}} = 2{sup 2}02{sup -1}, 0{sup 2}00{sup -1}.

Accounting for partiality in serial crystallography using ray-tracing principles

International Nuclear Information System (INIS)

Kroon-Batenburg, Loes M. J.; Schreurs, Antoine M. M.; Ravelli, Raimond B. G.; Gros, Piet

2015-01-01

Serial crystallography generates partial reflections from still diffraction images. Partialities are estimated with EVAL ray-tracing simulations, thereby improving merged reflection data to a similar quality as conventional rotation data. Serial crystallography generates ‘still’ diffraction data sets that are composed of single diffraction images obtained from a large number of crystals arbitrarily oriented in the X-ray beam. Estimation of the reflection partialities, which accounts for the expected observed fractions of diffraction intensities, has so far been problematic. In this paper, a method is derived for modelling the partialities by making use of the ray-tracing diffraction-integration method EVAL. The method estimates partialities based on crystal mosaicity, beam divergence, wavelength dispersion, crystal size and the interference function, accounting for crystallite size. It is shown that modelling of each reflection by a distribution of interference-function weighted rays yields a ‘still’ Lorentz factor. Still data are compared with a conventional rotation data set collected from a single lysozyme crystal. Overall, the presented still integration method improves the data quality markedly. The R factor of the still data compared with the rotation data decreases from 26% using a Monte Carlo approach to 12% after applying the Lorentz correction, to 5.3% when estimating partialities by EVAL and finally to 4.7% after post-refinement. The merging R int factor of the still data improves from 105 to 56% but remains high. This suggests that the accuracy of the model parameters could be further improved. However, with a multiplicity of around 40 and an R int of ∼50% the merged still data approximate the quality of the rotation data. The presented integration method suitably accounts for the partiality of the observed intensities in still diffraction data, which is a critical step to improve data quality in serial crystallography

Accounting for partiality in serial crystallography using ray-tracing principles

Energy Technology Data Exchange (ETDEWEB)

Kroon-Batenburg, Loes M. J., E-mail: l.m.j.kroon-batenburg@uu.nl; Schreurs, Antoine M. M. [Utrecht University, Padualaan 8, 3584 CH Utrecht (Netherlands); Ravelli, Raimond B. G. [Maastricht University, PO Box 616, 6200 MD Maastricht (Netherlands); Gros, Piet [Utrecht University, Padualaan 8, 3584 CH Utrecht (Netherlands)

2015-08-25

Serial crystallography generates partial reflections from still diffraction images. Partialities are estimated with EVAL ray-tracing simulations, thereby improving merged reflection data to a similar quality as conventional rotation data. Serial crystallography generates ‘still’ diffraction data sets that are composed of single diffraction images obtained from a large number of crystals arbitrarily oriented in the X-ray beam. Estimation of the reflection partialities, which accounts for the expected observed fractions of diffraction intensities, has so far been problematic. In this paper, a method is derived for modelling the partialities by making use of the ray-tracing diffraction-integration method EVAL. The method estimates partialities based on crystal mosaicity, beam divergence, wavelength dispersion, crystal size and the interference function, accounting for crystallite size. It is shown that modelling of each reflection by a distribution of interference-function weighted rays yields a ‘still’ Lorentz factor. Still data are compared with a conventional rotation data set collected from a single lysozyme crystal. Overall, the presented still integration method improves the data quality markedly. The R factor of the still data compared with the rotation data decreases from 26% using a Monte Carlo approach to 12% after applying the Lorentz correction, to 5.3% when estimating partialities by EVAL and finally to 4.7% after post-refinement. The merging R{sub int} factor of the still data improves from 105 to 56% but remains high. This suggests that the accuracy of the model parameters could be further improved. However, with a multiplicity of around 40 and an R{sub int} of ∼50% the merged still data approximate the quality of the rotation data. The presented integration method suitably accounts for the partiality of the observed intensities in still diffraction data, which is a critical step to improve data quality in serial crystallography.

A Maltose-Binding Protein Fusion Construct Yields a Robust Crystallography Platform for MCL1.

Directory of Open Access Journals (Sweden)

Matthew C Clifton

Full Text Available Crystallization of a maltose-binding protein MCL1 fusion has yielded a robust crystallography platform that generated the first apo MCL1 crystal structure, as well as five ligand-bound structures. The ability to obtain fragment-bound structures advances structure-based drug design efforts that, despite considerable effort, had previously been intractable by crystallography. In the ligand-independent crystal form we identify inhibitor binding modes not observed in earlier crystallographic systems. This MBP-MCL1 construct dramatically improves the structural understanding of well-validated MCL1 ligands, and will likely catalyze the structure-based optimization of high affinity MCL1 inhibitors.

A novel inert crystal delivery medium for serial femtosecond crystallography

Directory of Open Access Journals (Sweden)

Chelsie E. Conrad

2015-07-01

Full Text Available Serial femtosecond crystallography (SFX has opened a new era in crystallography by permitting nearly damage-free, room-temperature structure determination of challenging proteins such as membrane proteins. In SFX, femtosecond X-ray free-electron laser pulses produce diffraction snapshots from nanocrystals and microcrystals delivered in a liquid jet, which leads to high protein consumption. A slow-moving stream of agarose has been developed as a new crystal delivery medium for SFX. It has low background scattering, is compatible with both soluble and membrane proteins, and can deliver the protein crystals at a wide range of temperatures down to 4°C. Using this crystal-laden agarose stream, the structure of a multi-subunit complex, phycocyanin, was solved to 2.5 Å resolution using 300 µg of microcrystals embedded into the agarose medium post-crystallization. The agarose delivery method reduces protein consumption by at least 100-fold and has the potential to be used for a diverse population of proteins, including membrane protein complexes.

MolProbity: all-atom structure validation for macromolecular crystallography

International Nuclear Information System (INIS)

Chen, Vincent B.; Arendall, W. Bryan III; Headd, Jeffrey J.; Keedy, Daniel A.; Immormino, Robert M.; Kapral, Gary J.; Murray, Laura W.; Richardson, Jane S.; Richardson, David C.

2010-01-01

MolProbity structure validation will diagnose most local errors in macromolecular crystal structures and help to guide their correction. MolProbity is a structure-validation web service that provides broad-spectrum solidly based evaluation of model quality at both the global and local levels for both proteins and nucleic acids. It relies heavily on the power and sensitivity provided by optimized hydrogen placement and all-atom contact analysis, complemented by updated versions of covalent-geometry and torsion-angle criteria. Some of the local corrections can be performed automatically in MolProbity and all of the diagnostics are presented in chart and graphical forms that help guide manual rebuilding. X-ray crystallography provides a wealth of biologically important molecular data in the form of atomic three-dimensional structures of proteins, nucleic acids and increasingly large complexes in multiple forms and states. Advances in automation, in everything from crystallization to data collection to phasing to model building to refinement, have made solving a structure using crystallography easier than ever. However, despite these improvements, local errors that can affect biological interpretation are widespread at low resolution and even high-resolution structures nearly all contain at least a few local errors such as Ramachandran outliers, flipped branched protein side chains and incorrect sugar puckers. It is critical both for the crystallographer and for the end user that there are easy and reliable methods to diagnose and correct these sorts of errors in structures. MolProbity is the authors’ contribution to helping solve this problem and this article reviews its general capabilities, reports on recent enhancements and usage, and presents evidence that the resulting improvements are now beneficially affecting the global database

Danish Anaesthesia Allergy Centre - preliminary results

DEFF Research Database (Denmark)

Garvey, L H; Roed-Petersen, J; Menné, T

2001-01-01

BACKGROUND: Anaphylactoid reactions in anaesthesia are rare and should ideally be investigated in specialist centres. At Gentofte University Hospital, we established such a centre in 1998 as a joint venture between the Departments of Anaesthesiology and Dermatology. We present the methodology...... of in vitro testing and skin testing. Blood samples for tryptase analysis are taken at the time of reaction and a control sample is taken together with samples for specific IgE analysis 2-4 weeks after the reaction. Subsequent skin testing comprises both prick tests and intradermal tests in most cases...... for chlorhexidine. Only one patient has tested positive to a neuromuscular blocking drug (NMBD) so far. DISCUSSION: Our preliminary results appear to differ in two ways from results usually found in this field. Firstly, only one patient has tested positive for a NMBD and secondly, we have had four patients...

Synthesis, spectroscopy, X-ray crystallography, and DFT computations of nanosized phosphazenes

Czech Academy of Sciences Publication Activity Database

Shariatinia, Z.; Moghadam, E.J.; Maghsoudi, N.; Mousavi, H.S.M.; Dušek, Michal; Eigner, Václav

2015-01-01

Roč. 641, č. 5 (2015), s. 967-978 ISSN 0044-2313 Grant - others:AV ČR(CZ) Praemium Academiae Institutional support: RVO:68378271 Keywords : phosphazene * ultrasonic * nanoparticle * x-ray crystallography * DFT calculation Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.261, year: 2015

King County Metro Battery Electric Bus Demonstration: Preliminary Project Results

Energy Technology Data Exchange (ETDEWEB)

2017-05-22

The U.S. Federal Transit Administration (FTA) funds a variety of research projects that support the commercialization of zero-emission bus technology. To evaluate projects funded through these programs, FTA has enlisted the help of the National Renewable Energy Laboratory (NREL) to conduct third-party evaluations of the technologies deployed under the FTA programs. NREL works with the selected agencies to evaluate the performance of the zero-emission buses compared to baseline conventional buses in similar service. The evaluation effort will advance the knowledge base of zero-emission technologies in transit bus applications and provide 'lessons learned' to aid other fleets in incrementally introducing next generation zero-emission buses into their operations. This report provides preliminary performance evaluation results from a demonstration of three zero-emission battery electric buses at King County Metro in King County, Washington. NREL developed this preliminary results report to quickly disseminate evaluation results to stakeholders. Detailed evaluation results will be published in future reports.

Integrated Controlling System and Unified Database for High Throughput Protein Crystallography Experiments

International Nuclear Information System (INIS)

Gaponov, Yu.A.; Igarashi, N.; Hiraki, M.; Sasajima, K.; Matsugaki, N.; Suzuki, M.; Kosuge, T.; Wakatsuki, S.

2004-01-01

An integrated controlling system and a unified database for high throughput protein crystallography experiments have been developed. Main features of protein crystallography experiments (purification, crystallization, crystal harvesting, data collection, data processing) were integrated into the software under development. All information necessary to perform protein crystallography experiments is stored (except raw X-ray data that are stored in a central data server) in a MySQL relational database. The database contains four mutually linked hierarchical trees describing protein crystals, data collection of protein crystal and experimental data processing. A database editor was designed and developed. The editor supports basic database functions to view, create, modify and delete user records in the database. Two search engines were realized: direct search of necessary information in the database and object oriented search. The system is based on TCP/IP secure UNIX sockets with four predefined sending and receiving behaviors, which support communications between all connected servers and clients with remote control functions (creating and modifying data for experimental conditions, data acquisition, viewing experimental data, and performing data processing). Two secure login schemes were designed and developed: a direct method (using the developed Linux clients with secure connection) and an indirect method (using the secure SSL connection using secure X11 support from any operating system with X-terminal and SSH support). A part of the system has been implemented on a new MAD beam line, NW12, at the Photon Factory Advanced Ring for general user experiments

Design of a High-Throughput Biological Crystallography Beamline for Superconducting Wiggler

International Nuclear Information System (INIS)

Tseng, P.C.; Chang, C.H.; Fung, H.S.; Ma, C.I.; Huang, L.J.; Jean, Y.C.; Song, Y.F.; Huang, Y.S.; Tsang, K.L.; Chen, C.T.

2004-01-01

We are constructing a high-throughput biological crystallography beamline BL13B, which utilizes the radiation generated from a 3.2 Tesla, 32-pole superconducting multipole wiggler, for multi-wavelength anomalous diffraction (MAD), single-wavelength anomalous diffraction (SAD), and other related experiments. This beamline is a standard double crystal monochromator (DCM) x-ray beamline equipped with a collimating mirror (CM) and a focusing mirror (FM). Both the CM and FM are one meter long and made of Si substrate, and the CM is side-cooled by water. Based on detailed thermal analysis, liquid nitrogen (LN2) cooling for both crystals of the DCM has been adopted to optimize the energy resolution and photon beam throughput. This beamline will deliver, through a 100 μm diameter pinhole, photon flux of greater than 1011 photons/sec in the energy range from 6.5 keV to 19 keV, which is comparable to existing protein crystallography beamlines from bending magnet source at high energy storage rings

An expanded allosteric network in PTP1B by multitemperature crystallography, fragment screening, and covalent tethering.

Science.gov (United States)

Keedy, Daniel A; Hill, Zachary B; Biel, Justin T; Kang, Emily; Rettenmaier, T Justin; Brandao-Neto, Jose; Pearce, Nicholas M; von Delft, Frank; Wells, James A; Fraser, James S

2018-06-07

Allostery is an inherent feature of proteins, but it remains challenging to reveal the mechanisms by which allosteric signals propagate. A clearer understanding of this intrinsic circuitry would afford new opportunities to modulate protein function. Here we have identified allosteric sites in protein tyrosine phosphatase 1B (PTP1B) by combining multiple-temperature X-ray crystallography experiments and structure determination from hundreds of individual small-molecule fragment soaks. New modeling approaches reveal 'hidden' low-occupancy conformational states for protein and ligands. Our results converge on allosteric sites that are conformationally coupled to the active-site WPD loop and are hotspots for fragment binding. Targeting one of these sites with covalently tethered molecules or mutations allosterically inhibits enzyme activity. Overall, this work demonstrates how the ensemble nature of macromolecular structure, revealed here by multitemperature crystallography, can elucidate allosteric mechanisms and open new doors for long-range control of protein function. © 2018, Keedy et al.

Electron crystallography with the EIGER detector

Directory of Open Access Journals (Sweden)

Gemma Tinti

2018-03-01

Full Text Available Electron crystallography is a discipline that currently attracts much attention as method for inorganic, organic and macromolecular structure solution. EIGER, a direct-detection hybrid pixel detector developed at the Paul Scherrer Institut, Switzerland, has been tested for electron diffraction in a transmission electron microscope. EIGER features a pixel pitch of 75 × 75 µm2, frame rates up to 23 kHz and a dead time between frames as low as 3 µs. Cluster size and modulation transfer functions of the detector at 100, 200 and 300 keV electron energies are reported and the data quality is demonstrated by structure determination of a SAPO-34 zeotype from electron diffraction data.

Structural investigations of biogenic iron oxide samples. Preliminary results

International Nuclear Information System (INIS)

Balasoiu, M.; Kuklin, A.I.; Orelovich, O.L.; Kovalev, Yu.S.; Arzumanyan, G.M.; Kurkin, T.S.; Stolyar, S.V.; Iskhakov, R.S.; Rajkher, Yu.L.

2008-01-01

Some preliminary results on morphology and structure of iron oxide particles formed inside Klebsiella oxytoca bacteria are presented. In particular, by means of optical microscopy, scanning electron microscopy and small-angle X-ray scattering the effect of the bacteria age (the duration of growth) on the nanoparticles properties is studied

X-ray crystallography facility for the international space station

International Nuclear Information System (INIS)

McdDonald, William T.; Lewis, Johanna L.; Smith, Craig D.; DeLucas, Lawrence J.

1997-01-01

Directed by NASA's Office of Space Access and Technology (OSAT), the University of Alabama at Birmingham (UAB) Center for Macromolecular Crystallography (CMC) recently completed a Design Feasibility Study for the X-ray Crystallography Facility (XCF) for the International Space Station (ISS). The XCF is a facility for growing macromolecular protein crystals; harvesting, selecting, and mounting sample crystals, and snap-freezing the samples, if necessary; performing x-ray diffraction; and downlinking the diffraction data to the ground. Knowledge of the structure of protein molecules is essential for the development of pharmaceuticals by structure-based drug design techniques. Currently, x-ray diffraction of high quality protein crystals is the only method of determining the structure of these macromolecules. High quality protein crystals have been grown in microgravity onboard the Space Shuttle Orbiter for more than 10 years, but these crystals always have been returned to Earth for x-ray diffraction. The XCF will allow crystal growth, harvesting, mounting, and x-ray diffraction onboard the ISS, maximizing diffraction data quality and timeliness. This paper presents the XCF design concept, describing key feasibility issues for the ISS application and advanced technologies and operational features which resolve those issues. The conclusion is that the XCF design is feasible and can be operational onboard the ISS by early in 2002

Protein Crystallography: A 'Must' Technology for Drug Design

International Nuclear Information System (INIS)

Matsuzaki, Takao

2004-01-01

The history of drug-related protein crystallography and drug design is reviewed to show that 'Lead Generation' is high-lighted in the pharmaceutical industry nowadays. A new drug design method has been developed. The method gave very high success rate; 10-60 % gave < 100 μM, 90 % gave < 10 mM. The crystal structures of drug-protein complexes have become even more important to give solid experimental bases for e.g. 1,000 designed structures and to find the new mechanisms of drug action

Remote sensing using hydroacoustics preliminary results

International Nuclear Information System (INIS)

Hunt, G.; Patrick, P.H.; Sim, B.

1989-01-01

A laboratory investigation was conducted to determine the capability and accuracy of a dual beam sonar system in classifying various targets. The ability to classify fish and/or distinguish fish from debris is essential if hydroacoustics are ever to be used truly remotely for hydroelectric power plant fish passage facilities. Preliminary results indicated that considerable filtering was occurring in the sonar sounder which limited its use in target classification. A wideband sonar detection module was developed which allowed for a more detailed reflected signal which probably will be necessary for fish identification. Another advantage that this modification appears to have over the existing system is an improved spatial resolution of targets, which can be significant if biomass estimates are based on echo counting techniques rather than echo integration ones. Based on the results, it may be possible to filter out or remove the influence of air bubbles in echo returns. As a result echo counts could more accurately be defined as fish counts. Target strengths of sturgeon were estimated using both the modified and original sounder. 12 refs., 11 figs., 2 tabs

JBluIce-EPICS control system for macromolecular crystallography

International Nuclear Information System (INIS)

Stepanov, S.; Makarov, O.; Hilgart, M.; Pothineni, S.; Urakhchin, A.; Devarapalli, S.; Yoder, D.; Becker, M.; Ogata, C.; Sanishvili, R.; Nagarajan, V.; Smith, J.L.; Fischetti, R.F.

2011-01-01

The trio of macromolecular crystallography beamlines constructed by the General Medicine and Cancer Institutes Collaborative Access Team (GM/CA-CAT) in Sector 23 of the Advanced Photon Source (APS) have been in growing demand owing to their outstanding beam quality and capacity to measure data from crystals of only a few micrometres in size. To take full advantage of the state-of-the-art mechanical and optical design of these beamlines, a significant effort has been devoted to designing fast, convenient, intuitive and robust beamline controls that could easily accommodate new beamline developments. The GM/CA-CAT beamline controls are based on the power of EPICS for distributed hardware control, the rich Java graphical user interface of Eclipse RCP and the task-oriented philosophy as well as the look and feel of the successful SSRL BluIce graphical user interface for crystallography. These beamline controls feature a minimum number of software layers, the wide use of plug-ins that can be written in any language and unified motion controls that allow on-the-fly scanning and optimization of any beamline component. This paper describes the ways in which BluIce was combined with EPICS and converted into the Java-based JBluIce, discusses the solutions aimed at streamlining and speeding up operations and gives an overview of the tools that are provided by this new open-source control system for facilitating crystallographic experiments, especially in the field of microcrystallography.

Preliminary results of statistical dynamic experiments on a heat exchanger

International Nuclear Information System (INIS)

Corran, E.R.; Cummins, J.D.

1962-10-01

The inherent noise signals present in a heat exchanger have been recorded and analysed in order to determine some of the statistical dynamic characteristics of the heat exchanger. These preliminary results show that the primary side temperature frequency response may be determined by analysing the inherent noise. The secondary side temperature frequency response and cross coupled temperature frequency responses between primary and secondary are poorly determined because of the presence of a non-stationary noise source in the secondary circuit of this heat exchanger. This may be overcome by correlating the dependent variables with an externally applied noise signal. Some preliminary experiments with an externally applied random telegraph type of signal are reported. (author)

Neutron protein crystallography

Energy Technology Data Exchange (ETDEWEB)

Niimura, Nobuo [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

1998-10-01

X-ray diffraction of single crystal has enriched the knowledge of various biological molecules such as proteins, DNA, t-RNA, viruses, etc. It is difficult to make structural analysis of hydrogen atoms in a protein using X-ray crystallography, whereas neutron diffraction seems usable to directly determine the location of those hydrogen atoms. Here, neutron diffraction method was applied to structural analysis of hen egg-white lysozyme. Since the crystal size of a protein to analyze is generally small (5 mm{sup 3} at most), the neutron beam at the sample position in monochromator system was set to less than 5 x 5 mm{sup 2} and beam divergence to 0.4 degree or less. Neutron imaging plate with {sup 6}Li or Gd mixed with photostimulated luminescence material was used and about 2500 Bragg reflections were recorded in one crystal setting. A total of 38278 reflections for 2.0 A resolution were collected in less than 10 days. Thus, stereo views of Trp-111 omit map around the indol ring of Trp-111 was presented and the three-dimensional arrangement of 696H and 264D atoms in the lysozyme molecules was determined using the omit map. (M.N.)

Preliminary result and upgrade from WISPDMX Phase II

Energy Technology Data Exchange (ETDEWEB)

Nguyen, Le Hoang; Horns, Dieter [Institut fur Experimentalphysik, Universitat Hamburg (Germany); Lobanov, Andrei [Institut fur Experimentalphysik, Universitat Hamburg (Germany); Max-Planck-Institut fur Radioastronomie, Bonn (Germany)

2016-07-01

The microwave cavity experiment WISPDMX is the first direct WISP (Weakly interactive slim particles) dark matter search experiment probing the particle masses in the 0.8-2.0 eV range. The first stage of WISPDMX measurements has been completed at nominal resonant frequencies of the cavity. The upgrading of the data acquisition and analysing has been done to increase the sensitivity of the experiment. We report preliminary result from the cavity tuning at second stage of WISPDMX.

Distributed control of protein crystallography beamline 5.0 using CORBA

International Nuclear Information System (INIS)

Timossi, Chris

1999-01-01

The Protein Crystallography Beamline at Berkeley Lab's Advanced Light Source is a facility that is being used to solve the structure of proteins. The software that is being used to control this beamline uses Java for user interface applications which communicate via CORBA with workstations that control the beamline hardware. We describe the software architecture for the beamline and our experiences after two years of operation

Semi-empirical atom-atom interaction models and X-ray crystallography

International Nuclear Information System (INIS)

Braam, A.W.M.

1981-01-01

Several aspects of semi-empirical energy calculations in crystallography are considered. Solid modifications of ethane have been studied using energy calculations and a fast summation technique has been evaluated. The structure of tetramethylpyrazine has been determined at room temperature and at 100K and accurate structure factors have been derived from measured Bragg intensities. Finally electrostatic properties have been deduced from X-ray structure factors. (C.F.)

NSLS-II biomedical beamlines for micro-crystallography, FMX, and for highly automated crystallography, AMX: New opportunities for advanced data collection

Energy Technology Data Exchange (ETDEWEB)

Fuchs, Martin R., E-mail: mfuchs@bnl.gov; Bhogadi, Dileep K.; Jakoncic, Jean; Myers, Stuart; Sweet, Robert M.; Berman, Lonny E.; Skinner, John; Idir, Mourad; Chubar, Oleg; McSweeney, Sean; Schneider, Dieter K. [National Synchrotron Light Source II, Brookhaven National Laboratory, Upton, NY 11973 (United States)

2016-07-27

We present the final design of the x-ray optics and experimental stations of two macromolecular crystallography (MX) beamlines at the National Synchrotron Light Source-II. The microfocusing FMX beamline will deliver a flux of ∼5×10{sup 12} ph/s at 1 Å into a 1 – 20 µm spot, its flux density surpassing current MX beamlines by up to two orders of magnitude. It covers an energy range from 5 – 30 keV. The highly automated AMX beamline is optimized for high throughput, with beam sizes from 4 – 100 µm, an energy range of 5 – 18 keV and a flux at 1 Å of ∼10{sup 13} ph/s. A focus in designing the beamlines lay on achieving high beam stability, for example by implementing a horizontal bounce double crystal monochromator at FMX. A combination of compound refractive lenses and bimorph mirror optics at FMX supports rapid beam size changes. Central components of the in-house developed experimental stations are horizontal axis goniometers with a target sphere of confusion of 100 nm, piezo-slits for dynamic beam size changes during diffraction experiments, dedicated secondary goniometers for data collection from specimen in crystallization plates, and next generation pixel array detectors. FMX and AMX will support a broad range of biomedical structure determination methods from serial crystallography on micron-sized crystals, to structure determination of complexes in large unit cells, to rapid sample screening and room temperature data collection of crystals in trays.

Native sulfur/chlorine SAD phasing for serial femtosecond crystallography.

Science.gov (United States)

Nakane, Takanori; Song, Changyong; Suzuki, Mamoru; Nango, Eriko; Kobayashi, Jun; Masuda, Tetsuya; Inoue, Shigeyuki; Mizohata, Eiichi; Nakatsu, Toru; Tanaka, Tomoyuki; Tanaka, Rie; Shimamura, Tatsuro; Tono, Kensuke; Joti, Yasumasa; Kameshima, Takashi; Hatsui, Takaki; Yabashi, Makina; Nureki, Osamu; Iwata, So; Sugahara, Michihiro

2015-12-01

Serial femtosecond crystallography (SFX) allows structures to be determined with minimal radiation damage. However, phasing native crystals in SFX is not very common. Here, the structure determination of native lysozyme from single-wavelength anomalous diffraction (SAD) by utilizing the anomalous signal of sulfur and chlorine at a wavelength of 1.77 Å is successfully demonstrated. This sulfur SAD method can be applied to a wide range of proteins, which will improve the determination of native crystal structures.

1ST-TRIMESTER SCREENING FOR FETAL CHROMOSOMAL-ABNORMALITIES - PRELIMINARY-RESULTS

NARCIS (Netherlands)

VANLITH, JMM

We have started a multicentre trial to study the possibilities of first-trimester maternal serum screening for fetal chromosomal abnormalities. Maternal blood samples were obtained before 13 weeks of gestation. We present the preliminary results of the first 950 patients on alpha-fetoprotein (AFP).

Preliminary results of neutron production in Sahand plasma focus device

International Nuclear Information System (INIS)

Siahpoush, V.; Mohammadi, M.A.; Khorram, S.; Shabani, I.; Borhanian, J.; Ashrafi, S.; Naghshara, H.; Moslehi-Fard, M.; Sobhanian, S.

2004-01-01

We report in this paper the preliminary results of neutron generation during fusion reaction in deuterium in the Sahand Filipov type plasma focus, recently installed and put in operation at Tabriz University. The special calibration procedure for neutron detection system, using activation method is described

Preliminary Results of the Louisiana Sex Offender Treatment Program

Directory of Open Access Journals (Sweden)

Lee A. Underwood

2015-12-01

Full Text Available The purpose of this study was to offer preliminary support for the Louisiana Sex Offender Treatment Program (LSOTP in addressing the needs of juvenile sex offenders. Research objectives were (1 to offer statistical evidence for reductions in anxiety, depression, cognitive distortion and negative attitudes towards women comparing a group of 21 adolescents, 12 of whom received services as usual and nine of whom participated in the LSOTP. A controlled experimental evaluation design was utilized. The juvenile sex offenders were randomly assigned to the experimental group for 12 weeks receiving treatment services and a control group receiving care “as usual” in a residential group care program. Participants in the experimental group experienced statistically significant decreases in cognitive distortions related specifically to rape and molestation.The results of this study offer preliminary support of the LSOTP as a best practices alternative to other treatment modalities.

Using the Plan View to Teach Basic Crystallography in General Chemistry

Science.gov (United States)

Cushman, Cody V.; Linford, Matthew R.

2015-01-01

The plan view is used in crystallography and materials science to show the positions of atoms in crystal structures. However, it is not widely used in teaching general chemistry. In this contribution, we introduce the plan view, and show these views for the simple cubic, body-centered cubic, face-centered cubic, hexagonal close packed, CsCl, NaCl,…

PILATUS: a two-dimensional X-ray detector for macromolecular crystallography

CERN Document Server

Eikenberry, E F; Huelsen, G; Toyokawa, H; Horisberger, R P; Schmitt, B; Schulze-Briese, C; Tomizaki, T

2003-01-01

A large quantum-limited area X-ray detector for protein crystallography is under development at the Swiss Light Source. The final detector will be 2kx2k pixels covering 40x40 cm sup 2. A three-module prototype with 1120x157 pixels covering an active area of 24.3x3.4 cm sup 2 has been tested. X-rays above 6 keV with peak count rates exceeding 5x10 sup 5 X-ray/pixel/s could be detected in single photon counting mode. Statistics of module production and results of threshold trimming are presented. To demonstrate the potential of this new detector, protein crystal data were collected at beamline 6S of the SLS.

Trade-off results and preliminary designs of Near-Term Hybrid Vehicles

Science.gov (United States)

Sandberg, J. J.

1980-01-01

Phase I of the Near-Term Hybrid Vehicle Program involved the development of preliminary designs of electric/heat engine hybrid passenger vehicles. The preliminary designs were developed on the basis of mission analysis, performance specification, and design trade-off studies conducted independently by four contractors. THe resulting designs involve parallel hybrid (heat engine/electric) propulsion systems with significant variation in component selection, power train layout, and control strategy. Each of the four designs is projected by its developer as having the potential to substitute electrical energy for 40% to 70% of the petroleum fuel consumed annually by its conventional counterpart.

Preliminary test results for post irradiation examination on the HTTR fuel

International Nuclear Information System (INIS)

Ueta, Shohei; Umeda, Masayuki; Sawa, Kazuhiro; Sozawa, Shizuo; Shimizu, Michio; Ishigaki, Yoshinobu; Obata, Hiroyuki

2007-01-01

The future post-irradiation program for the first-loading fuel of the HTTR is scheduled using the HTTR fuel handling facilities and the Hot Laboratory in the Japan Materials Testing Reactor (JMTR) to confirm its irradiation resistance and to obtain data on its irradiation characteristics in the core. This report describes the preliminary test results and the future plan for a post-irradiation examination for the HTTR fuel. In the preliminary test, fuel compacts made with the same SiC-coated fuel particle as the first loading fuel were used. In the preliminary test, dimension, weight, fuel failure fraction, and burnup were measured, and X-ray radiograph, SEM, and EPMA observations were carried out. Finally, it was confirmed that the first-loading fuel of the HTTR showed good quality under an irradiation condition. The future plan for the post-irradiation tests was described to confirm its irradiation performance and to obtain data on its irradiation characteristics in the HTTR core. (author)

Preliminary results of an oilspill risk analysis for the Bombay High Region

Digital Repository Service at National Institute of Oceanography (India)

Mascarenhas, A.A.M.Q.; Gouveia, A.D.; Sitaraman, R.

oil were analysed, covering estimates of the time between spill occurrence and contact with resources. The combined results yielded estimates of the overall risks associated with production within the developmental area. Preliminary results...

Ten Good Reasons for the Use of the Tellurium-Centered Anderson-Evans Polyoxotungstate in Protein Crystallography.

Science.gov (United States)

Bijelic, Aleksandar; Rompel, Annette

2017-06-20

to proteins, TEW with its highly negative charge addresses in principle all proteins possessing positively charged patches. Furthermore, due to its high structural and chemical diversity, TEW exhibits major advantages over some commonly used crystallization additives. Therefore, we summarized all features of TEW, which are beneficial for protein crystallization, and present ten good reasons to promote the use of TEW in protein crystallography as a powerful additive. Our results demonstrate that TEW is a compound that is, in many respects, predestined as a crystallization additive. We assume that many crystallographers and especially researchers, who are not experts in this field but willing to crystallize their structurally unknown target protein, could benefit from the use of TEW as it is able to promote both the crystallization process itself and the subsequent structure elucidation by providing valuable anomalous signals, which are helpful for the phasing step.

A new fixed-target approach for serial crystallography at synchrotron light sources and X-ray free electron lasers

International Nuclear Information System (INIS)

Roedig, Philip

2017-07-01

In the framework of this thesis, a new method for high-speed fixed-target serial crystallography experiments and its applicability to biomacromolecular crystallography at both synchrotron light sources and X-ray free electron lasers (XFELs) is presented. The method is based on a sample holder, which can carry up to 20,000 microcrystals and which is made of single-crystalline silicon. Using synchrotron radiation, the structure of Operophtera brumata cytoplasmic polyhedrosis virus type 18 polyhedrin, lysozyme and cubic insulin was determined by collecting X-ray diffraction data from multiple microcrystals. Data collection was shown to be possible at both cryogenic and ambient conditions. For room-temperature measurements, both global and specific indications of radiation damage were investigated and characterized. Due to the sieve-like structure of the chip, the microcrystals tend to arrange themselves according to the micropore pattern, which allows for efficient sampling of the sample material. In combination with a high-speed scanning stage, the sample holder was furthermore shown to be highly suitable for serial femtosecond crystallography experiments. By fast raster scanning of the chip through the pulsed X-ray beam of an XFEL, structure determination of a virus, using the example of bovine enterovirus type 2, has been demonstrated at an XFEL for the first time. Hit rates of up to 100% were obtained by the presented method, which refers to a reduction in sample consumption by at least three orders of magnitude with respect to common liquid-jet injection methods used for sample delivery. In this way, the typical time needed for data collection in serial femtosecond crystallography is significantly decreased. The presented technique for sample loading of the chip is easy to learn and results in efficient removal of the surrounding mother liquor, thereby reducing the generated background signal. Since the chip is made of single-crystalline silicon, in principle no

A new fixed-target approach for serial crystallography at synchrotron light sources and X-ray free electron lasers

Energy Technology Data Exchange (ETDEWEB)

Roedig, Philip

2017-07-15

In the framework of this thesis, a new method for high-speed fixed-target serial crystallography experiments and its applicability to biomacromolecular crystallography at both synchrotron light sources and X-ray free electron lasers (XFELs) is presented. The method is based on a sample holder, which can carry up to 20,000 microcrystals and which is made of single-crystalline silicon. Using synchrotron radiation, the structure of Operophtera brumata cytoplasmic polyhedrosis virus type 18 polyhedrin, lysozyme and cubic insulin was determined by collecting X-ray diffraction data from multiple microcrystals. Data collection was shown to be possible at both cryogenic and ambient conditions. For room-temperature measurements, both global and specific indications of radiation damage were investigated and characterized. Due to the sieve-like structure of the chip, the microcrystals tend to arrange themselves according to the micropore pattern, which allows for efficient sampling of the sample material. In combination with a high-speed scanning stage, the sample holder was furthermore shown to be highly suitable for serial femtosecond crystallography experiments. By fast raster scanning of the chip through the pulsed X-ray beam of an XFEL, structure determination of a virus, using the example of bovine enterovirus type 2, has been demonstrated at an XFEL for the first time. Hit rates of up to 100% were obtained by the presented method, which refers to a reduction in sample consumption by at least three orders of magnitude with respect to common liquid-jet injection methods used for sample delivery. In this way, the typical time needed for data collection in serial femtosecond crystallography is significantly decreased. The presented technique for sample loading of the chip is easy to learn and results in efficient removal of the surrounding mother liquor, thereby reducing the generated background signal. Since the chip is made of single-crystalline silicon, in principle no

Preliminary Results on Uncertainty Quantification for Pattern Analytics

Energy Technology Data Exchange (ETDEWEB)

Stracuzzi, David John [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Brost, Randolph [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Chen, Maximillian Gene [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Malinas, Rebecca [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Peterson, Matthew Gregor [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Phillips, Cynthia A. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Robinson, David G. [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States); Woodbridge, Diane [Sandia National Laboratories (SNL-NM), Albuquerque, NM (United States)

2015-09-01

This report summarizes preliminary research into uncertainty quantification for pattern ana- lytics within the context of the Pattern Analytics to Support High-Performance Exploitation and Reasoning (PANTHER) project. The primary focus of PANTHER was to make large quantities of remote sensing data searchable by analysts. The work described in this re- port adds nuance to both the initial data preparation steps and the search process. Search queries are transformed from does the specified pattern exist in the data? to how certain is the system that the returned results match the query? We show example results for both data processing and search, and discuss a number of possible improvements for each.

Authentication by Keystroke Timing: Some Preliminary Results

National Research Council Canada - National Science Library

Gaines, R. S; Lisowski, William; Press, S. J; Shapiro, Norman

1980-01-01

... of an individual seeking access to the computer. This report summarizes preliminary efforts to establish whether an individual can be identified by the statistical characteristics of his or her typing...

Structural Data on the Periplasmic Aldehyde Oxidoreductase PaoABC from Escherichia coli: SAXS and Preliminary X-ray Crystallography Analysis

Directory of Open Access Journals (Sweden)

Ana Rita Otrelo-Cardoso

2014-01-01

Full Text Available The periplasmic aldehyde oxidoreductase PaoABC from Escherichia coli is a molybdenum enzyme involved in detoxification of aldehydes in the cell. It is an example of an αβγ heterotrimeric enzyme of the xanthine oxidase family of enzymes which does not dimerize via its molybdenum cofactor binding domain. In order to structurally characterize PaoABC, X-ray crystallography and small angle X-ray scattering (SAXS have been carried out. The protein crystallizes in the presence of 20% (w/v polyethylene glycol 3350 using the hanging-drop vapour diffusion method. Although crystals were initially twinned, several experiments were done to overcome twinning and lowering the crystallization temperature (293 K to 277 K was the solution to the problem. The non-twinned crystals used to solve the structure diffract X-rays to beyond 1.80 Å and belong to the C2 space group, with cell parameters a = 109.42 Å, b = 78.08 Å, c = 151.77 Å, β = 99.77°, and one molecule in the asymmetric unit. A molecular replacement solution was found for each subunit separately, using several proteins as search models. SAXS data of PaoABC were also collected showing that, in solution, the protein is also an αβγ heterotrimer.

Preliminary Langmuir probe results on the CTX gun experiment

International Nuclear Information System (INIS)

Tuszewski, M.

1981-12-01

Preliminary results obtained with a double Langmuir probe in the Compact Toroid experiment facility confirm the existence of a gun plasma of n approx. 5 x 10 14 cm -3 and T approx. 10 eV lasting for approx. 250 to 400 μs, which is consistent with interferometry and Thomson scattering data. The probe current characteristics as a function of voltage suggest non-Maxwellian features of the particles distribution functions

Preliminary results of Digital Pulse Shape Acquisition from Chimera

International Nuclear Information System (INIS)

Alderighi, D.M.; Sechi, G.; Anzalone, A.; Cavallaro, S.; Giustolisi, F.; Laguidara, E.; Lanzalone, G.; Porto, F.; Bassini, R.; Boiano, C.; Guazzoni, P.; Russo, S.; Sassi, M.; Zetta, L.; Cardella, G.; Defilippo, S.E.; Lanzano, G.; Paganod, A.; Papa, M.; Pirrone, S.; Politi, G.; Geraci, E.

2003-01-01

A 100 MS/s 14-bit Sampling Analog-to-Digital converter has been used to perform digital pulse-shape acquisition of signals collected from CHIMERA telescopes. The signals from a typical CHIMERA detection cell have been collected using both a standard CHIMERA electronic chain up to the amplifier, and a very simple analog front end, basically reduced to the preamplifier. The preliminary on-beam results are presented. (authors)

Preliminary results of Digital Pulse Shape Acquisition from Chimera

Energy Technology Data Exchange (ETDEWEB)

Alderighi, D.M.; Sechi, G. [INFN Milano and IASF, CNR, Milano (France); Anzalone, A.; Cavallaro, S.; Giustolisi, F.; Laguidara, E.; Lanzalone, G.; Porto, F. [Catania Univ., LNS and Dipartimento di Fisica (France); Bassini, R.; Boiano, C.; Guazzoni, P.; Russo, S.; Sassi, M.; Zetta, L. [Milano Univ., INFN and Dipartimento di Fisica (Italy); Cardella, G.; Defilippo, S.E.; Lanzano, G.; Paganod, A.; Papa, M.; Pirrone, S.; Politi, G. [Catania Univ., INFN and Dipartimento di Fisica (Italy); Geraci, E. [Bologna Univ., INFN and Dipartimento di Fisica (Italy)

2003-07-01

A 100 MS/s 14-bit Sampling Analog-to-Digital converter has been used to perform digital pulse-shape acquisition of signals collected from CHIMERA telescopes. The signals from a typical CHIMERA detection cell have been collected using both a standard CHIMERA electronic chain up to the amplifier, and a very simple analog front end, basically reduced to the preamplifier. The preliminary on-beam results are presented. (authors)

Hellenic Amateur Astronomy Association's activities: Preliminary results on Perseids 2010

Science.gov (United States)

Maravelias, G.

2011-01-01

Preliminary results on the Perseids 2010 are presented. Visual and video observations were obtained by the author and a first reduction of the visual data shows that a maximum of ZHR ~120 was reached during the night 12-13 of August 2010. Moreover, a video setup was tested (DMK camera and UFO Capture v2) and the results show that, under some limitations, valuable data can be obtained.

Functional requirements regarding medical registries--preliminary results.

Science.gov (United States)

Oberbichler, Stefan; Hörbst, Alexander

2013-01-01

The term medical registry is used to reference tools and processes to support clinical or epidemiologic research or provide a data basis for decisions regarding health care policies. In spite of this wide range of applications the term registry and the functional requirements which a registry should support are not clearly defined. This work presents preliminary results of a literature review to discover functional requirements which form a registry. To extract these requirements a set of peer reviewed articles was collected. These set of articles was screened by using methods from qualitative research. Up to now most discovered functional requirements focus on data quality (e. g. prevent transcription error by conducting automatic domain checks).

Crystallography: past and present

International Nuclear Information System (INIS)

Hodeau, J.L.; Guinebretiere, R.

2007-01-01

In the 19th century, crystallography referred to the study of crystal shapes. A breakthrough appeared in 1912 with the use of X-rays by M. von Laue and W.H. and W.L. Bragg. This experimental development allowed the determination of the atomic content of each unit cell constituting the crystal and defined a crystal as ''any solid in which an atomic pattern is repeated periodically in three dimensions, that is, any solid that ''diffracts'' an incident X-ray beam''. Mathematical tools like the Patterson methods, the direct methods, were developed. Furthermore the development of new sources of neutrons, electrons and synchrotron X-rays allowed the studies of complex compounds like large macromolecules in biology. In our contribution we show by selected examples that these improvements were allowed (i) by the use of powerful sources, apparatus and detectors which allow micro-diffraction, in-situ diffraction, spectroscopy, resonant scattering, inelastic scattering, coherent scattering, (ii) by the development of methods like diffraction anomalous fine structure (DAFS), pair distribution function (PDF), simulated annealing, single object reconstruction, (iii) by combination of scattering and spectroscopy and by combination of scattering and microscopy. (orig.)

X-ray spectroscopy and X-ray crystallography of metalloenzymes at XFELs

International Nuclear Information System (INIS)

Yano, Junko

2016-01-01

The ultra-bright femtosecond X-ray pulses provided by X-ray Free Electron Lasers (XFELs) open capabilities for studying the structure and dynamics of a wide variety of biological and inorganic systems beyond what is possible at synchrotron sources. Although the structure and chemistry at the catalytic sites have been studied intensively in both biological and inorganic systems, a full understanding of the atomic-scale chemistry requires new approaches beyond the steady state X-ray crystallography and X-ray spectroscopy at cryogenic temperatures. Following the dynamic changes in the geometric and electronic structure at ambient conditions, while overcoming X-ray damage to the redox active catalytic center, is key for deriving reaction mechanisms. Such studies become possible by using the intense and ultra-short femtosecond X-ray pulses from an XFEL, where sample is probed before it is damaged. We have developed methodology for simultaneously collecting crystallography data and X-ray emission spectra, using an energy dispersive spectrometer at ambient conditions. In addition, we have developed a way to collect metal L-edge data of dilute samples using soft X-rays at XFELs. The advantages and challenges of these methods will be described in this review. (author)

Preliminary results of a test of a longitudinal phase-space monitor

International Nuclear Information System (INIS)

Kikutani, Eiji; Funakoshi, Yoshihiro; Kawamoto, Takashi; Mimashi, Toshihiro

1994-01-01

A prototype of a longitudinal phase-space monitor has been developed in TRISTAN Main Ring at KEK. The principle of the monitor and its basic components are explained. Also a result of a preliminary beam test is given. (author)

Preliminary Results on Asymptotic Stabilization of Hamiltonian Systems with Nonholonomic Constraints

NARCIS (Netherlands)

Khennouf, H.; Canudas de Wit, C.; Schaft, A.J. van der

1995-01-01

This paper presents some preliminary results on asymptotic stabilization of nonholonomic mechanical systems using the Hamiltonian formulation proposed previously. Our work seeks to establish a general formulation for designing time-varying controllers for some mechanical system described in the

Expression, purification, crystallization and preliminary crystallographic analysis of PA3885 (TpbA) from Pseudomonas aeruginosa PAO1

International Nuclear Information System (INIS)

Yang, Wen; Li, Kan; Bai, Yuwei; Zhou, Ruimin; Zhou, Weihong; Bartlam, Mark

2010-01-01

PA3885 (TpbA), a tyrosine phosphatase, may function as a balancing factor between biofilm formation and motility in the opportunistic pathogen P. aeruginosa. Here, the expression, purification, crystallization and preliminary crystallographic analysis of PA3885 from P. aeruginosa PAO1 are reported. Biofilms are important in cell communication and growth in most bacteria and are also responsible for most human clinical infections and diseases. Quorum-sensing systems have been identified to be crucial for biofilm formation and regulation. PA3885 (TpbA), a tyrosine phosphatase, is reported to convert extracellular quorum-sensing signals into internal gene-cascade reactions that result in reduced biofilm formation in the opportunistic pathogen Pseudomonas aeruginosa. Here, PA3885 from P. aeruginosa PAO1 was expressed, purified and crystallized. Single crystals were studied by X-ray crystallography and native diffraction data were collected to 2.8 Å resolution. These crystals were determined to belong to space group C2. It was not possible to conclusively determine the number of proteins in the asymmetric unit from the preliminary X-ray diffraction data analysis alone and attempts to determine the crystal structure of PA3885 are currently under way

Protein-detergent interactions in single crystals of membrane proteins studied by neutron crystallography

Energy Technology Data Exchange (ETDEWEB)

Timmins, P.A. [ILL, Grenoble (France); Pebay-Peyroula, E. [IBS-UJF Grenoble (France)

1994-12-31

The detergent micelles surrounding membrane protein molecules in single crystals can be investigated using neutron crystallography combined with H{sub 2}O/D{sub 2}O contrast variation. If the protein structure is known then the contrast variation method allows phases to be determined at a contrast where the detergent dominates the scattering. The application of various constraints allows the resulting scattering length density map to be realistically modeled. The method has been applied to two different forms of the membrane protein porin. In one case both hydrogenated and partially deuterated protein were used, allowing the head group and tail to be distinguished.

Protein-detergent interactions in single crystals of membrane proteins studied by neutron crystallography

International Nuclear Information System (INIS)

Timmins, P.A.; Pebay-Peyroula, E.

1994-01-01

The detergent micelles surrounding membrane protein molecules in single crystals can be investigated using neutron crystallography combined with H 2 O/D 2 O contrast variation. If the protein structure is known then the contrast variation method allows phases to be determined at a contrast where the detergent dominates the scattering. The application of various constraints allows the resulting scattering length density map to be realistically modeled. The method has been applied to two different forms of the membrane protein porin. In one case both hydrogenated and partially deuterated protein were used, allowing the head group and tail to be distinguished

Preliminary Results Of A 600 Joules Small Plasma Focus Device

International Nuclear Information System (INIS)

Lee, S. H.; Yap, S. L.; Wong, C. S.

2009-01-01

Preliminary results of a 600 J (3.7 μF, 18 kV) Mather type plasma focus device operated at low pressure will be presented. The discharge is formed between a solid anode with length of 6 cm and six symmetrically and coaxially arranged cathode rods of same lengths. The cathode base is profiled in a knife-edge design and a set of coaxial plasma gun are attached to it in order to initiate the breakdown and enhance the current sheath formation. The experiments have been performed in argon gas under a low pressure condition of several microbars. The discharge current and the voltage across the electrodes during the discharge are measured with high voltage probe and current coil. The current and voltage characteristics are used to determine the possible range of operating pressure that gives good focusing action. At a narrow pressure regime of 9.0±0.5 μbar, focusing action is observed with good reproducibility. Preliminary result of ion beam energy is presented. More work will be carried out to investigate the radiation output.

Structure study of the tri-continuous mesoporous silica IBN-9 by electron crystallography

KAUST Repository

Zhang, Daliang

2011-12-01

High resolution electron microscopy (HRTEM) has unique advantages for structural determination of nano-sized porous materials compared to X-ray diffraction, because it provides the important structure factor phase information which is lost in diffraction. Here we demonstrate the structure determination of the first tri-continuous mesoporous silica IBN-9 by electron crystallography. IBN-9 has a hexagonal unit cell with the space group P6 3/mcm and a = 88.4 , c = 84.3 . HRTEM images taken along three main directions, [0 0 1], [11̄0] and [1 0 0] were combined to reconstruct the 3D electrostatic potential map, from which the tri-continuous pore structure of IBN-9 was discovered. The different steps of structure determination of unknown mesoporous structures by electron crystallography are described in details. Similar procedures can also be applied for structure determination of other porous and nonporous crystalline materials. © 2011 Elsevier Inc. All rights reserved.

Application of the theory of martensite crystallography to displacive phase transformations in substitutional nonferrous alloys

International Nuclear Information System (INIS)

Muddle, B.C.; Nie, J.F.; Hugo, G.R.

1994-01-01

It has been demonstrated that the theory of martensite crystallography is capable of accounting successfully for the form and crystallography of a range of plate- or lath-shaped transformation products, even when the formation of the product phase involves significant substitutional diffusion. These transformations include the precipitation of metastable hexagonal γ' (Ag 2 Al) plates in disordered face-centered cubic (fcc) solid-solution Al-Ag alloys, the formation of ordered AuCu II plates from disordered fcc solid solution in equiatomic Au-Cu alloys, and the formation of metastable 9R α 1 plates in ordered (B2) Cu-Zn and Ag-Cd alloys. The application of the theory to these transformations is reviewed critically and the features common to them identified. It is confirmed that, in all three transformations, the product phase produces relief at a free surface consistent with an invariant plane-strain shape change and that the transformations are thus properly described as displacive. The agreement between experimental observations and theoretical predictions of the transformation crystallography is in all cases excellent. It is proposed that successful application of the theory implies a growth mechanism in which the coherent or semicoherent, planar interface between parent and product phases maintains its structural identity during migration and that growth proceeds atom by atom in a manner consistent with the maintenance of a correspondence of lattice sites

77 FR 72817 - Glycine From the People's Republic of China: Preliminary Results of Antidumping Duty...

Science.gov (United States)

2012-12-06

... Republic of China: Preliminary Results of Antidumping Duty Administrative Review and Preliminary Partial... conducting an administrative review of the antidumping duty order on glycine from the People's Republic of... covers one exporter of subject merchandise, Baoding Mantong Fine Chemistry Co. Ltd. (Baoding Mantong). We...

Structure of HIV-1 protease determined by neutron crystallography

International Nuclear Information System (INIS)

Adachi, Motoyasu; Kuroki, Ryota

2009-01-01

HIV-1 protease is an aspartic protease, and plays an essential role in replication of HIV. To develop HIV-1 protease inhibitors through structure-based drug design, it is necessary to understand the catalytic mechanism and inhibitor recognition of HIV-1 protease. We have determined the crystal structure of HIV-1 protease in complex with KNI-272 to 1.9 A resolution by neutron crystallography in combination with 1.4 A resolution X-ray diffraction data. The results show that the carbonyl group of hydroxymethylcarbonyl (HMC) in KNI-272 forms a hydrogen bonding interaction with protonated Asp 25 and the hydrogen atom from the hydroxyl group of HMC forms a hydrogen bonding interaction with the deprotonated Asp125. This is the first neutron report for HIV-1/inhibitor complex and shows directly the locations of key hydrogen atoms in catalysis and in the binding of a transition-state analog. The results confirm key aspect of the presumed catalytic mechanism of HIV-1 protease and will aid in the further development of protease inhibitors. (author)

Preliminary results of the round-robin testing of F82H

Energy Technology Data Exchange (ETDEWEB)

Shiba, K.; Yamanouchi, N.; Tohyama, A.

1996-10-01

Preliminary results of metallurgical, physical and mechanical properties of low activation ferritic steel F82H (IEA heat) were obtained in the round-robin test in Japan. The properties of IEA heat F82H were almost the same as the original F82H.

Celebrating macromolecular crystallography: A personal perspective

Directory of Open Access Journals (Sweden)

Abad-Zapatero, Celerino

2015-04-01

Full Text Available The twentieth century has seen an enormous advance in the knowledge of the atomic structures that surround us. The discovery of the first crystal structures of simple inorganic salts by the Braggs in 1914, using the diffraction of X-rays by crystals, provided the critical elements to unveil the atomic structure of matter. Subsequent developments in the field leading to macromolecular crystallography are presented with a personal perspective, related to the cultural milieu of Spain in the late 1950’s. The journey of discovery of the author, as he developed professionally, is interwoven with the expansion of macromolecular crystallography from the first proteins (myoglobin, hemoglobin to the ‘coming of age’ of the field in 1971 and the discoveries that followed, culminating in the determination of the structure of the ribosomes at the turn of the century. A perspective is presented exploring the future of the field and also a reflection about the future generations of Spanish scientists.El siglo XX ha sido testigo del increíble avance que ha experimentado el conocimiento de la estructura atómica de la materia que nos rodea. El descubrimiento de las primeras estructuras atómicas de sales inorgánicas por los Bragg en 1914, empleando difracción de rayos X con cristales, proporcionó los elementos clave para alcanzar tal conocimiento. Posteriores desarrollos en este campo, que condujeron a la cristalografía macromolecular, se presentan aquí desde una perspectiva personal, relacionada con el contexto cultural de la España de la década de los 50. La experiencia del descubrimiento científico, durante mi desarrollo profesional, se integra en el desarrollo de la cristalografía macromolecular, desde las primeras proteínas (míoglobina y hemoglobina, hasta su madurez en 1971 que, con los posteriores descubrimientos, culmina con la determinación del la estructura del ribosoma. Asimismo, se explora el futuro de esta disciplina y se

Radon concentrations in Norwegian kindergartens: survey planning and preliminary results

International Nuclear Information System (INIS)

Birovljev, A.; Strand, T.; Heiberg, A.

1998-01-01

An extensive radon survey in Norwegian kindergartens and schools was started in early 1997; so far 2481 kindergartens were examined. Preliminary results of the first phase of the survey are presented in tabular and graphic form including, among others, the dependence of average radon concentration on the construction year of the kindergartens and on the age of the buildings. (A.K.)

Present needs and future trends in neutron crystallography and spectroscopy

International Nuclear Information System (INIS)

Williams, J.M.

1978-11-01

Topics covered include: structural investigation by neutron and x-ray diffraction; sources and characteristics of neutron radiation; time-of-flight techniques; overview of neutron crystallography and structural chemistry; hydrogen bonds; transition-metal hydride complexes; actinide and lanthanide complexes; carbon-hydrogen-metal interactions in organometallic chemistry and catalysis; metal clusters and catalysis; materials with unusual solid-state properties; biochemical molecules and biological systems; electron and spin density distributions in crystalline solids; incoherent neutron-scattering spectroscopy; and quasielastic neutron scattering and high resolution spectroscopy

"XANSONS for COD": a new small BOINC project in crystallography

Science.gov (United States)

Neverov, Vladislav S.; Khrapov, Nikolay P.

2018-04-01

"XANSONS for COD" (http://xansons4cod.com) is a new BOINC project aimed at creating the open-access database of simulated x-ray and neutron powder diffraction patterns for nanocrystalline phase of materials from the collection of the Crystallography Open Database (COD). The project uses original open-source software XaNSoNS to simulate diffraction patterns on CPU and GPU. This paper describes the scientific problem this project solves, the project's internal structure, its operation principles and organization of the final database.

Vladimír Vand (1911-1968): Pioneer of computational methods in crystallography

Czech Academy of Sciences Publication Activity Database

Šolcová, A.; Křížek, Michal

2011-01-01

Roč. 33, č. 4 (2011), s. 38-44 ISSN 1058-6180 R&D Projects: GA AV ČR(CZ) IAA100190803 Institutional research plan: CEZ:AV0Z10190503 Keywords : history of computing * Vladimír Vand * crystallography Subject RIV: BA - General Mathematics Impact factor: 0.378, year: 2011 http://www.computer.org/portal/web/csdl/doi/10.1109/MAHC.2011.80

Application of electron crystallography to structure characterization of ZnS nanocrystals

Directory of Open Access Journals (Sweden)

Jin-Gyu Kim

2011-07-01

Full Text Available We chracterized the structure properties of two types of ZnS nanocrystals by electron crystallography. X-ray diffraction analysis for these ZnS nanocrystals was performed to determine their initial structures. Their crystallite sizes were about 5.9 nm and 8.1 nm and their crystal systems were hexagonal and cubic, respectively. Their atomic structures, however, could not be determined because of the weak diffraction intensities as well as the unexpected intensities from impurty. To overcome these problems, the structures of ZnS nanocrystals were resolved by electron crystallography using EF-EPD (energy-filtered electron powder diffraction and HRTEM (high resolution transmission electron microscopy methods. The structrues determined by Rietveld analysis are P63mc (a = 3.8452 Å, c = 18.5453 Å and F-43m (a = 5.4356 Å, respectively. Their crystallite shapes were nanorods and quasi-nanoparticles and the nanorod crystal were grown along the [001] direction. It was revealed that the phase transformation between the cubic sphalerite to the hexagonal wurtzite structure of ZnS nanocrytals was related to their shapes and growth mechanism. Electron cryststallogrpahy, employing EF-EPD and HRTEM methods together, has advantages for structure analysis and property chracterization of nano-sized materials.

Clustering procedures for the optimal selection of data sets from multiple crystals in macromolecular crystallography

International Nuclear Information System (INIS)

Foadi, James; Aller, Pierre; Alguel, Yilmaz; Cameron, Alex; Axford, Danny; Owen, Robin L.; Armour, Wes; Waterman, David G.; Iwata, So; Evans, Gwyndaf

2013-01-01

A systematic approach to the scaling and merging of data from multiple crystals in macromolecular crystallography is introduced and explained. The availability of intense microbeam macromolecular crystallography beamlines at third-generation synchrotron sources has enabled data collection and structure solution from microcrystals of <10 µm in size. The increased likelihood of severe radiation damage where microcrystals or particularly sensitive crystals are used forces crystallographers to acquire large numbers of data sets from many crystals of the same protein structure. The associated analysis and merging of multi-crystal data is currently a manual and time-consuming step. Here, a computer program, BLEND, that has been written to assist with and automate many of the steps in this process is described. It is demonstrated how BLEND has successfully been used in the solution of a novel membrane protein

Clustering procedures for the optimal selection of data sets from multiple crystals in macromolecular crystallography

Energy Technology Data Exchange (ETDEWEB)

Foadi, James [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom); Imperial College, London SW7 2AZ (United Kingdom); Aller, Pierre [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom); Alguel, Yilmaz; Cameron, Alex [Imperial College, London SW7 2AZ (United Kingdom); Axford, Danny; Owen, Robin L. [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom); Armour, Wes [Oxford e-Research Centre (OeRC), Keble Road, Oxford OX1 3QG (United Kingdom); Waterman, David G. [Research Complex at Harwell (RCaH), Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0FA (United Kingdom); Iwata, So [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom); Imperial College, London SW7 2AZ (United Kingdom); Evans, Gwyndaf, E-mail: gwyndaf.evans@diamond.ac.uk [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxfordshire OX11 0DE (United Kingdom)

2013-08-01

A systematic approach to the scaling and merging of data from multiple crystals in macromolecular crystallography is introduced and explained. The availability of intense microbeam macromolecular crystallography beamlines at third-generation synchrotron sources has enabled data collection and structure solution from microcrystals of <10 µm in size. The increased likelihood of severe radiation damage where microcrystals or particularly sensitive crystals are used forces crystallographers to acquire large numbers of data sets from many crystals of the same protein structure. The associated analysis and merging of multi-crystal data is currently a manual and time-consuming step. Here, a computer program, BLEND, that has been written to assist with and automate many of the steps in this process is described. It is demonstrated how BLEND has successfully been used in the solution of a novel membrane protein.

LEED crystallography studies of the structure of clean and adsorbate-covered Ir, Pt and Rh crystal surfaces

International Nuclear Information System (INIS)

Koestner, R.J.

1982-08-01

There have only been a few Low Energy Electron Diffraction (LEED) intensity analyses carried out to determine the structure of molecules adsorbed on metal surfaces; most surface crystallography studies concentrated on the structure of clean unreconstructed or atomic adsorbate-covered transition metal faces. The few molecular adsorption systems already investigated by dynamical LEED are CO on Ni(100), Cu(100) and Pd(100) as well as C 2 H 2 and C 2 H 4 adsorbed on Pt(111). The emphasis of this thesis research has been to extend the applicability of LEED crystallography to the more complicated unit cells found in molecular overlayers on transition metals or in there constructed surfaces of clean transition metals

The Southern HII Region Discovery Survey: Preliminary Results

Science.gov (United States)

Shea, Jeanine; Wenger, Trey; Balser, Dana S.; Anderson, Loren D.; Armentrout, William P.; Bania, Thomas M.; Dawson, Joanne; Miller Dickey, John; Jordan, Christopher; McClure-Griffiths, Naomi M.

2017-01-01

HII regions are some of the brightest sources at radio frequencies in the Milky Way and are the sites of massive O and B-type star formation. They have relatively short (Bank Telescope. Candidate HII regions were selected from mid-infrared emission coincident with radio continuum emission, and confirmed as HII regions by the detection of radio recombination lines. Here we discuss the Southern HII Region Discovery Survey (SHRDS), a continuation of the HRDS using the Australia Telescope Compact Array over the Galactic longitude range 230 to 360 degrees. We have reduced and analyzed a small sub-set of the SHRDS sources and discuss preliminary results, including kinematic distances and metallicities.

The crystallographic information file (CIF): A new standard archive file for crystallography

International Nuclear Information System (INIS)

Hall, S.R.; Allen, F.H.; Brown, I.D.

1991-01-01

The specification of a new standard Crystallographic Information File (CIF) is described. Its development is based on the Self-Defining Text Archieve and Retrieval (STAR) procedure. The CIF is a general, flexible and easily extensible free-format archive file; it is human and machine readable and can be edited by a simple editor. The CIF is designed for the electronic transmission of crystallographic data between individual laboratories, journals and databases: It has been adopted by the International Union of Crystallography as the recommended medium for this purpose. The file consists of data names and data items, together with a loop facility for repeated items. The data names, constructed hierarchically so as to form data categories, are self-descriptive within a 32-character limit. The sorted list of data names, together with their precise definitions, constitutes the CIF dictionary (core version 1991). The CIF core dictionary is presented in full and covers the fundamental and most commonly used data items relevant to crystal structure analysis. The dictionary is also available as an electronic file suitable for CIF computer applications. Future extensions to the dictionary will include data items used in more specialized areas of crystallography. (orig.)

Structural investigation of bistrifluron using x-ray crystallography, NMR spectroscopy, and molecular modeling

CERN Document Server

Moon, J K; Rhee, S K; Kim, G B; Yun, H S; Chung, B J; Lee, S S; Lim, Y H

2002-01-01

A new insecticide, bistrifluron acts as an inhibitor of insect development and interferes with the cuticle formation of insects. Since it shows low acute oral and dermal toxicities, it can be one of potent insecticides. Based on X-ray crystallography, NMR spectroscopy and molecular modeling, the structural studies of bistrifluron have been carried out.

A history of experimental phasing in macromolecular crystallography.

Science.gov (United States)

Isaacs, Neil

2016-03-01

It was just over a century ago that W. L. Bragg published a paper describing the first crystal structures to be determined using X-ray diffraction data. These structures were obtained from considerations of X-ray diffraction (Bragg equation), crystallography (crystal lattices and symmetry) and the scattering power of different atoms. Although W. H. Bragg proposed soon afterwards, in 1915, that the periodic electron density in crystals could be analysed using Fourier transforms, it took some decades before experimental phasing methods were developed. Many scientists contributed to this development and this paper presents the author's own perspective on this history. There will be other perspectives, so what follows is a history, rather than the history, of experimental phasing.

Structural elucidation of dendritic host-guest complexes by X-ray crystallography and molecular dynamics simulations

NARCIS (Netherlands)

Chang, T.; Pieterse, K.; Broeren, M.A.C.; Kooijman, H.; Spek, A.L.; Hilbers, P.A.J.; Meijer, E.W.

2007-01-01

The multiple monovalent binding of adamantyl-urea poly(propyleneimine) dendrimers with carboxylic acid-urea guests was investigated using molecular dynamics simulations and X-ray crystallography to better understand the structure and behavior of the dynamic multivalent complex in solution. The

Nb/NiCu bilayers in single and stacked superconductive tunnel junctions: preliminary results

International Nuclear Information System (INIS)

Pepe, G.P.; Ruotolo, A.; Parlato, L.; Peluso, G.; Ausanio, G.; Carapella, G.; Latempa, R.

2004-01-01

We present preliminary experimental results concerning both single and stacked tunnel junctions in which one of the electrodes was formed by a superconductor/ferromagnet (S/F) bi-layer. In particular, in the stacked configuration a Nb/NiCu bi-layer was used as the intermediate electrode, and it was probed by tunneling on both sides. Tunnel junctions have been characterized in terms of current-voltage characteristics (IVC), and differential conductance. Preliminary steady-state injection-detection measurements performed in the stacked devices at T=4.2 K are also presented and discussed

Long range radio tracking of sea turtles and polar bear: Instrumentation and preliminary results

Science.gov (United States)

Baldwin, H. A.

1972-01-01

Instrumentation developed for studies of path behavior of the green sea turtle and migration movement of polar bear is described. Preliminary results bearing on navigation ability in these species are presented. Both species operate in difficult environments, and the problems faced in the design of electronic instrumentation for these studies are not completely specified at this time. However, the critical factors yet to be understood are primarily related to the behavior of instrumented animals. The data obtained with these experimental techniques are included, first to illustrate the technique and, second to provide initial preliminary results bearing on animal navigation.

Sedimentation on the Valencia Continental Shelf: Preliminary results

Science.gov (United States)

Maldonado, Andres; Swift, Donald J. P.; Young, Robert A.; Han, Gregory; Nittrouer, Charles A.; DeMaster, David J.; Rey, Jorge; Palomo, Carlos; Acosta, Juan; Ballester, A.; Castellvi, J.

1983-10-01

Preliminary analysis of data collected during the course of a cooperative Spanish-United States investigation of the Valencia Shelf (western Mediterranean) reveals a storm-dominated, mud-accumulating sedimentary regime. Calcareous mud is accumulating seaward of a narrow band of shoreface sand and gravel. On the outer shelf the mud is enriched by a pelagic calcareous component. Preliminary 210Pb data from vertical profiles of box cores yield nominal accumulation rates from 2.6 mm y -1 near the Ebro Delta to 1.3 mm y -1 on the southern portion of the Valencia Shelf. Storm-current winnowing has resulted in the development of a biogenic lag sand over the mid-shelf mud in the northern part of the study area. Piston cores reveal a basal Holocene sand and gravel facies similar to that presently seen on the inner shelf. Upward-fining sequences on the central and outer shelf are inferred to result from the landward shift of lithotopes during the course of the Holocene transgression. These sequences are locally repeated, perhaps as the consequence of brief, local interludes of coastal progradation. Application of a diagnostic circulation model suggests that intense, downwelling coastal flows occur during winter northeastern storms. Storm activity has induced erosional shoreface retreat during the course of the Holocene transgression and has generated by this means the basal coarse facies observed in the piston cores. In the central part of the study area seaward of the Albufera Lagoon, the mud blanket thins to a layer several centimeters thick which is draped over a thickened (10 m) basal sand. The basal sand is molded into northwest trending ridges. The data are not sufficient to determine whether these are overstepped barriers, or submarine sand ridges formed by storm flows during the shoreface retreat process.

An acoustic on-chip goniometer for room temperature macromolecular crystallography.

Science.gov (United States)

Burton, C G; Axford, D; Edwards, A M J; Gildea, R J; Morris, R H; Newton, M I; Orville, A M; Prince, M; Topham, P D; Docker, P T

2017-12-05

This paper describes the design, development and successful use of an on-chip goniometer for room-temperature macromolecular crystallography via acoustically induced rotations. We present for the first time a low cost, rate-tunable, acoustic actuator for gradual in-fluid sample reorientation about varying axes and its utilisation for protein structure determination on a synchrotron beamline. The device enables the efficient collection of diffraction data via a rotation method from a sample within a surface confined droplet. This method facilitates efficient macromolecular structural data acquisition in fluid environments for dynamical studies.

National Data Center Preparedness Exercise 2015 (NPE 2015): MY-NDC Preliminary Analysis Result

International Nuclear Information System (INIS)

Faisal Izwan Abdul Rashid; Muhammed Zulfakar Zolkaffly

2016-01-01

Malaysia has established the CTBT National Data Centre (MY-NDC) in December 2005. MY-NDC is tasked to perform Comprehensive Nuclear-Test-Ban-Treaty (CTBT) data management as well as provide information for Treaty related events to Nuclear Malaysia as CTBT National Authority. In 2015, MY-NDC has participated in the National Data Centre Preparedness Exercise 2015 (NPE 2015). This paper aims at presenting MY-NDC preliminary analysis result of NPE 2015. In NPE 2015, MY-NDC has performed five different analyses, namely, radionuclide, atmospheric transport modelling (ATM), data fusion, seismic analysis and site forensics. The preliminary findings show the hypothetical scenario in NPE 2015 most probably is an uncontained event resulted high release of radionuclide to the air. (author)

LEED crystallography studies of the structure of clean and adsorbate-covered Ir, Pt and Rh crystal surfaces

Energy Technology Data Exchange (ETDEWEB)

Koestner, R.J.

1982-08-01

There have only been a few Low Energy Electron Diffraction (LEED) intensity analyses carried out to determine the structure of molecules adsorbed on metal surfaces; most surface crystallography studies concentrated on the structure of clean unreconstructed or atomic adsorbate-covered transition metal faces. The few molecular adsorption systems already investigated by dynamical LEED are CO on Ni(100), Cu(100) and Pd(100) as well as C/sub 2/H/sub 2/ and C/sub 2/H/sub 4/ adsorbed on Pt(111). The emphasis of this thesis research has been to extend the applicability of LEED crystallography to the more complicated unit cells found in molecular overlayers on transition metals or in there constructed surfaces of clean transition metals.

The development of structural x-ray crystallography

Science.gov (United States)

Woolfson, M. M.

2018-03-01

From its birth in 1912, when only the simplest structures could be solved, x-ray structural crystallography is now able to solve macromolecular structures containing many thousands of independent non-hydrogen atoms. This progress has depended on, and been driven by, great technical advances in the development of powerful synchrotron x-ray sources, advanced automated equipment for the collection and storage of large data sets and powerful computers to deal with everything from data processing to running programmes employing complex algorithms for the automatic solution of structures. The sheer number of developments in the subject over the past century makes it impossible for this review to be exhaustive, but it will describe some major developments that will enable the reader to understand how the subject has grown from its humble beginnings to what it is today.

Preliminary Results Of LOCA Problem For APR1400 Reactor

International Nuclear Information System (INIS)

Le Dai Dien; Hoang Minh Giang; Le Thi Thu; Vo Thi Huong; Le Van Hong

2011-01-01

Several features of NPP with APR1400 nuclear reactor during a loss of coolant accident (LOCA) are investigated in this study. The report describes some main design characteristics of an engineering safety systems of APR1400 and the thermal hydraulic calculation results for steady-state using MARS and RELAP/SCDAPSIM codes. Large Break LOCA accident has been analyzed and evaluated based on acceptable criteria for ECCS given by US NRC. The results from cold leg break LOCA with broken area of 0.0465 m 2 in case of high pressure safety injection system (HPSI) failed to operate or 2 and 4 HPSI pumps are activated. The preliminary results of this work is a part of collaboration between INST researchers and KAERI experts in using RELAP tool for safety analysis of NPPs. (author)

Radiolabelling of RC-160: preliminary results

International Nuclear Information System (INIS)

Verdera, E.S.; Balter Binsky, H.S.; Robles, A.M.; Rodriguez, G.; Souto, B.; Laiz, J.; Oliver, P.; Leon, E.

1998-01-01

Vapreotide (RC-160) was labelled with 125 I using Chloramine-T and Iodogen methods and with 99m Tc by a direct method with sodium ditionite as reducing agent in the presence of ascorbic acid. Several methods of purification and quality control were evaluated. Yields of the reactions and of purification steps were calculated. The results obtained for the radioiodination reactions showed higher yields when limiting Chloramine-T method was used. Labelling of RC-160 with 99m Tc indicated better yields when high radioactivity concentration of the radionuclide was used. Stability of the products obtained was assessed at different post-labelling times by selected quality control methods: Sep-Pak cartridge as purification method and chromatography by RP-HPLC and ITLC-SG using saline solution as solvent. It was demonstrated that I-125-RC-160 and Tc-99m-RC-160 were stable during five weeks (at -20 deg. C) and 6 hours (at room temperature) respectively. Preliminary biodistribution of Tc-99m-RC-160 in normal rats and mice were done showing different biological behaviour compared with control animals injected with pertechnetate. In conclusion, RC-160 was successfully labelled with both radionuclides, with radiochemical purity higher than 95%. These results encourage further research work in animal models as well as to investigate the biochemical behaviour of radiolabelled peptide. (author)

Crystallography of lath martensite and stabilization of retained austenite

International Nuclear Information System (INIS)

Sarikaya, M.

1982-10-01

TEM was used to study the morphology and crystallography of lath martensite in low and medium carbon steels in the as-quenched and 200 0 C tempered conditions. The steels have microduplex structures of dislocated lath martensite and continuous thin films of retained austenite at the lath interfaces. Stacks of laths form the packets which are derived from different [111] variants of the same austenite grain. The residual parent austenite enables microdiffraction experiments with small electron beam spot sizes for the orientation relationships (OR) between austenite and martensite. All three most commonly observed ORs, namely Kurdjumov-Sachs, Nishiyama-Wassermann, and Greninger-Troiano, operate within the same sample

Crystallography of lath martensite and stabilization of retained austenite

Energy Technology Data Exchange (ETDEWEB)

Sarikaya. M.

1982-10-01

TEM was used to study the morphology and crystallography of lath martensite in low and medium carbon steels in the as-quenched and 200/sup 0/C tempered conditions. The steels have microduplex structures of dislocated lath martensite and continuous thin films of retained austenite at the lath interfaces. Stacks of laths form the packets which are derived from different (111) variants of the same austenite grain. The residual parent austenite enables microdiffraction experiments with small electron beam spot sizes for the orientation relationships (OR) between austenite and martensite. All three most commonly observed ORs, namely Kurdjumov-Sachs, Nishiyama-Wassermann, and Greninger-Troiano, operate within the same sample.

The Majorana Demonstrator Status and Preliminary Results

Science.gov (United States)

Yu, C.-H.; Alvis, S. I.; Arnquist, I. J.; Avignone, F. T.; Barabash, A. S.; Barton, C. J.; Bertrand, F. E.; Bode, T.; Brudanin, V.; Busch, M.; Buuck, M.; Caldwell, T. S.; Chan, Y.-D.; Christofferson, C. D.; Chu, P.-H.; Cuesta, C.; Detwiler, J. A.; Dunagan, C.; Efremenko, Yu; Ejiri, H.; Elliott, S. R.; Gilliss, T.; Giovanetti, G. K.; Green, M.; Gruszko, J.; Guinn, I. S.; Guiseppe, V. E.; Haufe, C. R.; Hehn, L.; Henning, R.; Hoppe, E. W.; Howe, M. A.; Keeter, K. J.; Kidd, M. F.; Konovalov, S. I.; Kouzes, R. T.; Lopez, A. M.; Martin, R. D.; Massarczyk, R.; Meijer, S. J.; Mertens, S.; Myslik, J.; Othman, G.; Pettus, W.; Poon, A. W. P.; Radford, D. C.; Rager, J.; Reine, A. L.; Rielage, K.; Ruof, N. W.; Shanks, B.; Shirchenko, M.; Suriano, A. M.; Tedeschi, D.; Varner, R. L.; Vasilyev, S.; Vetter, K.; Vorren, K.; White, B. R.; Wilkerson, J. F.; Wiseman, C.; Xu, W.; Yakushev, E.; Yumatov, V.; Zhitnikov, I.; Zhu, B. Z.

2018-05-01

The MAJORANA Collaboration is using an array of high-purity Ge detectors to search for neutrinoless double-beta decay in 76Ge. Searches for neutrinoless double-beta decay are understood to be the only viable experimental method for testing the Majorana nature of the neutrino. Observation of this decay would imply violation of lepton number, that neutrinos are Majorana in nature, and provide information on the neutrino mass. The MAJORANA DEMONSTRATOR comprises 44.1 kg of p-type point-contact Ge detectors (29.7 kg enriched in 76Ge) surrounded by a low-background shield system. The experiment achieved a high efficiency of converting raw Ge material to detectors and an unprecedented detector energy resolution of 2.5 keV FWHM at Qββ. The MAJORANA collaboration began taking physics data in 2016. This paper summarizes key construction aspects of the Demonstrator and shows preliminary results from initial data.

Barkhausen Effect and Acoustic Emission in a Metallic Glass - Preliminary Results

International Nuclear Information System (INIS)

Lopez Sanchez, R.; Lopez Pumarega, M.I.; Armeite, M.; Piotrkowski, R.; Ruzzante, J.E.

2004-01-01

Magneto Acoustic Emission, which is Barkhausen Noise (BN) and Acoustic Emission (AE), depends on microstructure and existing residual stresses in magnetic materials. Preliminary results obtained by magnetization along two perpendicular directions on a metal glass foil are presented. Signals were analyzed with Statistic, Fast Fourier and Wavelet methods. Results are part of a Joint Research Project of the Faculty of Science, Cantabria University, Spain, and the Elastic Waves Group of the National Atomic Energy Commission, Argentina

Modelled and Observed Diurnal SST Signals: "SSTDV:R.EX.-IM.A.M." Project Preliminary Results

DEFF Research Database (Denmark)

Karagali, Ioanna; Høyer, Jacob; LeBorgne, Pierre

2013-01-01

This study presents some of the preliminary results from the ESA Support To Science Element (STSE) funded project on the Diurnal Variability of the Sea Surface Temperature, regarding its Regional Extend and Implications in Atmospheric Modelling (SSTDV:R.EX.–IM.A.M.). During this phase of the proj......This study presents some of the preliminary results from the ESA Support To Science Element (STSE) funded project on the Diurnal Variability of the Sea Surface Temperature, regarding its Regional Extend and Implications in Atmospheric Modelling (SSTDV:R.EX.–IM.A.M.). During this phase...

Preliminary results of the Spacelab 2 superfluid helium experiment

International Nuclear Information System (INIS)

Mason, P.V.; Collins, D.J.; Elleman, D.D.; Jackson, H.W.; Wang, T.

1986-01-01

An experiment to investigate the properties of superfluid helium in a microgravity environment flew on the Shuttle on the Spacelab 2 mission in July and August of 1985. This paper summarizes the flight experiment and describes some preliminary results. The experiment comprised an investigation of long-wavelength third-sound waves in micron-thick films, a study of the motions of superfluid helium under milli-g and micro-g accelerations, and measurements of the fluctuations in temperature associated with the small motions of the bulk helium. An additional objective was to qualify and characterize a reflyable, space-compatible cryostat

Preliminary results of natural radioactivity measurements in the southern part of Ethiopia

International Nuclear Information System (INIS)

Wollel Tiruneh, Getachew; Wodaje Kebede, Worku

2008-01-01

The paper presents the first results of natural radioactivity measurements in the Southern part of Ethiopia (Bale Zone-Oromiya Regional State). The preliminary results indicate that radiation levels in the mining areas of Kallido Mountain are elevated compared with those in the town of Negele Borena (background area). Both external gamma radiation and alpha surface contamination levels are significantly elevated above local background levels

Preliminary results of natural radioactivity measurements in the southern part of Ethiopia

Energy Technology Data Exchange (ETDEWEB)

Wollel Tiruneh, Getachew [Ethiopian Radiation Protection Authority, PO Box 20486 code 1000, Addis-Ababa (Ethiopia)], E-mail: gwollel@yahoo.com; Wodaje Kebede, Worku [Ethiopian Radiation Protection Authority, PO Box 20486 code 1000, Addis-Ababa (Ethiopia)

2008-11-15

The paper presents the first results of natural radioactivity measurements in the Southern part of Ethiopia (Bale Zone-Oromiya Regional State). The preliminary results indicate that radiation levels in the mining areas of Kallido Mountain are elevated compared with those in the town of Negele Borena (background area). Both external gamma radiation and alpha surface contamination levels are significantly elevated above local background levels.

Magnetic resonance imaging of the brain in neonates. Preliminary results

International Nuclear Information System (INIS)

Dumoulin, M.; Legrand, M.; Gremillet, C.; Lecouffe, P.; Rousseau, J.; Pruvo, J.P.; Marchandise, X.

1991-01-01

The place of neonatal cerebral MRI and its specific contribution compared with conventional imaging techniques were evaluated in 36 patients. The difficulties specific to the patient population studied met during this preliminary period are described, with their local solutions. A preliminary evaluation of the diagnostic and prognostic value of MRI according to the disease state and gestational age is presented. The specific contribution of MRI compared with transfontanellar ultrasonography and CT scan is discussed [fr

Macromolecular crystallography with a large format CMOS detector

Energy Technology Data Exchange (ETDEWEB)

Nix, Jay C., E-mail: jcnix@lbl.gov [Molecular Biology Consortium 12003 S. Pulaski Rd. #166 Alsip, IL 60803 U.S.A (United States)

2016-07-27

Recent advances in CMOS technology have allowed the production of large surface area detectors suitable for macromolecular crystallography experiments [1]. The Molecular Biology Consortium (MBC) Beamline 4.2.2 at the Advanced Light Source in Berkeley, CA, has installed a 2952 x 2820 mm RDI CMOS-8M detector with funds from NIH grant S10OD012073. The detector has a 20nsec dead pixel time and performs well with shutterless data collection strategies. The sensor obtains sharp point response and minimal optical distortion by use of a thin fiber-optic plate between the phosphor and sensor module. Shutterless data collections produce high-quality redundant datasets that can be obtained in minutes. The fine-sliced data are suitable for processing in standard crystallographic software packages (XDS, HKL2000, D*TREK, MOSFLM). Faster collection times relative to the previous CCD detector have resulted in a record number of datasets collected in a calendar year and de novo phasing experiments have resulted in publications in both Science and Nature [2,3]. The faster collections are due to a combination of the decreased overhead requirements of shutterless collections combined with exposure times that have decreased by over a factor of 2 for images with comparable signal to noise of the NOIR-1 detector. The overall increased productivity has allowed the development of new beamline capabilities and data collection strategies.

Investigation of polarized-proton target materials by differential calorimetry: preliminary results

International Nuclear Information System (INIS)

Hill, D.A.; Hill, J.J.

1980-01-01

A simple differential calorimeter was designed and operated for an investigation of the thermodynamic properties of polarized target materials. The calibration and use of the calorimeter are discussed, after a brief exposition of our motivation for this work. The results of a preliminary study of target materials is presented with emphasis on the relevance of the glass state to dynamic polarization in chemically-doped targets

Response of lead-acid batteries to chopper-controlled discharge: Preliminary results

Science.gov (United States)

Cataldo, R. L.

1978-01-01

The preliminary results of simulated electric vehicle, chopper, speed controller discharge of a battery show energy output losses up to 25 percent compared to constant current discharges at the same average discharge current of 100 amperes. These energy losses are manifested as temperature rises during discharge, amounting to a two-fold increase for a 400-ampere pulse compared to the constant current case. Because of the potentially large energy inefficiency, the results suggest that electric vehicle battery/speed controller interaction must be carefully considered in vehicle design.

Preliminary results of spatially resolved ECR ion beam profile investigations

International Nuclear Information System (INIS)

Panitzsch, L.; Stalder, M.; Wimmer-Schweingruber, R.F.

2012-01-01

The profile of an ion beam produced in an Electron Cyclotron Resonance Ion Source (ECRIS) can vary greatly depending on the source settings and the ion-optical tuning. Strongly focussed ion beams form circular structures (hollow beams) as predicted by simulations and observed in experiments. Each of the rings is predicted to be dominated by ions with same or at least similar m/q-ratios due to ion-optical effects. To check this we performed a series of preliminary investigations to test the required tuning capabilities of our ion source. This includes beam focussing (A) and beam steering (B) using a 3D-movable extraction. Having tuned the source to deliver a beam of strongly focussed ions of different ion species and having steered this beam to match the transmittance area of the sector magnet we also recorded the ion charge state distribution of the strongly focussed beam profile at different, spatially limited positions (C). The preliminary results will be introduced within this paper: it appears that our 3D-movable extraction is very efficient to steer and to focus the beam strongly. The paper is followed by the slides of the presentation. (authors)

Preliminary Results of the CASCADE Hidden Sector Photon Search

CERN Document Server

Woollett, Nathan; Burt, Graeme; Chattopadhyay, Swapan; Dainton, John; Dexter, Amos; Goudket, Phillipe; Jenkins, Michael; Kalliokoski, Matti; Moss, Andrew; Pattalwar, Shrikant; Thakker, Trina; Williams, Peter

2015-01-01

Light shining through a wall experiments can be used to make measurements of photon-WISP couplings. The first stage of the CASCADE experiment at the Cockcroft Institute of Accelerator Science and Technology is intended to be a proof-of-principle experiment utilising standard microwave technologies to make a modular, cryogenic HSP detector to take advantage of future high-power superconducting cavity tests. In these proceedings we will be presenting the preliminary results of the CASCADE LSW experiment showing a peak expected exclusion of $1.10 \\times 10^{-8}$ in the mass range from 1.96$\\mu$eV to 5.38$\\mu$eV, exceeding current limits.

V and V Efforts of Auroral Precipitation Models: Preliminary Results

Science.gov (United States)

Zheng, Yihua; Kuznetsova, Masha; Rastaetter, Lutz; Hesse, Michael

2011-01-01

Auroral precipitation models have been valuable both in terms of space weather applications and space science research. Yet very limited testing has been performed regarding model performance. A variety of auroral models are available, including empirical models that are parameterized by geomagnetic indices or upstream solar wind conditions, now casting models that are based on satellite observations, or those derived from physics-based, coupled global models. In this presentation, we will show our preliminary results regarding V&V efforts of some of the models.

Ambient Assisted Living and ageing: preliminary results of RITA project.

Science.gov (United States)

Aquilano, Michela; Cavallo, Filippo; Bonaccorsi, Manuele; Esposito, Raffaele; Rovini, Erika; Filippi, Massimo; Esposito, Dario; Dario, Paolo; Carrozza, Maria Chiara

2012-01-01

The ageing of population is a social phenomenon that most of worldwide countries are facing. They are, and will be even more in the future, indeed trying to find solutions for improving quality of life of their elderly citizens. The project RITA wants to demonstrate that an update of the current socio-medical services with an Ambient Assisted Living (AAL) approach could improve the service efficiency and the quality of life of both elderly and caregiver. This paper presents the preliminary results obtained in RITA.

A decade of user operation on the macromolecular crystallography MAD beamline ID14-4 at the ESRF

International Nuclear Information System (INIS)

McCarthy, Andrew A.; Brockhauser, Sandor; Nurizzo, Didier; Theveneau, Pascal; Mairs, Trevor; Spruce, Darren; Guijarro, Matias; Lesourd, Marc; Ravelli, Raimond B. G.; McSweeney, Sean

2009-01-01

The improvement of the X-ray beam quality achieved on ID14-4 by the installation of new X-ray optical elements is described. ID14-4 at the ESRF is the first tunable undulator-based macromolecular crystallography beamline that can celebrate a decade of user service. During this time ID14-4 has not only been instrumental in the determination of the structures of biologically important molecules but has also contributed significantly to the development of various instruments, novel data collection schemes and pioneering radiation damage studies on biological samples. Here, the evolution of ID14-4 over the last decade is presented, and some of the major improvements that were carried out in order to maintain its status as one of the most productive macromolecular crystallography beamlines are highlighted. The experimental hutch has been upgraded to accommodate a high-precision diffractometer, a sample changer and a large CCD detector. More recently, the optical hutch has been refurbished in order to improve the X-ray beam quality on ID14-4 and to incorporate the most modern and robust optical elements used at other ESRF beamlines. These new optical elements will be described and their effect on beam stability discussed. These studies may be useful in the design, construction and maintenance of future X-ray beamlines for macromolecular crystallography and indeed other applications, such as those planned for the ESRF upgrade

Time-resolved protein nano-crystallography using an X-ray free-electron laser

International Nuclear Information System (INIS)

Aquila, Andrew; Hunter, Mark S.; Fromme, Petra; Fromme, Raimund; Grotjohann, Ingo; Doak, R. Bruce; Kirian, Richard A.; Schmidt, Kevin E.; Wang, Xiaoyu; Weierstall, Uwe; Spence, John C.H.; White, Thomas A.; Caleman, Carl; DePonte, Daniel P.; Fleckenstein, Holger; Gumprecht, Lars; Liang, Mengning; Martin, Andrew V.; Schulz, Joachim; Stellato, Francesco; Stern, Stephan; Barty, Anton; Andreasson, Jakob; Davidsson, Jan; Hajdu, Janos; Maia, Filipe R.N.C.; Seibert, M. Marvin; Timneanu, Nicusor; Arnlund, David; Johansson, Linda; Malmerberg, Erik; Neutze, Richard; Bajt, Sasa; Barthelmess, Miriam; Graafsma, Heinz; Hirsemann, Helmut; Wunderer, Cornelia; Barends, Thomas R.M.; Foucar, Lutz; Krasniqi, Faton; Lomb, Lukas; Rolles, Daniel; Schlichting, Ilme; Schmidt, Carlo; Bogan, Michael J.; Hampton, Christina Y.; Sierra, Raymond; Starodub, Dmitri; Bostedt, Christoph; Bozek, John D.; Messerschmidt, Marc; Williams, Garth J.; Bottin, Herve

2012-01-01

We demonstrate the use of an X-ray free electron laser synchronized with an optical pump laser to obtain X-ray diffraction snapshots from the photo-activated states of large membrane protein complexes in the form of nano-crystals flowing in a liquid jet. Light-induced changes of Photosystem I-Ferredoxin co-crystals were observed at time delays of 5 to 10 μs after excitation. The result correlates with the microsecond kinetics of electron transfer from Photosystem I to ferredoxin. The undocking process that follows the electron transfer leads to large rearrangements in the crystals that will terminally lead to the disintegration of the crystals. We describe the experimental setup and obtain the first time resolved femtosecond serial X-ray crystallography results from an irreversible photo-chemical reaction at the Linac Coherent Light Source. This technique opens the door to time-resolved structural studies of reaction dynamics in biological systems. (authors)

Polycapillary x-ray optics for macromolecular crystallography

International Nuclear Information System (INIS)

Owens, S.M.; Gibson, W.M.; Carter, D.C.; Sisk, R.C.; Ho, J.X.

1996-01-01

Polycapillary x-ray optics have found potential application in many different fields, including antiscatter and magnification in mammography, radiography, x-ray fluorescence, x-ray lithography, and x-ray diffraction techniques. In x-ray diffraction, an optic is used to collect divergent x-rays from a point source and redirect them into a quasi-parallel, or slightly focused beam. Monolithic polycapillary optics have been developed recently for macromolecular crystallography and have already shown considerable gains in diffracted beam intensity over pinhole collimation. Development is being pursued through a series of simulations and prototype optics. Many improvements have been made over the stage 1 prototype reported previously, which include better control over the manufacturing process, reducing the diameter of the output beam, and addition of a slight focusing at the output of the optic to further increase x-ray flux at the sample. The authors report the characteristics and performance of the stage 1 and stage 2 optics

Accounting for partiality in serial crystallography using ray-tracing principles.

Science.gov (United States)

Kroon-Batenburg, Loes M J; Schreurs, Antoine M M; Ravelli, Raimond B G; Gros, Piet

2015-09-01

Serial crystallography generates `still' diffraction data sets that are composed of single diffraction images obtained from a large number of crystals arbitrarily oriented in the X-ray beam. Estimation of the reflection partialities, which accounts for the expected observed fractions of diffraction intensities, has so far been problematic. In this paper, a method is derived for modelling the partialities by making use of the ray-tracing diffraction-integration method EVAL. The method estimates partialities based on crystal mosaicity, beam divergence, wavelength dispersion, crystal size and the interference function, accounting for crystallite size. It is shown that modelling of each reflection by a distribution of interference-function weighted rays yields a `still' Lorentz factor. Still data are compared with a conventional rotation data set collected from a single lysozyme crystal. Overall, the presented still integration method improves the data quality markedly. The R factor of the still data compared with the rotation data decreases from 26% using a Monte Carlo approach to 12% after applying the Lorentz correction, to 5.3% when estimating partialities by EVAL and finally to 4.7% after post-refinement. The merging R(int) factor of the still data improves from 105 to 56% but remains high. This suggests that the accuracy of the model parameters could be further improved. However, with a multiplicity of around 40 and an R(int) of ∼50% the merged still data approximate the quality of the rotation data. The presented integration method suitably accounts for the partiality of the observed intensities in still diffraction data, which is a critical step to improve data quality in serial crystallography.

DECOMPOSITION OF TARS IN MICROWAVE PLASMA – PRELIMINARY RESULTS

Directory of Open Access Journals (Sweden)

Mateusz Wnukowski

2014-07-01

Full Text Available The paper refers to the main problem connected with biomass gasification - a presence of tar in a product gas. This paper presents preliminary results of tar decomposition in a microwave plasma reactor. It gives a basic insight into the construction and work of the plasma reactor. During the experiment, researches were carried out on toluene as a tar surrogate. As a carrier gas for toluene and as a plasma agent, nitrogen was used. Flow rates of the gases and the microwave generator’s power were constant during the whole experiment. Results of the experiment showed that the decomposition process of toluene was effective because the decomposition efficiency attained above 95%. The main products of tar decomposition were light hydrocarbons and soot. The article also gives plans for further research in a matter of tar removal from the product gas.

Time-lapse crystallography snapshots of a double-strand break repair polymerase in action.

Science.gov (United States)

Jamsen, Joonas A; Beard, William A; Pedersen, Lars C; Shock, David D; Moon, Andrea F; Krahn, Juno M; Bebenek, Katarzyna; Kunkel, Thomas A; Wilson, Samuel H

2017-08-15

DNA polymerase (pol) μ is a DNA-dependent polymerase that incorporates nucleotides during gap-filling synthesis in the non-homologous end-joining pathway of double-strand break repair. Here we report time-lapse X-ray crystallography snapshots of catalytic events during gap-filling DNA synthesis by pol μ. Unique catalytic intermediates and active site conformational changes that underlie catalysis are uncovered, and a transient third (product) metal ion is observed in the product state. The product manganese coordinates phosphate oxygens of the inserted nucleotide and PP i . The product metal is not observed during DNA synthesis in the presence of magnesium. Kinetic analyses indicate that manganese increases the rate constant for deoxynucleoside 5'-triphosphate insertion compared to magnesium. The likely product stabilization role of the manganese product metal in pol μ is discussed. These observations provide insight on structural attributes of this X-family double-strand break repair polymerase that impact its biological function in genome maintenance.DNA polymerase (pol) μ functions in DNA double-strand break repair. Here the authors use time-lapse X-ray crystallography to capture the states of pol µ during the conversion from pre-catalytic to product complex and observe a third transiently bound metal ion in the product state.

Preliminary results of the alpha particle registration intercomparison ALRIT

International Nuclear Information System (INIS)

Paretzke, H.G.

1976-01-01

In view of the widespread interest in alpha particle registration with solid state nuclear track detectors, an international intercomparison of such measurements has been arranged. Sixteen sets of fourteen detectors each were sent to GSF-Neuherberg, there irradiated carefully with different alpha particle fields, and then returned for evaluation. Fourteen irradiation runs were made for each set simulating seven different irradiation situations commonly encountered in practical applications. The preliminary results of this intercomparison reported in this paper are based on the results of eight sets. They show good agreement with respect to the determination of track densities in the case of vertical incident alpha particles. Also the results obtained for determination of particle energies and angle of incidence in most cases were rather accurate. However, apparently it is still rather difficult to determine accurately and precisely the specific activity of alpha emitters on a thick filter positioned at some distance, i.e. for the case of 2π-incidence and a broad energy spectrum. (orig.) [de

Racemic & quasi-racemic protein crystallography enabled by chemical protein synthesis.

Science.gov (United States)

Kent, Stephen Bh

2018-04-04

A racemic protein mixture can be used to form centrosymmetric crystals for structure determination by X-ray diffraction. Both the unnatural d-protein and the corresponding natural l-protein are made by total chemical synthesis based on native chemical ligation-chemoselective condensation of unprotected synthetic peptide segments. Racemic protein crystallography is important for structure determination of the many natural protein molecules that are refractory to crystallization. Racemic mixtures facilitate the crystallization of recalcitrant proteins, and give diffraction-quality crystals. Quasi-racemic crystallization, using a single d-protein molecule, can facilitate the determination of the structures of a series of l-protein analog molecules. Copyright © 2018 Elsevier Ltd. All rights reserved.

The demand factors for cesareans in Portugal – some preliminary results

OpenAIRE

Tavares, Aida Isabel; Rocha, Tania

2012-01-01

The aim of this work is to determine the demand factors for cesareans in Portugal. This work is exploratory and preliminary. Data is aggregated in NUTSII , for the period 2002-10. The number of cesareans performed is count data which requires the estimation of this panel data by a negative binomial with fixed effects. The main result is the evidence that there may be induced demand for cesareans in Portugal. Further research is needed.

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

International Nuclear Information System (INIS)

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

2004-01-01

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

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

Science.gov (United States)

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

2004-11-01

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

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

Energy Technology Data Exchange (ETDEWEB)

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

2004-08-01

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

Preliminary results on the Arecibo Pisces-Perseus Supercluster Survey

Science.gov (United States)

Cortes, Rosemary; Lebron, Mayra; Jones, Michael G.; Koopmann, Rebecca A.; Haynes, Martha P.; APPSS Team, Undergraduate ALFALFA Team, and the ALFALFA Team

2018-01-01

The Arecibo Pisces-Perseus Supercluster Survey (APPSS) aims to exploit the Baryonic Tully-Fisher Relation to derive distances and peculiar velocities of galaxies in and near the main ridge of the Pisces-Perseus Supercluster (PPS), one of the most prominent features of the Cosmic Web in the nearby Universe. The sample of galaxies contains ~ 600 sources in the low-mass range (8 Team institutions in which each group contributes to the analysis of a subset of the HI PPS data. In this poster, we will present the contributions of the U.P.R. team to the APPSS project. We will show the procedure used for the Arecibo HI data analysis, including some examples, and will show our preliminary results.

Preliminary results of MR imaging of lymphoma: Distinguishing active tumor from benign residue

International Nuclear Information System (INIS)

Drace, J.; Baker, L.L.; Chang, P.; Castellino, R.A.

1987-01-01

Distinguishing tumor from benign posttreatment tissue based on both morphologic and tissue characteristics is critically important. Patients are studied before, during, and after treatment; at the time of recurrence; and on long-term follow-up. Multisection spin-echo sequences in orthogonal planes and a special single-section tissue characterization matrix of 16 different repetition time/echo time combinations are used. These basic images are used for cluster analysis (approximate fuzzy C means), T1-T2 synthetic images, linear combinations, and comparison with internal standards. Preliminary results in 35 patients imaged before treatment and 12 patients with follow-up examinations consistently show lymphoma masses to have complex architecture with high T2-weighted signal and moderate T1-weighted signal, distinct from posttreatment fibrosis. Uncommon components of active tumor with low T2-weighted signal appear distinct from fibrosis on T1-weighted images. Preliminary cluster analysis results show distinct clustering of active lymphoma versus fibrosis and biopsy-proved cystic degeneration

Synthesis, X-ray crystallography, spectroscopy, electrochemistry, thermal and kinetic study of uranyl Schiff base complexes

Czech Academy of Sciences Publication Activity Database

Asadi, Z.; Golzard, F.; Eigner, Václav; Dušek, Michal

2013-01-01

Roč. 66, č. 20 (2013), s. 3629-3646 ISSN 0095-8972 R&D Projects: GA ČR(CZ) GAP204/11/0809 Institutional support: RVO:68378271 Keywords : X-ray crystallography * uranyl Schiff base complex * kinetics of thermal decomposition * cyclic voltammetry * kinetics and mechanism Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.224, year: 2013

Progress in rational methods of cryoprotection in macromolecular crystallography

International Nuclear Information System (INIS)

Alcorn, Thomas; Juers, Douglas H.

2010-01-01

Measurements of the average thermal contractions (294→72 K) of 26 different cryosolutions are presented and discussed in conjunction with other recent advances in the rational design of protocols for cryogenic cooling in macromolecular crystallography. Cryogenic cooling of macromolecular crystals is commonly used for X-ray data collection both to reduce crystal damage from radiation and to gather functional information by cryogenically trapping intermediates. However, the cooling process can damage the crystals. Limiting cooling-induced crystal damage often requires cryoprotection strategies, which can involve substantial screening of solution conditions and cooling protocols. Here, recent developments directed towards rational methods for cryoprotection are described. Crystal damage is described in the context of the temperature response of the crystal as a thermodynamic system. As such, the internal and external parts of the crystal typically have different cryoprotection requirements. A key physical parameter, the thermal contraction, of 26 different cryoprotective solutions was measured between 294 and 72 K. The range of contractions was 2–13%, with the more polar cryosolutions contracting less. The potential uses of these results in the development of cryocooling conditions, as well as recent developments in determining minimum cryosolution soaking times, are discussed

Dissolved air flotation for treating wastewater of the nuclear industry. Preliminary results

International Nuclear Information System (INIS)

Ortiz-Oliveros, H.B.; Jimenez-Moleon, M.C.; Cruz-Gonzalez, D.

2012-01-01

Preliminary testing of dissolved air flotation (DAF) for wastewater treatment is presented. A combined coagulation-flocculation/DAF column system is used to remove oil and 60 Co from nuclear industry wastewater. In this work, operational conditions and coagulant/flocculant concentrations are optimized by varying pH. Determinations of air-solids ratio (G/S), retention time (θ), pressure (P), volume of depressurized air-water mixture (V), turbidity and 60 Co concentrations are reported. The effect of the treatment on the efficiency of separation of oily residues is also discussed. The results establish that the coagulant/flocculant system, formed by a modified polyamine (25 mgL -1 ) and a slightly cationic polyacrylamide (1.5 mgL -1 ), under specific operational conditions (pH = 7, mixing intensity Im 1 = 300 s -1 and Im 2 = 30 s -1 ), allowed the destabilization of colloidal matter, resulting in resistant flocs. It was concluded that by using G/S = 0.3, θ = 15 min, P = 620 kPa and V = 0.0012 m 3 , the greatest percentage removals of oil, turbidity, total cobalt and 60 Co were obtained. These preliminary results then show that dissolved air flotation represents a good alternative for treatment of nuclear industry wastewater contaminated with radionuclides. (author)

Cell-free protein synthesis for structure determination by X-ray crystallography.

Science.gov (United States)

Watanabe, Miki; Miyazono, Ken-ichi; Tanokura, Masaru; Sawasaki, Tatsuya; Endo, Yaeta; Kobayashi, Ichizo

2010-01-01

Structure determination has been difficult for those proteins that are toxic to the cells and cannot be prepared in a large amount in vivo. These proteins, even when biologically very interesting, tend to be left uncharacterized in the structural genomics projects. Their cell-free synthesis can bypass the toxicity problem. Among the various cell-free systems, the wheat-germ-based system is of special interest due to the following points: (1) Because the gene is placed under a plant translational signal, its toxic expression in a bacterial host is reduced. (2) It has only little codon preference and, especially, little discrimination between methionine and selenomethionine (SeMet), which allows easy preparation of selenomethionylated proteins for crystal structure determination by SAD and MAD methods. (3) Translation is uncoupled from transcription, so that the toxicity of the translation product on DNA and its transcription, if any, can be bypassed. We have shown that the wheat-germ-based cell-free protein synthesis is useful for X-ray crystallography of one of the 4-bp cutter restriction enzymes, which are expected to be very toxic to all forms of cells retaining the genome. Our report on its structure represents the first report of structure determination by X-ray crystallography using protein overexpressed with the wheat-germ-based cell-free protein expression system. This will be a method of choice for cytotoxic proteins when its cost is not a problem. Its use will become popular when the crystal structure determination technology has evolved to require only a tiny amount of protein.

The RPC-based IFR system at BaBar experiment: preliminary results

International Nuclear Information System (INIS)

Piccolo, Davide; Palano, A.; Bagnasco, S.; Buzzo, A.; Contri, R.; Crosetti, G.; Lo Vetere, M.; Macri, M.; Monge, R.; Passaggio, S.; Patrignani, C.; Robutti, E.; Santroni, A.; Anulli, F.; Baldini, R.; Calcaterra, A.; De Sangro, R.; Falciai, D.; Finocchiaro, G.; Patteri, P.; Peruzzi, I.; Piccolo, M.; Yu, Z.; Zallo, A.; Cavallo, N.; De Nardo, G.; Fabozzi, F.; Gatto, C.; Lista, L.; Paolucci, P.; Sciacca, C.; Bionta, R.; Wright, D.; Band, H.; Johnson, J.

2002-01-01

The IFR system is a RPC-based detector used to identify muons and neutral hadrons in the BaBar experiment at PEP II machine in SLAC. The RPC system can be used to reconstruct the trajectory of muons, pions and neutral hadrons interacting in the iron of the IFR. The different range and hit pattern allow to discriminate different particles crossing the IFR. An overview of the system design and the preliminary results on the IFR performances are reported

The RPC-based IFR system at BaBar experiment preliminary results

CERN Document Server

Piccolo, D; Bagnasco, S; Baldini, R; Band, H R; Bionta, R; Buzzo, A; Calcaterra, A; Cavallo, N; Contri, R; Crosetti, G; De Nardo, Gallieno; De Sangro, R; Fabozzi, F; Falciai, D; Finocchiaro, G; Gatto, C; Johnson, J; Lista, L; Lo Vetere, M; Macri, M; Monge, R; Palano, A; Paolucci, P; Passaggio, S; Patrignani, C; Patteri, P; Peruzzi, I; Piccolo, M; Robutti, E; Santroni, A; Sciacca, C; Wright, D; Yu, Z; Zallo, A

2002-01-01

The IFR system is a RPC-based detector used to identify muons and neutral hadrons in the BaBar experiment at PEP II machine in SLAC. The RPC system can be used to reconstruct the trajectory of muons, pions and neutral hadrons interacting in the iron of the IFR. The different range and hit pattern allow to discriminate different particles crossing the IFR. An overview of the system design and the preliminary results on the IFR performances are reported.

KEEP Reading Research 1974: Overall Strategy and Preliminary Results. Technical Report No. 23.

Science.gov (United States)

Tharp, Roland G.; And Others

Reading research is an important aspect of the Kamehameha Early Education Program. This report describes the overall strategy of the reading research program, which is based on a conceptual framework that divides lines of inquiry into motivation, linguistics, instructional procedures, and correlational analysis. Preliminary results for each of…

Preliminary investigation into aerosol mobilization resulting from fusion reactor disruptions

International Nuclear Information System (INIS)

Sharpe, J.P.; Bourham, M.A.; Gilligan, J.G.

1996-01-01

An experimental system has been developed to study disruption-induced aerosol mobilization for fusion accident analysis. The SIRENS high heat flux facility at North Carolina State University has been modified to closely simulate disruption conditions expected in tokamak reactors. A hot vapor is formed by an ablation-controlled arc and expansion cooled into a glass chamber, where particle condensation and growth occur. The particles are collected and analyzed for relevant transport properties (e.g. size distribution and shape). Particle characterization methods are discussed, and preliminary results based on simple analysis techniques are given. 2 refs., 6 figs

Escherichia coli O26 IN RAW BUFFALO MILK: PRELIMINARY RESULTS

Directory of Open Access Journals (Sweden)

A. Rella

2013-02-01

Full Text Available Escherichia coli O26 is considered to be one of the most important food-borne pathogen. In this study, 120 buffalo milk samples collected in Lazio and in Apulia regions were tested for the presence of E. coli O26. One buffalo milk sample (0,8% tested positive for E. coli O26; the isolate was positive at the verocytotoxicity test and it showed resistance properties to different antimicrobial classes. These preliminary results highlight the need to monitor the foods of animal origin used for production and eaten by a wide range of persons, respect VTEC organism.

In meso in situ serial X-ray crystallography of soluble and membrane proteins

International Nuclear Information System (INIS)

Huang, Chia-Ying; Olieric, Vincent; Ma, Pikyee; Panepucci, Ezequiel; Diederichs, Kay; Wang, Meitian; Caffrey, Martin

2015-01-01

A method for performing high-throughput in situ serial X-ray crystallography with soluble and membrane proteins in the lipid cubic phase is described. It works with microgram quantities of protein and lipid (and ligand when present) and is compatible with the most demanding sulfur SAD phasing. The lipid cubic phase (LCP) continues to grow in popularity as a medium in which to generate crystals of membrane (and soluble) proteins for high-resolution X-ray crystallographic structure determination. To date, the PDB includes 227 records attributed to the LCP or in meso method. Among the listings are some of the highest profile membrane proteins, including the β 2 -adrenoreceptor–G s protein complex that figured in the award of the 2012 Nobel Prize in Chemistry to Lefkowitz and Kobilka. The most successful in meso protocol to date uses glass sandwich crystallization plates. Despite their many advantages, glass plates are challenging to harvest crystals from. However, performing in situ X-ray diffraction measurements with these plates is not practical. Here, an alternative approach is described that provides many of the advantages of glass plates and is compatible with high-throughput in situ measurements. The novel in meso in situ serial crystallography (IMISX) method introduced here has been demonstrated with AlgE and PepT (alginate and peptide transporters, respectively) as model integral membrane proteins and with lysozyme as a test soluble protein. Structures were solved by molecular replacement and by experimental phasing using bromine SAD and native sulfur SAD methods to resolutions ranging from 1.8 to 2.8 Å using single-digit microgram quantities of protein. That sulfur SAD phasing worked is testament to the exceptional quality of the IMISX diffraction data. The IMISX method is compatible with readily available, inexpensive materials and equipment, is simple to implement and is compatible with high-throughput in situ serial data collection at macromolecular

SmallWorld Behavior of the Worldwide Active Volcanoes Network: Preliminary Results

Science.gov (United States)

Spata, A.; Bonforte, A.; Nunnari, G.; Puglisi, G.

2009-12-01

We propose a preliminary complex networks based approach in order to model and characterize volcanoes activity correlation observed on a planetary scale over the last two thousand years. Worldwide volcanic activity is in fact related to the general plate tectonics that locally drives the faults activity, that in turn controls the magma upraise beneath the volcanoes. To find correlations among different volcanoes could indicate a common underlying mechanism driving their activity and could help us interpreting the deeper common dynamics controlling their unrest. All the first evidences found testing the procedure, suggest the suitability of this analysis to investigate global volcanism related to plate tectonics. The first correlations found, in fact, indicate that an underlying common large-scale dynamics seems to drive volcanic activity at least around the Pacific plate, where it collides and subduces beneath American, Eurasian and Australian plates. From this still preliminary analysis, also more complex relationships among volcanoes lying on different tectonic margins have been found, suggesting some more complex interrelationships between different plates. The understanding of eventually detected correlations could be also used to further implement warning systems, relating the unrest probabilities of a specific volcano also to the ongoing activity to the correlated ones. Our preliminary results suggest that, as for other many physical and biological systems, an underlying organizing principle of planetary volcanoes activity might exist and it could be a small-world principle. In fact we found that, from a topological perspective, volcanoes correlations are characterized by the typical features of small-world network: a high clustering coefficient and a low characteristic path length. These features confirm that global volcanoes activity is characterized by both short and long-range correlations. We stress here the fact that numerical simulation carried out in

K. S. Krishnan Memorial Lecture: The role of crystallography in solid state physics

Energy Technology Data Exchange (ETDEWEB)

Guinier, A [Paris-11 Univ., 91 - Orsay (France)

1977-06-01

The role of crystallography in solving problems in solid state physics, is explained. A few domains in solid state physics such as detection of localized defects, structure of metallic solid solutions, mechanism of phase transitions and the intermediate states between crystalline and amorphous states, have been investigated successfully by X-ray and neutron diffraction methods. The studies have helped a deeper understanding of solid state phenomena. Structures of CuBa, AlZn, ..beta..-alumina etc. are discussed.

Preliminary results from the MINERvA experiment

International Nuclear Information System (INIS)

Harris, Deborah A.

2011-01-01

The MINERvA experiment, operating since 2009 in the NuMI neutrino beam line at Fermilab, has collected neutrino and antineutrino scattering data on a variety of nuclear targets. The detector is designed to identify events originating in plastic scintillator, lead, carbon, iron, water, and liquid helium. The goal of the experiment is to measure inclusive and exclusive cross sections for neutrino and antineutrino with much greater precision than previous experiments. We present preliminary kinematic distributions for charged current quasi-elastic scattering and other processes.

Langmuir-Blodgett nanotemplates for protein crystallography.

Science.gov (United States)

Pechkova, Eugenia; Nicolini, Claudio

2017-12-01

The new generation of synchrotrons and microfocused beamlines has enabled great progress in X-ray protein crystallography, resulting in new 3D atomic structures for proteins of high interest to the pharmaceutical industry and life sciences. It is, however, often still challenging to produce protein crystals of sufficient size and quality (order, intensity of diffraction, radiation stability). In this protocol, we provide instructions for performing the Langmuir-Blodgett (LB) nanotemplate method, a crystallization approach that can be used for any protein (including membrane proteins). We describe how to produce highly ordered 2D LB protein monolayers at the air-water interface and deposit them on glass slides. LB-film formation can be observed by surface-pressure measurements and Brewster angle microscopy (BAM), although its quality can be characterized by atomic force microscopy (AFM) and nanogravimetry. Such films are then used as a 2D template for triggering 3D protein crystal formation by hanging-drop vapor diffusion. The procedure for forming the 2D template takes a few minutes. Structural information about the protein reorganization in the LB film during the crystallization process on the nano level can be obtained using an in situ submicron GISAXS (grazing-incidence small-angle X-ray scattering) method. MicroGISAXS spectra, measured directly at the interface of the LB films and protein solution in real time, as described in this protocol, can be interpreted in terms of the buildup of layers, islands, or holes. In our experience, the obtained LB crystals take 1-10 d to prepare and they are more ordered and radiation stable as compared with those produced using other crystallization methods.

Vivo dosimetry using TLD detectors in prostate seed implants of I-125: preliminary results

International Nuclear Information System (INIS)

Sanchez-Reyes, A.; Pedro, A.; Bassas, P.; Duch, M. A.; Cros, M.; Mane, S.

2011-01-01

We present preliminary results of a new in vivo dosimetry technique that could allow to know immediately after implantation of the prostate if the dose distribution determined by the scheduler is similar to the actual dose measured with TLD detectors.

77 FR 66580 - Certain Preserved Mushrooms From India: Preliminary Results of Antidumping Duty Administrative...

Science.gov (United States)

2012-11-06

... DEPARTMENT OF COMMERCE International Trade Administration [A-533-813] Certain Preserved Mushrooms... preserved mushrooms (mushrooms) from India. The period of review (POR) is February 1, 2011, through January... Preliminary Results of Antidumping Duty Administrative Review: Certain Preserved Mushrooms from India...

Chemical Analysis of the Moon at the Surveyor VII Landing Site: Preliminary Results.

Science.gov (United States)

Turkevich, A L; Franzgrote, E J; Patterson, J H

1968-10-04

The alpha-scattering experiment aboard Surveyor VII has provided a chemical analysis of the moon in the area of the crater Tycho. The preliminary results indicate a chemical composition similar to that already found at two mare sites, but with a lower concentration of elements of the iron group (titanium through copper).

A convolutional neural network-based screening tool for X-ray serial crystallography.

Science.gov (United States)

Ke, Tsung Wei; Brewster, Aaron S; Yu, Stella X; Ushizima, Daniela; Yang, Chao; Sauter, Nicholas K

2018-05-01

A new tool is introduced for screening macromolecular X-ray crystallography diffraction images produced at an X-ray free-electron laser light source. Based on a data-driven deep learning approach, the proposed tool executes a convolutional neural network to detect Bragg spots. Automatic image processing algorithms described can enable the classification of large data sets, acquired under realistic conditions consisting of noisy data with experimental artifacts. Outcomes are compared for different data regimes, including samples from multiple instruments and differing amounts of training data for neural network optimization. open access.

Aerosol composition in a stagnant air mass impacted by dense fogs: preliminary results

Energy Technology Data Exchange (ETDEWEB)

Jacob, D.J.; Munger, J.W.; Waldman, J.M.; Hoffman, M.R.

1984-01-01

Over the last two winters, our research group has been investigating the chemical composition of fogwater and haze aerosol during wintertime stagnation episodes in the San Joaquin Valley of California. The valley is encompassed by mountain ranges. During the winter a strong subsidence inversion based below the natural boundaries of the valley restricts the ventilation of the air masses below the inversion. The residence time of an air parcel in the valley under these stagnation conditions is on the order of 8 days. Because the trapped air is very humid, stagnation episodes are associated with a persistent thick haze and frequent widespread nighttime fogs. During the winter 1982-1983 the authors sampled fog and haze at one site (Bakersfield); results from this preliminary study have been discussed in detail in a previous report. In the winter 1983-1984 the scale of the program was expanded in order to test hypotheses formulated as a result of first year data. The present paper first reports briefly on the 1982-1983 results and outlines the essential conclusions. They then describe the large-scale experiment conducted during the winter of 1983-1984, and discuss some preliminary fogwater data.

Vapour explosions (fuel-coolant interactions) resulting from the sub-surface injection of water into molten metals: preliminary results

International Nuclear Information System (INIS)

Asher, R.C.; Bullen, D.; Davies, D.

1976-03-01

Preliminary experiments are reported on the relationship between the injection mode of contact and the occurrence and magnitude of vapour explosions. Water was injected beneath the surface of molten metals, chiefly tin at 250 to 900 0 C. Vapour explosions occurred in many, but not all, cases. The results are compared with Dullforce's observations (Culham Report (CLM-P424) on the dropping mode of contact and it appears that rather different behaviour is found; in particular, the present results suggest that the Temperature Interaction Zone is different for the two modes of contact. (author)

Synthesis and structure elucidation of a series of pyranochromene chalcones and flavanones using 1D and 2D NMR spectroscopy and X-ray crystallography.

Science.gov (United States)

Pawar, Sunayna S; Koorbanally, Neil A

2014-06-01

A series of novel pyranochromene chalcones and corresponding flavanones were synthesized. This is the first report on the confirmation of the absolute configuration of chromene-based flavanones using X-ray crystallography. These compounds were characterized by 2D NMR spectroscopy, and their assignments are reported herein. The 3D structure of the chalcone 3b and flavanone 4g was determined by X-ray crystallography, and the structure of the flavanone was confirmed to be in the S configuration at C-2. Copyright © 2014 John Wiley & Sons, Ltd.

A Qualitative Study of Factors Influencing Racial Diversity in Environmental Education: Preliminary Results

Science.gov (United States)

Kathy James; Leo H. McAvoy

1992-01-01

This study presents preliminary result interviews with people of color working in environmental education and interpretation throughout the United States. The three primary questions asked were these? (1) What path led each individual to a career in environmental education; (2) How does each individual define environmentalism? and (3) What are the primary issues this...

Radiation Testing on State-of-the-Art CMOS: Challenges, Plans, and Preliminary Results

Science.gov (United States)

LaBel, Kenneth A.; Cohn, Lewis M.

2009-01-01

At GOMAC 2007 and 2008, we discussed a variety of challenges for radiation testing of modern semiconductor devices and technologies [1, 2]. In this presentation, we provide more specific details in this on-going investigation focusing on out-of-the-box lessons observed for providing radiation effects assurances as well as preliminary test results.

Chemical Analysis of the Moon at the Surveyor VI Landing Site: Preliminary Results.

Science.gov (United States)

Turkevich, A L; Patterson, J H; Franzgrote, E J

1968-06-07

The alpha-scattering experiment aboard soft-landing Surveyor VI has provided a chemical analysis of the surface of the moon in Sinus Medii. The preliminary results indicate that, within experimental errors, the composition is the same as that found by Surveyor V in Mare Tranquillitatis. This finding suggests that large portions of the lunar maria resemble basalt in composition.

Small-angle neutron scattering investigations of Co-doped iron oxide nanoparticles. Preliminary results

Science.gov (United States)

Creanga, Dorina; Balasoiu, Maria; Soloviov, Dmitro; Balasoiu-Gaina, Alexandra-Maria; Puscasu, Emil; Lupu, Nicoleta; Stan, Cristina

2018-03-01

Preliminary small-angle neutron scattering investigations on aqueous suspensions of several cobalt doped ferrites (CoxFe3-xO4, x=0; 0.5; 1) nanoparticles prepared by chemical co-precipitation method, are reported. The measurements were accomplished at the YuMO instrument in function at the IBR-2 reactor. Results of intermediary data treatment are presented and discussed.

Preliminary results of a battery-based, multi megawatt 200 kA pulsed power supply.

NARCIS (Netherlands)

Karthaus, W.; Kolkert, W.J.; Nowee, J.

1989-01-01

A pulsed power supply consisting of a fast discharge battery, a switch based on silicon-controlled-rectifier SCR technology, and an energy storage/pulse transformer is discussed. Preliminary results indicate that the battery is capable of discharging current pulses with reproducible peak values of

78 FR 28192 - Polyethylene Retail Carrier Bags From Thailand: Preliminary Results of Antidumping Duty...

Science.gov (United States)

2013-05-14

... Bags From Thailand: Preliminary Results of Antidumping Duty Administrative Review; 2011-2012 AGENCY... on polyethylene retail carrier bags (PRCBs) from Thailand. The review covers 11 respondents. The... merchandise has been sold at less than normal value by the companies subject to this review. DATES: Effective...

Preliminary results on tests of a Cerenkov ring imaging device employing a photoionizing PWC

Energy Technology Data Exchange (ETDEWEB)

Durkin, S.; Honma, A.; Leith, D.W.G.S.

1978-08-01

A brief description of techniques and problems of ring imaging Cerenkov detectors employing photoionizing PWC's is discussed. Preliminary results on a one dimensional ring imaging device tested at SLAC in May and June of 1978 are then presented. These results include rough measurements of the Cerenkov ring in nitrogen, argon, neon, and helium produced by a collimated positron beam.

Influence of crystallography and bonding on the structure and migration of irrational interphase boundaries

Science.gov (United States)

Aaronson, H. I.

2006-03-01

Interphase boundary structure developed during precipitation from solid solution and during massive transformations is considered in diverse alloy systems in the presence of differences in stacking sequence across interphase boundaries. Linear misfit compensating defects, including misfit dislocations, structural disconnections, and misfit disconnections, are present over a wide range of crystallographie when both phases have metallic bonding. Misfit dislocations have also been observed when both phases have covalent bonding ( e.g., US: β US2 by Sole and van der Walt). These defects are also found when one phase is ionic and the other is metallic (Nb∶Al2O3 by Rühle et al.), albeit when the latter is formed by vapor deposition. However, when bonding is metallic in one phase but significantly covalent in the other, the structure of the interphase boundary appears to depend upon the strength of the covalent bonding relative to that in the metallically bonded phase. When this difference is large, growth can take place as if it were occurring at a free surface, resulting in orientation relationships that are irrational and conjugate habit planes that are ill matched ( e.g., ZrN: α Zr-N by Li et al. and Xe(solid):Al-Xe by Kishida and Yamaguchi). At lower levels of bonding directionality and strength, crystallography is again irrational, but now edge-to-edge-based low-energy structures can replace linear misfit compensating defects (γm:TiAl:αTi-Al by Reynolds et al.). In the perhaps still smaller difference case of Widmanstätten cementite precipitated from austenite, one orientation relationship yields plates with linear misfit compensating defects at their broad faces whereas another (presumably nucleated at different types of site) produces laths with poorly defined shapes and interfacial structures. Hence, Hume-Rothery-type bonding considerations can markedly affect interphase boundary structure and thus the mechanisms, kinetics, and morphology of growth.

Coded diffraction system in X-ray crystallography using a boolean phase coded aperture approximation

Science.gov (United States)

Pinilla, Samuel; Poveda, Juan; Arguello, Henry

2018-03-01

Phase retrieval is a problem present in many applications such as optics, astronomical imaging, computational biology and X-ray crystallography. Recent work has shown that the phase can be better recovered when the acquisition architecture includes a coded aperture, which modulates the signal before diffraction, such that the underlying signal is recovered from coded diffraction patterns. Moreover, this type of modulation effect, before the diffraction operation, can be obtained using a phase coded aperture, just after the sample under study. However, a practical implementation of a phase coded aperture in an X-ray application is not feasible, because it is computationally modeled as a matrix with complex entries which requires changing the phase of the diffracted beams. In fact, changing the phase implies finding a material that allows to deviate the direction of an X-ray beam, which can considerably increase the implementation costs. Hence, this paper describes a low cost coded X-ray diffraction system based on block-unblock coded apertures that enables phase reconstruction. The proposed system approximates the phase coded aperture with a block-unblock coded aperture by using the detour-phase method. Moreover, the SAXS/WAXS X-ray crystallography software was used to simulate the diffraction patterns of a real crystal structure called Rhombic Dodecahedron. Additionally, several simulations were carried out to analyze the performance of block-unblock approximations in recovering the phase, using the simulated diffraction patterns. Furthermore, the quality of the reconstructions was measured in terms of the Peak Signal to Noise Ratio (PSNR). Results show that the performance of the block-unblock phase coded apertures approximation decreases at most 12.5% compared with the phase coded apertures. Moreover, the quality of the reconstructions using the boolean approximations is up to 2.5 dB of PSNR less with respect to the phase coded aperture reconstructions.

Outrunning free radicals in room-temperature macromolecular crystallography

International Nuclear Information System (INIS)

Owen, Robin L.; Axford, Danny; Nettleship, Joanne E.; Owens, Raymond J.; Robinson, James I.; Morgan, Ann W.; Doré, Andrew S.; Lebon, Guillaume; Tate, Christopher G.; Fry, Elizabeth E.; Ren, Jingshan; Stuart, David I.; Evans, Gwyndaf

2012-01-01

A systematic increase in lifetime is observed in room-temperature protein and virus crystals through the use of reduced exposure times and a fast detector. A significant increase in the lifetime of room-temperature macromolecular crystals is reported through the use of a high-brilliance X-ray beam, reduced exposure times and a fast-readout detector. This is attributed to the ability to collect diffraction data before hydroxyl radicals can propagate through the crystal, fatally disrupting the lattice. Hydroxyl radicals are shown to be trapped in amorphous solutions at 100 K. The trend in crystal lifetime was observed in crystals of a soluble protein (immunoglobulin γ Fc receptor IIIa), a virus (bovine enterovirus serotype 2) and a membrane protein (human A 2A adenosine G-protein coupled receptor). The observation of a similar effect in all three systems provides clear evidence for a common optimal strategy for room-temperature data collection and will inform the design of future synchrotron beamlines and detectors for macromolecular crystallography

Outrunning free radicals in room-temperature macromolecular crystallography

Energy Technology Data Exchange (ETDEWEB)

Owen, Robin L., E-mail: robin.owen@diamond.ac.uk; Axford, Danny [Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom); Nettleship, Joanne E.; Owens, Raymond J. [Rutherford Appleton Laboratory, Didcot OX11 0FA (United Kingdom); The Henry Wellcome Building for Genomic Medicine, Roosevelt Drive, Oxford OX3 7BN (United Kingdom); Robinson, James I.; Morgan, Ann W. [University of Leeds, Leeds LS9 7FT (United Kingdom); Doré, Andrew S. [Heptares Therapeutics Ltd, BioPark, Welwyn Garden City AL7 3AX (United Kingdom); Lebon, Guillaume; Tate, Christopher G. [MRC Laboratory of Molecular Biology, Hills Road, Cambridge CB2 0QH (United Kingdom); Fry, Elizabeth E.; Ren, Jingshan [The Henry Wellcome Building for Genomic Medicine, Roosevelt Drive, Oxford OX3 7BN (United Kingdom); Stuart, David I. [Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom); The Henry Wellcome Building for Genomic Medicine, Roosevelt Drive, Oxford OX3 7BN (United Kingdom); Evans, Gwyndaf [Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE (United Kingdom)

2012-06-15

A systematic increase in lifetime is observed in room-temperature protein and virus crystals through the use of reduced exposure times and a fast detector. A significant increase in the lifetime of room-temperature macromolecular crystals is reported through the use of a high-brilliance X-ray beam, reduced exposure times and a fast-readout detector. This is attributed to the ability to collect diffraction data before hydroxyl radicals can propagate through the crystal, fatally disrupting the lattice. Hydroxyl radicals are shown to be trapped in amorphous solutions at 100 K. The trend in crystal lifetime was observed in crystals of a soluble protein (immunoglobulin γ Fc receptor IIIa), a virus (bovine enterovirus serotype 2) and a membrane protein (human A{sub 2A} adenosine G-protein coupled receptor). The observation of a similar effect in all three systems provides clear evidence for a common optimal strategy for room-temperature data collection and will inform the design of future synchrotron beamlines and detectors for macromolecular crystallography.

Control and data acquisition system for the macromolecular crystallography beamline of SSRF

International Nuclear Information System (INIS)

Wang Qisheng; Huang Sheng; Sun Bo; Tang Lin; He Jianhua

2012-01-01

The macromolecular crystallography beamline BL17U1 of Shanghai Synchrotron Radiation Facility (SSRF) is an important platform for structure biological science. High performance of the beamline would benefit the users greatly in their experiment and data acquisition. To take full advantage of the state-of-the-art mechanical and physical design of the beamline, we have made a series of efforts to develop a robust control and data acquisition system, with user-friendly GUI. These were done by adopting EPICS and Blu-Ice systems on the BL17U1 beamline, with considerations on easy accommodation of new beeline components. In this paper, we report the integration of EPICS and Blu-Ice systems. By using the EPICS gateway interface and several new DHS, Blu-Ice was successfully established for the BL17U1 beamline. As a result, the experiment control and data acquisition system is reliable and functional for users. (authors)

The monitoring system for macromolecular crystallography beamlines at BSRF

International Nuclear Information System (INIS)

Guo Xian; Chang Guangcai; Gan Quan; Shi Hong; Liu Peng; Sun Gongxing

2012-01-01

The monitoring system for macromolecular crystallography beamlines at BSRF (Beijing Synchrotron Radiation Facility) based on LabVIEW is introduced. In order to guarantee a safe, stable, and reliable running for the beamline devices, the system monitors the state of vacuum, cooling-water, optical components, beam, Liquid nitrogen in the beamlines in real time, detects faults and gives the alarm timely. System underlying uses the driver developed for the field devices for data acquisition, Data of collection is uploaded to the data-sharing platform makes it accessible via a network share. The upper system divides modules according to the actual function, and establishes the main interface of the monitoring system of beamline. To Facilitate data storage, management and inquiry, the system use LabSQL toolkit to achieve the interconnection with MySQL database which data of collection is sent to. (authors)

Hybrid Spectral Micro-CT: System Design, Implementation, and Preliminary Results

CERN Document Server

Bennett, James R; Xu, Qiong; Yu, Hengyong; Walsh, Michael; Butler, Anthony; Butler, Phillip; Cao, Guohua; Mohs, Aaron; Wang, Ge

2014-01-01

Spectral CT has proven an important development in biomedical imaging, and there have been several publications in the past years demonstrating its merits in pre-clinical and clinical applications. In 2012, Xu et al. reported that near-term implementation of spectral micro-CT could be enhanced by a hybrid architecture: a narrow-beam spectral "interior" imaging chain integrated with a traditional wide-beam "global" imaging chain. This hybrid integration coupled with compressive sensing (CS)-based interior tomography demonstrated promising results for improved contrast resolution, and decreased system cost and radiation dose. The motivation for the current study is implementation and evaluation of the hybrid architecture with a first-of-its-kind hybrid spectral micro-CT system. Preliminary results confirm improvements in both contrast and spatial resolution. This technology is shown to merit further investigation and potential application in future spectral CT scanner design.

A rapid alternative to X-ray crystallography for chiral determination: case studies of vibrational circular dichroism (VCD) to advance drug discovery projects.

Science.gov (United States)

Wesolowski, Steven S; Pivonka, Don E

2013-07-15

The absolute stereochemistry of chiral drugs is usually established via X-ray crystallography. However, vibrational circular dichroism (VCD) spectroscopy coupled with quantum mechanics simulations offers a rapid alternative to crystallography and is readily applied to both crystalline and non-crystalline samples. VCD is an effective complement to X-ray analysis of drug candidates, and it can be used as a high-throughput means of assessing absolute stereochemistry at all phases of the discovery process (hundreds of assignments per year). The practical implementation (or fee-for-service outsourcing) of VCD and selected case studies are illustrated with an emphasis on providing utility and impact to pharmaceutical discovery programs. Copyright © 2013 Elsevier Ltd. All rights reserved.

Approach to the fracture hydrology at Stripa: preliminary results

International Nuclear Information System (INIS)

Gale, J.E.; Witherspoon, P.A.

1979-05-01

There are two main problems associated with the concept of geologic storage of radioactive waste in fractured crystalline rock: (1) the thermo-mechanical effects of the heat generated by the waste, and (2) the potential for transport of radioactive materials by the groundwater system. In both problems, fractures play a dominant role. An assessment of the hydraulic and mechanical characteristics of fractued rock requires a careful series of laboratory and field investigations. The complexity of the problem is illustrated by the field studies in a fractured granite that are currently underway in an abandoned iron-ore mine at Stripa, Sweden. Much information is being gathered from an extensive series of boreholes and fracture maps. The approach being taken to integrate these data into an analysis of the fracture hydrology is reviewed and preliminary results from the hydrology program are presented. 13 figures

Monte Carlo simulation of a TRIGA source driven core configuration: Preliminary results

International Nuclear Information System (INIS)

Burgio, N.; Ciavola, C.; Santagata, A.

2002-01-01

The different core configurations with a k eff ranging from 0.93 to 0.98, and their response when driven by a pulsed neutron source were simulated with MCNP4C3 (Los Alamos - Monte Carlo N Particles). Simulation results could be considered both as preliminary check for nuclear data and a conceptual design for 'source jerk' experiments on the frame of TRIGA Accelerator Driven Experiment (TRADE) on the reactor facility of Casaccia research center. (author)

NATURAL CYCLOPENTANOID CYANOHYDRIN GLYCOSIDES .13. STRUCTURE DETERMINATION OF NATURAL EPOXYCYCLOPENTANES BY X-RAY CRYSTALLOGRAPHY AND NMR-SPECTROSCOPY

DEFF Research Database (Denmark)

Olafsdottir, E. S.; Sorensen, A. M.; Cornett, Claus

1991-01-01

nonannellated cyclopentane derivatives. The new glucosides were shown, by NMR spectroscopy (including NOE measurements), X-ray crystallography, and enzymatic hydrolysis to the corresponding cyanohydrins, to be (1R,2R,3R,4R)- and (1S,2S,3S,4S)-1-(beta-D-glucopyranosyloxy)-2,3-epoxy-4-hydroxycyclopenta ne-1...

Effects of Cr 3+ impurity concentration on the crystallography of synthetic emerald crystals

Science.gov (United States)

Lee, Pei-Lun; Huang, Eugene; Lee, Jan-Shing; Yu, Shu-Cheng

2011-06-01

Flux method has been adopted for the synthesis of emerald crystals using PbO-V 2O 5 as a flux in order to study the crystallography of the synthetic crystals. In general, the hue of green color of emerald deepens with the addition of Cr 3+. The molar volume of the synthesized crystals was found to increase with the incorporation of Cr 2O 3 dopant. The substitution of Cr 3+ for Al 3+ in the octahedral sites of beryl results in the expansion of a-axis, while c-axis remains nearly unchanged. The maximum Cr 2O 3-content allowed in the crystal lattice of emerald has been found to be about 3.5 wt%. When the doping Cr 2O 3-content exceeds 3.5 wt%, a significant anomaly in lattice parameters starts to take place, accompanying the precipitation of an unknown phase in the emerald matrix.

Preliminary Results Of PCA On MRO CRISM Multispectral Images

Science.gov (United States)

Klassen, David R.; Smith, M. D.

2008-09-01

Mars Reconnaissance Orbiter arrived at Mars in March 2006 and by September had achieved its science-phase orbit with the Compact Reconnaissance Imaging Spectrometer for Mars (CRISM) beginning its visible to near-infrared (VIS/NIR) spectral imaging shortly thereafter. One of the goals of CRISM is to fill in the spatial gaps between the various targeted observations, eventually mapping the entire surface. Due to the large volume of data this would create, the instrument works in a reduced spectral sampling mode creating "multispectral” images. From this data we can create image cubes using 70 wavelengths from 0.410 to 3.504 µm. We present here a preliminary analysis of these multispectral mode data products using the technique of Principal Components Analysis. Previous work with ground-based images has shown that over an entire visible hemisphere, there are only three to four meaningful components out of 32-105 wavelengths over 1.5-4.1 µm. The first two of these components are fairly consistent over all time intervals from day-to-day and season-to-season. [1-4] The preliminary work on the CRISM images cubes implies similar results_three to four significant principal components that are fairly consistent over time. We will show these components and a rough linear mixture modeling based on in-data spectral endmembers derived from the extrema of the principal components [5]. References: [1] Klassen, D. R. and Bell III, J. F. (2001) BAAS 33, 1069. [2] Klassen, D. R. and Bell III, J. F. (2003) BAAS, 35, 936. [3] Klassen, D. R., Wark, T. J., Cugliotta, C. G. (2005) BAAS, 37, 693. [4] Klassen, D. R. and Bell III, J. F. (2007) in preparation. [5] Klassen, D. R. and Bell III, J. F. (2000) BAAS, 32, 1105.

Preliminary results of a feasibility study for a hard x-ray Kirkpatrick-Baez telescope

DEFF Research Database (Denmark)

Joensen, Karsten D.; Gorenstein, Paul; Wood, James L.

1994-01-01

the preliminary results of a feasibility study of a multifocus Kirkpatrick-Baez telescope. We conclude that high quality multilayers can be performed on relevant thin large flat substrate with adequate uniformity, and that existing deposition chambers can produce the multilayers at a rate of 0.42 m2 per day, so...

Jovian seismology: preliminary results of the SYMPA instrument

Science.gov (United States)

Gaulme, P.; Schmider, F. X.; Gay, J.; Jacob, C.; Jeanneaux, F.; Alvarez, M.; Reyes, M.; Valtier, J. C.; Fossat, E.; Palle, P. L.; Belmonte, J. C.; Gelly, B.

2006-06-01

Jupiter's internal structure is poorly known (Guillot et al. 2004). Seismology is a powerful tool to investigate the internal structure of planets and stars, by analyzing how acoustic waves propagate. Mosser (1997) and Gudkova & Zarkhov (1999) showed that the detection and the identification of non-radial modes up to degree ℓ=25 can constrain strongly the internal structure. SYMPA is a ground-based network project dedicated to the Jovian oscillations (Schmider et al. 2002). The instrument is composed of a Mach-Zehnder interferometer producing four interferograms of the planetary spectrum. The combination of the four images in phase quadrature allows the reconstruction of the incident light phase, which is related to the Doppler shift generated by the oscillations. Two SYMPA instruments were built at the Nice university and were used simultaneously during two observation campaigns, in 2004 and 2005, at the San Pedro Martir observatory (Mexico) and the Teide observatory (Las Canarias). We will present for the first time the data processing and the preliminary results of the experiment.

Nuclear Reactor Component Code CUPID-I: Numerical Scheme and Preliminary Assessment Results

International Nuclear Information System (INIS)

Cho, Hyoung Kyu; Jeong, Jae Jun; Park, Ik Kyu; Kim, Jong Tae; Yoon, Han Young

2007-12-01

A component scale thermal hydraulic analysis code, CUPID (Component Unstructured Program for Interfacial Dynamics), is being developed for the analysis of components of a nuclear reactor, such as reactor vessel, steam generator, containment, etc. It adopted three-dimensional, transient, two phase and three-field model. In order to develop the numerical schemes for the three-field model, various numerical schemes have been examined including the SMAC, semi-implicit ICE, SIMPLE, Row Scheme and so on. Among them, the ICE scheme for the three-field model was presented in the present report. The CUPID code is utilizing unstructured mesh for the simulation of complicated geometries of the nuclear reactor components. The conventional ICE scheme that was applied to RELAP5 and COBRA-TF, therefore, were modified for the application to the unstructured mesh. Preliminary calculations for the unstructured semi-implicit ICE scheme have been conducted for a verification of the numerical method from a qualitative point of view. The preliminary calculation results showed that the present numerical scheme is robust and efficient for the prediction of phase changes and flow transitions due to a boiling and a flashing. These calculation results also showed the strong coupling between the pressure and void fraction changes. Thus, it is believed that the semi-implicit ICE scheme can be utilized for transient two-phase flows in a component of a nuclear reactor

Nuclear Reactor Component Code CUPID-I: Numerical Scheme and Preliminary Assessment Results

Energy Technology Data Exchange (ETDEWEB)

Cho, Hyoung Kyu; Jeong, Jae Jun; Park, Ik Kyu; Kim, Jong Tae; Yoon, Han Young

2007-12-15

A component scale thermal hydraulic analysis code, CUPID (Component Unstructured Program for Interfacial Dynamics), is being developed for the analysis of components of a nuclear reactor, such as reactor vessel, steam generator, containment, etc. It adopted three-dimensional, transient, two phase and three-field model. In order to develop the numerical schemes for the three-field model, various numerical schemes have been examined including the SMAC, semi-implicit ICE, SIMPLE, Row Scheme and so on. Among them, the ICE scheme for the three-field model was presented in the present report. The CUPID code is utilizing unstructured mesh for the simulation of complicated geometries of the nuclear reactor components. The conventional ICE scheme that was applied to RELAP5 and COBRA-TF, therefore, were modified for the application to the unstructured mesh. Preliminary calculations for the unstructured semi-implicit ICE scheme have been conducted for a verification of the numerical method from a qualitative point of view. The preliminary calculation results showed that the present numerical scheme is robust and efficient for the prediction of phase changes and flow transitions due to a boiling and a flashing. These calculation results also showed the strong coupling between the pressure and void fraction changes. Thus, it is believed that the semi-implicit ICE scheme can be utilized for transient two-phase flows in a component of a nuclear reactor.

AR-NE3A, a New Macromolecular Crystallography Beamline for Pharmaceutical Applications at the Photon Factory

International Nuclear Information System (INIS)

Yamada, Yusuke; Hiraki, Masahiko; Sasajima, Kumiko; Matsugaki, Naohiro; Igarashi, Noriyuki; Kikuchi, Takashi; Mori, Takeharu; Toyoshima, Akio; Kishimoto, Shunji; Wakatsuki, Soichi; Amano, Yasushi; Warizaya, Masaichi; Sakashita, Hitoshi

2010-01-01

Recent advances in high-throughput techniques for macromolecular crystallography have highlighted the importance of structure-based drug design (SBDD), and the demand for synchrotron use by pharmaceutical researchers has increased. Thus, in collaboration with Astellas Pharma Inc., we have constructed a new high-throughput macromolecular crystallography beamline, AR-NE3A, which is dedicated to SBDD. At AR-NE3A, a photon flux up to three times higher than those at existing high-throughput beams at the Photon Factory, AR-NW12A and BL-5A, can be realized at the same sample positions. Installed in the experimental hutch are a high-precision diffractometer, fast-readout, high-gain CCD detector, and sample exchange robot capable of handling more than two hundred cryo-cooled samples stored in a Dewar. To facilitate high-throughput data collection required for pharmaceutical research, fully automated data collection and processing systems have been developed. Thus, sample exchange, centering, data collection, and data processing are automatically carried out based on the user's pre-defined schedule. Although Astellas Pharma Inc. has a priority access to AR-NE3A, the remaining beam time is allocated to general academic and other industrial users.

SPANISH MULTICENTRIC STUDY ABOUT NUTRITION-INFLAMATIONhn WITH MID DILUTION (ENIMID STUDY: PRELIMINARY RESULTS

Directory of Open Access Journals (Sweden)

Barril G

2012-06-01

CONCLUSIONS: 1-The preliminary results show that MidDilution provides a good removal of small and middle molecules, increases appetite by providing a proper balance of cytokines through stimulation of antiinflamatory ones and neuropeptide Y. 2-It provides an improvement of body composition. Finally MidDilution improves nutritional parameters which leads to a better quality of life, as well as physical and mental status.

Preliminary results from the Orbiting Solar Observatory 8 - Observations of optically thin lines

Science.gov (United States)

Shine, R. A.; Roussel-Dupre, D.; Bruner, E. C., Jr.; Chipman, E. G.; Lites, B. W.; Rottman, G. J.; Athay, R. G.; White, O. R.

1976-01-01

The University of Colorado spectrometer aboard OSO 8 has measured the high temperature C IV resonance lines (at 1548 and 1551 A) and the Si IV resonance lines (at 1393 and 1402 A) formed in the solar chromosphere-corona transition region. Preliminary results include studies of mean profiles, a comparison of cell and network profiles, and the behavior of the lines at the extreme solar limb.

Preliminary results from a study of the double beta decay of 150Nd

International Nuclear Information System (INIS)

Perillo, I.M.C.; Chan, Y.D.; Hurley, D.; Lesko, K.T.; McDonald, R.J.; Moorhead, M.E.; Norman, E.B.; Smith, A.R.; Stokstad, R.G.

1996-01-01

We report the preliminary results from a study of the double beta decay of 150 Nd to the first 0 + excited state of 150 Sm. Our data consists of 50 days of counting 5 kg of natural Nd 2 O 3 at the LBNL-Oroville low background facility. The deduced lower limit for the half life of this decay mode is 4.9.10 19 years. (orig.)

76 FR 26247 - Magnesium Metal From the Russian Federation: Preliminary Results of Antidumping Duty...

Science.gov (United States)

2011-05-06

... to represent the total net realizable value (NRV) of raw magnesium, it used this value as the offset... AVISMA did not make sales to the United States at less than normal value. If these preliminary results... Than Fair Value: Pure Magnesium in Granular Form From the People's Republic of China, 66 FR 49345...

Proceedings of the 42nd basic science seminar. (The 7th workshop on neutron crystallography in biology)

International Nuclear Information System (INIS)

Niimura, Nobuo

1996-02-01

42nd advanced science seminar (the 7th workshop on neutron crystallography in biology) was held on October, 25-26, 1995 at Tokai. Forty three participants from university, research institute and private company took part in the workshop and there were 17 lectures given. The proceedings collect the figures and tables which the speakers used in their lectures. (author)

Solvent minimization induces preferential orientation and crystal clustering in serial micro-crystallography on micro-meshes, in situ plates and on a movable crystal conveyor belt.

Science.gov (United States)

Soares, Alexei S; Mullen, Jeffrey D; Parekh, Ruchi M; McCarthy, Grace S; Roessler, Christian G; Jackimowicz, Rick; Skinner, John M; Orville, Allen M; Allaire, Marc; Sweet, Robert M

2014-11-01

X-ray diffraction data were obtained at the National Synchrotron Light Source from insulin and lysozyme crystals that were densely deposited on three types of surfaces suitable for serial micro-crystallography: MiTeGen MicroMeshes™, Greiner Bio-One Ltd in situ micro-plates, and a moving kapton crystal conveyor belt that is used to deliver crystals directly into the X-ray beam. 6° wedges of data were taken from ∼100 crystals mounted on each material, and these individual data sets were merged to form nine complete data sets (six from insulin crystals and three from lysozyme crystals). Insulin crystals have a parallelepiped habit with an extended flat face that preferentially aligned with the mounting surfaces, impacting the data collection strategy and the design of the serial crystallography apparatus. Lysozyme crystals had a cuboidal habit and showed no preferential orientation. Preferential orientation occluded regions of reciprocal space when the X-ray beam was incident normal to the data-collection medium surface, requiring a second pass of data collection with the apparatus inclined away from the orthogonal. In addition, crystals measuring less than 20 µm were observed to clump together into clusters of crystals. Clustering required that the X-ray beam be adjusted to match the crystal size to prevent overlapping diffraction patterns. No additional problems were encountered with the serial crystallography strategy of combining small randomly oriented wedges of data from a large number of specimens. High-quality data able to support a realistic molecular replacement solution were readily obtained from both crystal types using all three serial crystallography strategies.

SPring-8 Structural Biology Beamlines / Current Status of Public Beamlines for Protein Crystallography at SPring-8

International Nuclear Information System (INIS)

Kawamoto, Masahide; Hasegawa, Kazuya; Shimizu, Nobutaka; Sakai, Hisanobu; Shimizu, Tetsuya; Nisawa, Atsushi; Yamamoto, Masaki

2007-01-01

SPring-8 has 2 protein crystallography beamlines for public use, BL38B1 (Structural Biology III) and BL41XU (Structural Biology I). The BL38B1 is a bending magnet beamline for routine data collection, and the BL41XU is an undulator beamline specially customized for micro beam and ultra-high resolutional experiment. The designs and the performances of each beamline are presented

One-dimensional curved wire chamber for powder x-ray crystallography

International Nuclear Information System (INIS)

Ortendahl, D.; Perez-Mendez, V.; Stoker, J.; Beyermann, W.

1978-01-01

A xenon filled single anode wire chamber with delay line readout has been constructed for use in powder x-ray crystallography using 8 to 20 keV x-rays. The entire chamber including the anode wire and the delay line which forms part of the cathode plane is a section of a circular arc whose center is the powder specimen. The anode wire--38 μm gold-plated tungsten--is suspended in a circular arc by the interaction of a current flowing through it and magnetic field provided by two permanent magnets, above and below the wire, extending along the active length of the chamber. When filled with xenon to 3 atmospheres the chamber has uniform sensitivity in excess of 80% at 8 keV and a spatial resolution better than 0.3 mm

Finite-element model evaluation of barrier configurations to reduce infiltration into waste-disposal structures: preliminary results and design considerations

International Nuclear Information System (INIS)

Lu, A.H.; Phillips, S.J.; Adams, M.R.

1982-09-01

Barriers to reduce infiltration into waste burial disposal structures (trenches, pits, etc.) may be required to provide adequate waste confinement. The preliminary engineering design of these barriers should consider interrelated barrier performance factors. This paper summarizes preliminary computer simulation activities to further engineering barrier design efforts. Several barrier configurations were conceived and evaluated. Models were simulated for each barrier configuration using a finite element computer code. Results of this preliminary evaluation indicate that barrier configurations, depending on their morphology and materials, may significantly influence infiltration, flux, drainage, and storage of water through and within waste disposal structures. 9 figures

The evaluation of GL impact in Physical sciences using bibliometric indicators : preliminary results

OpenAIRE

Di Cesare, Rosa (CNR); GreyNet, Grey Literature Network Service

1994-01-01

A bibliometric study of the Italian grey literature in SIGLE database. Preliminary results. Given the increasing importance of Grey Literature (GL) for the information and documentation field, it is essential to apply a bibliometric analysis similar to the one widely used for the conventional literature. Study objectives: 1) impact evalutation of grey literature in physical sciences; and 2) differentiation between scientific and non scientific grey literature documents in the same discipline,...

78 FR 7395 - Stainless Steel Bar From India: Preliminary Results of Antidumping Duty Administrative Review...

Science.gov (United States)

2013-02-01

... DEPARTMENT OF COMMERCE International Trade Administration [A-533-810] Stainless Steel Bar From... steel bar (SSB) from India. The period of review (POR) is February 1, 2011, through January 31, 2012... Preliminary Results of Antidumping Duty Administrative Review: Stainless Steel Bar from India'' dated...

Tissue characterization using magnetic resonance elastography: preliminary results

International Nuclear Information System (INIS)

Kruse, S.A.; Smith, J.A.; Lawrence, A.J.; Dresner, M.A.; Manduca, A.; Greenleaf, J.F.; Ehman, R.L.

2000-01-01

The well-documented effectiveness of palpation as a diagnostic technique for detecting cancer and other diseases has provided motivation for developing imaging techniques for non-invasively evaluating the mechanical properties of tissue. A recently described approach for elasticity imaging, using propagating acoustic shear waves and phase-contrast MRI, has been called magnetic resonance elastography (MRE). The purpose of this work was to conduct preliminary studies to define methods for using MRE as a tool for addressing the paucity of quantitative tissue mechanical property data in the literature. Fresh animal liver and kidney tissue specimens were evaluated with MRE at multiple shear wave frequencies. The influence of specimen temperature and orientation on measurements of stiffness was studied in skeletal muscle. The results demonstrated that all of the materials tested (liver, kidney, muscle and tissue-simulating gel) exhibit systematic dependence of shear stiffness on shear rate. These data are consistent with a viscoelastic model of tissue mechanical properties, allowing calculation of two independent tissue properties from multiple-frequency MRE data: shear modulus and shear viscosity. The shear stiffness of tissue can be substantially affected by specimen temperature. The results also demonstrated evidence of shear anisotropy in skeletal muscle but not liver tissue. The measured shear stiffness in skeletal muscle was found to depend on both the direction of propagation and polarization of the shear waves. (author)

Choice and maintenance of equipment for electron crystallography.

Science.gov (United States)

Mills, Deryck J; Vonck, Janet

2013-01-01

The choice of equipment for an electron crystallography laboratory will ultimately be determined by the available budget; nevertheless, the ideal lab will have two electron microscopes: a dedicated 300 kV cryo-EM with a field emission gun and a smaller LaB(6) machine for screening. The high-end machine should be equipped with photographic film or a very large CCD or CMOS camera for 2D crystal data collection; the screening microscope needs a mid-size CCD for rapid evaluation of crystal samples. The microscope room installations should provide adequate space and a special environment that puts no restrictions on the collection of high-resolution data. Equipment for specimen preparation includes a carbon coater, glow discharge unit, light microscope, plunge freezer, and liquid nitrogen containers and storage dewars. When photographic film is to be used, additional requirements are a film desiccator, dark room, optical diffractometer, and a film scanner. Having the electron microscopes and ancillary equipment well maintained and always in optimum condition facilitates the production of high-quality data.

Preliminary experimental results from a linear reciprocating magnetic refrigerator prototype

International Nuclear Information System (INIS)

Tagliafico, Luca Antonio; Scarpa, Federico; Valsuani, Federico; Tagliafico, Giulio

2013-01-01

A linear reciprocating magnetic refrigerator prototype was designed and built with the aid of an industrial partner. The refrigerator is based on the Active Magnetic Regenerative cycle, and exploits two regenerators working in parallel. The active material is Gadolinium in plates, 0.8 mm thick, for a total mass of 0.36 kg. The device is described and results about magnetic field and temperature span measurements are presented. The designed permanent magnet structure, based on an improved cross-type arrangement, generates a maximum magnetic field intensity of 1.55 T in air, over a gap of (13 × 50 × 100) mm 3 . The maximum temperature span achieved is 5.0 K, in a free run condition. -- Highlights: ► We give preliminary results from a linear reciprocating magnetic refrigerator prototype. ► The design is intended to process visualization and investigation. ► The prototype behavior gives us various suggestions to improve its general performance

Archaeogeophysical investigations in Tiwanaku: preliminary results

Science.gov (United States)

Masini, Nicola; Sileo, Maria; Lasaponara, Rosa; Leucci, Giovanni; Orefici, Giuseppe; Rizzo, Enzo

2017-04-01

-1450) Tiwanaku was characterized by the resurgence of regional identities and polities In spite of the rich archaeological record numerous issues, related to the function and the extension of Tiwanaku, need to be investigated especially in the monumental core which includes the pyramid of Akapana, and other ceremonial places such Kalasasaya, Putuni and Kantatallita. To this aims some geophysical investigations were performed in 2009 and 2014 in the context of multidisciplinary research including the use of satellite remote sensing [8]. This paper deals with the discussion of preliminary results of geomagnetic and GPR investigations, some of which have been verified by trial archaeological excavations which have unearthed some buried structures, improving the knowledge of the ceremonial areas of Tiwanaku. References [1] Lasaponara R., Leucci G., Masini N., Persico R., Scardozzi G., Towards an operative use of remote sensing for exploring the past using satellite data: The case study of Hierapolis (Turkey), Remote sensing of Environment, 174 (2016) : 148-164, doi:10.1016/j.rse.2015.12.016 [2] Masini N., Lasaponara R., Rizzo E., Orefici G. 2012. Integrated Remote Sensing Approach in Cahuachi (Peru): Studies and Results of the ITACA Mission (2007-2010), In: Lasaponara R., Masini N. (Eds) 2012, Satellite Remote Sensing: a new tool for Archaeology, Springer, Verlag Berlin Heidelberg, ISBN 978-90-481-8800-0, doi: 10.1007/978-90-481-8801-7_14; pp. 307-344 [3] Rizzo E., Masini N., Lasaponara R., Orefici G. 2010, ArchaeoGeophysical methods in the Templo del Escalonado (Cahuachi, Nasca, Perù), Near Surface Geophysics 8 (5), 433-439, doi:10.3997/1873-0604.2010030 [4] Masini N., Rizzo E., Lasaponara R., and Orefici G. 2008, Integrated remote sensing techniques for the detection of buried archaeological adobe structures: preliminary results in Cahuachi (Peru), Advances in Geosciences, 19, 75-82 [5] Lasaponara R., Leucci G., Masini N., Persico R. 2014. Investigating archaeological looting

The application of tailor-made force fields and molecular dynamics for NMR crystallography: a case study of free base cocaine

DEFF Research Database (Denmark)

Li, Xiaozhou; Neumann, Marcus A.; van de Streek, Jacco

2017-01-01

of a fully automatically generated tailor-made force field (TMFF) for the dynamic aspects of NMR crystallography is evaluated and compared with existing benchmarks, including static dispersion-corrected density functional theory calculations and the COMPASS force field. The crystal structure of free base...

Preliminary results on the cryogenic target for FIREX project

International Nuclear Information System (INIS)

Iwamoto, A.; Maekawa, R.; Mito, T.; Okamoto, M.; Motojima, O.; Nakai, M.; Norimatsu, T.; Nagai, K.

2006-01-01

Preliminary tests on the cryogenic target for the fast ignition realization experiment (FIREX) project has been conducted. A foam shell method is proposed to realize its target design. A foam target consists of three parts: a foam shell, a conical laser guide and a liquid or gas feeder made of glass. The shell is a hollow sphere (500 μm in diameter) with a uniform and thin foam layer (about 20 μm in thickness). Epoxy resin is utilized to assemble the parts into the target. Liquid fuel is fed into the shell by the feeder and is soaked up by the foam material through capillarity. The fuel is then solidified. Regarding target fabrication, one of the concerns is the influence on various thermal contractions from the different materials when it is cooled down to cryogenic environment. This paper describes the result on the validity check at cryogenic environment and the demonstration of H 2 liquefaction using a dummy target instead of the foam target. Judging from these results, the target assembled in the same process as the dummy target is sure to be practicable for the FIREX project. (authors)

WISE/NEOWISE OBSERVATIONS OF THE JOVIAN TROJANS: PRELIMINARY RESULTS

International Nuclear Information System (INIS)

Grav, T.; Mainzer, A. K.; Bauer, J.; Masiero, J.; Eisenhardt, P. R. M.; Blauvelt, E.; DeBaun, E.; Elsbury, D.; Gautier, T. IV; Gomillion, S.; Hand, E.; Wilkins, A.; Spahr, T.; McMillan, R. S.; Walker, R.; Cutri, R.; Wright, E.

2011-01-01

We present the preliminary analysis of over 1739 known and 349 candidate Jovian Trojans observed by the NEOWISE component of the Wide-field Infrared Survey Explorer (WISE). With this survey the available diameters, albedos, and beaming parameters for the Jovian Trojans have been increased by more than an order of magnitude compared to previous surveys. We find that the Jovian Trojan population is very homogenous for sizes larger than ∼10 km (close to the detection limit of WISE for these objects). The observed sample consists almost exclusively of low albedo objects, having a mean albedo value of 0.07 ± 0.03. The beaming parameter was also derived for a large fraction of the observed sample, and it is also very homogenous with an observed mean value of 0.88 ± 0.13. Preliminary debiasing of the survey shows that our observed sample is consistent with the leading cloud containing more objects than the trailing cloud. We estimate the fraction to be N(leading)/N(trailing) ∼ 1.4 ± 0.2, lower than the 1.6 ± 0.1 value derived by Szabó et al.

Preliminary results on ocean dynamics from Skylab and their implications for future spacecraft

Science.gov (United States)

Hayes, J.; Pierson, W. J.; Cardone, V. J.

1975-01-01

The instrument aboard Skylab designated S193 - a combined passive and active microwave radar system acting as a radiometer, scatterometer, and altimeter - is used to measure the surface vector wind speeds in the planetary boundary layer over the oceans. Preliminary results corroborate the hypothesis that sea surface winds in the planetary boundary layer can be determined from satellite data. Future spacecraft plans for measuring a geoid with an accuracy up to 10 cm are discussed.

Conceptual design of novel IP-conveyor-belt Weissenberg-mode data-collection system with multi-readers for macromolecular crystallography. A comparison between Galaxy and Super Galaxy.

Science.gov (United States)

Sakabe, N; Sakabe, K; Sasaki, K

2004-01-01

Galaxy is a Weissenberg-type high-speed high-resolution and highly accurate fully automatic data-collection system using two cylindrical IP-cassettes each with a radius of 400 mm and a width of 450 mm. It was originally developed for static three-dimensional analysis using X-ray diffraction and was installed on bending-magnet beamline BL6C at the Photon Factory. It was found, however, that Galaxy was also very useful for time-resolved protein crystallography on a time scale of minutes. This has prompted us to design a new IP-conveyor-belt Weissenberg-mode data-collection system called Super Galaxy for time-resolved crystallography with improved time and crystallographic resolution over that achievable with Galaxy. Super Galaxy was designed with a half-cylinder-shaped cassette with a radius of 420 mm and a width of 690 mm. Using 1.0 A incident X-rays, these dimensions correspond to a maximum resolutions of 0.71 A in the vertical direction and 1.58 A in the horizontal. Upper and lower screens can be used to set the frame size of the recorded image. This function is useful not only to reduce the frame exchange time but also to save disk space on the data server. The use of an IP-conveyor-belt and many IP-readers make Super Galaxy well suited for time-resolved, monochromatic X-ray crystallography at a very intense third-generation SR beamline. Here, Galaxy and a conceptual design for Super Galaxy are described, and their suitability for use as data-collection systems for macromolecular time-resolved monochromatic X-ray crystallography are compared.

78 FR 32367 - Multilayered Wood Flooring From the People's Republic of China; Preliminary Results of...

Science.gov (United States)

2013-05-30

... From the People's Republic of China; Preliminary Results of Antidumping Duty New Shipper Review; 2011... duty order on multilayered wood flooring (``MLWF'') from the People's Republic of China (``PRC''). The period of review (``POR'') is May 26, 2011 through May 31, 2012. The review covers one exporter of...

Data processing in neutron protein crystallography using position-sensitive detectors

International Nuclear Information System (INIS)

Schoenborn, B.P.

1982-01-01

Neutrons provide a unique probe for localizing hydrogen atoms and for distinguishing hydrogen from deuterons. Hydrogen atoms largely determine the three-dimensional structure of proteins and are responsible for many catalytic reactions. The study of hydrogen bonding and hydrogen exchange will therefore give insight into reaction mechanisms and conformational fluctuations. In addition, neutrons provide the ability to distinguish N from C and O and to allow correct orientation of groups such as histidine and glutamine. To take advantage of these unique features of neutron crystallography, one needs accurate Fourier maps depicting atomic structure to a high precision. In this paper, techniques are described for minimizing error in the observed structure factors by optimizing data collection and analysis procedures. Special attention is given to subtraction of the high background associated with hydrogen-containing molecules, which produces a disproportionately large statistical error

X-ray crystallography, electrochemistry, spectral and thermal analysis of some tetradentate schiff base complexes and formation constant measurements

Czech Academy of Sciences Publication Activity Database

Asadi, Z.; Savarypour, N.; Dušek, Michal; Eigner, Václav

2017-01-01

Roč. 47, č. 11 (2017), s. 1501-1508 ISSN 2470-1556 R&D Projects: GA ČR(CZ) GA15-12653S Institutional support: RVO:68378271 Keywords : X-ray crystallography * transition metal Schiff base complexes * thermogravimetry * electrochemistry * formation constant measurements Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.)

Electron crystallography of organic pigments

International Nuclear Information System (INIS)

Boyce, G.

1997-10-01

The principle aim of this thesis is the detailing of the development and subsequent use of electron crystallographic techniques which employ the maximum entropy approach. An account is given of the electron microscope as a crystallographic instrument, along with the necessary theory involved. Also, an overview of the development of electron crystallography, as a whole, is given. This progresses to a description of the maximum entropy methodology and how use can be made of electron diffraction data in ab initio phasing techniques. Details are also given of the utilisation of image derived phases in the determination of structural information. Extensive examples are given of the use of the maximum entropy program MICE, as applied to a variety of structural problems. A particular area of interest covered by this thesis is regarding the solid state structure of organic pigments. A detailed structure review of both β-naphthol and acetoacetanilide pigments was undertaken. Information gained from this review was used as a starting point for the attempted structural elucidation of a related pigment, Barium Lake Red C. Details are given of the synthesis, electron microscope studies and subsequent ab initio phasing procedures applied in the determination of structural information on Barium Lake Red C. The final sections of this thesis detail electron crystallographic analyses of three quite different structures. Common to all was the use of maximum entropy methods, both for ab initio phasing and use of image derived phases. Overall, it is shown that electron crystallographic structure analyses using maximum entropy methods are successful using electron diffraction data and do provide distinct structural information even when significant perturbations to the data exist. (author)

Neutron beam-line shield design for the protein crystallography instrument at the Lujan Center

International Nuclear Information System (INIS)

Russell, G.J.; Pitcher, E.J.; Muhrer, G.; Ferguson, P.D.

2001-01-01

We have developed a very useful methodology for calculating absolute total (neutron plus gamma-ray) dose equivalent rates for use in the design of neutron beam line shields at a spallation neutron source. We have applied this technique to the design of beam line shields for several new materials science instruments being built at the Manuel Lujan Jr. Neutron Scattering Center. These instruments have a variety of collimation systems and different beam line shielding issues. We show here some specific beam line shield designs for the Protein Crystallography Instrument. (author)

Electron crystallography applied to the structure determination of Nb(Cu,Al,X) Laves phases.

Science.gov (United States)

Gigla, M; Lelatko, J; Krzelowski, M; Morawiec, H

2006-09-01

The presence of primary precipitates of the Laves phases considerably improves the mechanical properties and the resistance to thermal degradation of the high-temperature shape memory Cu-Al-Nb alloys. The structure analysis of the Laves phases was carried out on particles contained in the ternary and quaternary alloys as well on synthesized compounds related to the composition of the Nb(Cu,Al,X)(2) phase, where X = Ni, Co, Cr, Ti and Zr. The precise structure determination of the Laves phases was carried out by the electron crystallography method using the CRISP software.

Preliminary Results from Second Phase Sea Testing of the Wave Dragon Prototype Wave Energy Converter

DEFF Research Database (Denmark)

Soerensen, Hans Chr.; Tedd, James; Friis-Madsen, Erik

2006-01-01

In March 2006 the prototype Wave Dragon has been redeployed to a more energetic site in Nissum Bredning an inland sea in Western Denmark. This has followed a period of renovation of many aspects of the device which have resulted in 20% higher energy output. This paper describes the preliminary...

76 FR 26241 - Polyethylene Retail Carrier Bags From Thailand: Extension of Time Limit for Preliminary Results...

Science.gov (United States)

2011-05-06

... DEPARTMENT OF COMMERCE International Trade Administration [A-549-821] Polyethylene Retail Carrier Bags From Thailand: Extension of Time Limit for Preliminary Results of Antidumping Duty Administrative...) initiated an administrative review of the antidumping duty order on polyethylene retail carrier bags from...

DETECTION OF Helicobacter pylori IN GASTRIC MUCOSA OF SHEEP: PRELIMINARY RESULTS

Directory of Open Access Journals (Sweden)

A. Rella

2013-02-01

Full Text Available Helicobacter pylori is an organism widespread in humans and sometimes responsible for serious illnesses. It has been hypothesized the existence of animal reservoirs, and that the infection route by H. pylori involves multiple pathways including food-borne transmission as the microorganism has been detected from sheep, goat and cow milk. This work reports the preliminary results of a survey conducted in order to investigate the presence of H. pylori in gastric mucosa of sheep slaughtered in Apulia region (Italy employing a Nested Polymerase Chain Reaction (Nested-PCR assay for the detection of the phosphoglucosamine mutase gene (glmM, as screening method followed by conventional bacteriological isolation. Out of the 50 gastric mucosa samples examined, 3 (6% resulted positive for the presence of glmMgene, but at this time no strains were isolated. The results deserve further investigations to asses the role of ruminants as possible reservoirs of H. pylori.

Clustering procedures for the optimal selection of data sets from multiple crystals in macromolecular crystallography.

Science.gov (United States)

Foadi, James; Aller, Pierre; Alguel, Yilmaz; Cameron, Alex; Axford, Danny; Owen, Robin L; Armour, Wes; Waterman, David G; Iwata, So; Evans, Gwyndaf

2013-08-01

The availability of intense microbeam macromolecular crystallography beamlines at third-generation synchrotron sources has enabled data collection and structure solution from microcrystals of structure. The associated analysis and merging of multi-crystal data is currently a manual and time-consuming step. Here, a computer program, BLEND, that has been written to assist with and automate many of the steps in this process is described. It is demonstrated how BLEND has successfully been used in the solution of a novel membrane protein.

Preliminary research results for parameter diagnostics of intense pulsed ion beams

International Nuclear Information System (INIS)

Yang Hailiang; Qiu Aici; Sun Jianfeng; He Xiaoping; Tang Junping; Wang Haiyang; Li Jingya; Ren Shuqing; Huang Jianjun; Zhang Jiasheng; Peng Jianchang; Ouyang Xiaoping; Zhang Guoguang; Li Hongyu

2004-01-01

The preliminary experimental results for parameter diagnostics of intense pulsed ion beams from the FLASH II accelerator were reported. The ion number of an intense pulsed ion beam were experimentally determined by monitoring delayed radioactivity from protons induced nuclear reactions in a 12 C target. The prompt γ-rays and diode Bremsstrahlung X-rays were measured with PIN semi-conductor detector and a ST401 plastic scintillator detector. The Bremsstrahlung distribution outside of the drift tube was detected with a thermoluminescent detector and the shielding design was also determined. The current densities of beam were measured with biased ion collector array. The ion beams were also recorded with a CR-39 detector. (author)

Preliminary results in double cusp tandem mirror MM-4U

International Nuclear Information System (INIS)

Ming Linzhou; Tian Zhongyu; Feng Xiaozhen

1990-10-01

MM-4U device and preliminary experimental results are presented. Main results are as follows: The plasma has been produced by means of the injection of strong electron current; the axial profile of the plasma potential and the plasma electron density have been obtained respectively, they had a simular form; the plasma potential in the centre of the east cusp, the west cusp and the simple mirror; V e = -180V, V w = -164V, V m -1.8V; the electron density: n e = 1.7 x 10 11 cm -3 , n w = 4.7 x 10 10 cm -3 , n m = 7.5 x 10 7 cm -3 ; the electron temperature: T e = (19.9 ± 1.6) eV, T w = (20.7 ± 1.7) eV; the plasma pressure at 8 cm on the right of the west cusp centre is about 6.76 Pa, β ≅ 1.7 x 10 -3 . The plasma instability has been observed in the simple mirror, its vibration frequency was 7∼9.2 kHz. The results are discussed. The next new task of the physical experiment are proposed

New large solar photocatalytic plant: set-up and preliminary results.

Science.gov (United States)

Malato, S; Blanco, J; Vidal, A; Fernández, P; Cáceres, J; Trincado, P; Oliveira, J C; Vincent, M

2002-04-01

A European industrial consortium called SOLARDETOX has been created as the result of an EC-DGXII BRITE-EURAM-III-financed project on solar photocatalytic detoxification of water. The project objective was to develop a simple, efficient and commercially competitive water-treatment technology, based on compound parabolic collectors (CPCs) solar collectors and TiO2 photocatalysis, to make possible easy design and installation. The design, set-up and preliminary results of the main project deliverable, the first European industrial solar detoxification treatment plant, is presented. This plant has been designed for the batch treatment of 2 m3 of water with a 100 m2 collector-aperture area and aqueous aerated suspensions of polycrystalline TiO2 irradiated by sunlight. Fully automatic control reduces operation and maintenance manpower. Plant behaviour has been compared (using dichloroacetic acid and cyanide at 50 mg l(-1) initial concentration as model compounds) with the small CPC pilot plants installed at the Plataforma Solar de Almería several years ago. The first results with high-content cyanide (1 g l(-1)) waste water are presented and plant treatment capacity is calculated.

The effect of parental involvement in CBT of anxious children: Preliminary results from a RCT study

DEFF Research Database (Denmark)

Esbjørn, Barbara Hoff; Breinholst, Sonja; Reinholdt-Dunne, Marie Louise

2011-01-01

Esbjørn, B. H., Breinholst, S., Reinholdt-Dunne, M. L., & Leth, I. (2011). The effect of parental involvement in CBT of anxious children: Preliminary results from a RCT study. Poster accepted for the Association for Behavioral and Cognitive Therapies, Toronto, Canada....

75 FR 25207 - Polyethylene Retail Carrier Bags From Malaysia: Extension of Time Limit for Preliminary Results...

Science.gov (United States)

2010-05-07

... polyethylene retail carrier bags from Malaysia for the period August 1, 2008, through July 31, 2009. See... DEPARTMENT OF COMMERCE International Trade Administration A-557-813 Polyethylene Retail Carrier Bags From Malaysia: Extension of Time Limit for Preliminary Results of Antidumping Duty Administrative...

Results of the Preliminary Test in the 1/4-Scale RCCS of the PMR200 VHTR

Energy Technology Data Exchange (ETDEWEB)

Kim, Jong-Hwan; Bae, Yoon-Yeong; Hong, Sung-Deok; Kim, Chan-Soo; Cho, Bong-Hyun; Kim, Min-Hwan [Nuclear Hydrogen Reactor Technology Development Dep., Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2014-10-15

The Reactor Cavity Cooling System (RCCS) is a key ex-vessel passive safety system that will ensure the safety of the PMR200, and its performance needs to be verified. For the difficulty of the full-scale test, a 1/4-scale RCCS facility, NACEF (Natural Cooling Experimental Facility), has been constructed at KAERI, and a shakedown test has been performed. A brief design and the preliminary test results of this facility are described. A 1/4-scale RCCS mockup of PMR200, NACEF, was constructed and tested preliminarily. The functioning of the facility worked quite well. Moreover, the preliminary test results show a fairly good agreement with past work except for the conductive heat transfer region in the riser bottom. After a remedy such as the installation of more precise flow meters and a more improved insulation, the test facility is likely to work well.

Precise Hypocenter Determination around Palu Koro Fault: a Preliminary Results

Science.gov (United States)

Fawzy Ismullah, M. Muhammad; Nugraha, Andri Dian; Ramdhan, Mohamad; Wandono

2017-04-01

Sulawesi area is located in complex tectonic pattern. High seismicity activity in the middle of Sulawesi is related to Palu Koro fault (PKF). In this study, we determined precise hypocenter around PKF by applying double-difference method. We attempt to investigate of the seismicity rate, geometry of the fault and distribution of focus depth around PKF. We first re-pick P-and S-wave arrival time of the PKF events to determine the initial hypocenter location using Hypoellipse method through updated 1-D seismic velocity. Later on, we relocated the earthquake event using double-difference method. Our preliminary results show the distribution of relocated events are located around PKF and have smaller residual time than the initial location. We will enhance the hypocenter location through updating of arrival time by applying waveform cross correlation method as input for double-difference relocation.

Preliminary Results of the Louisiana Sex Offender Treatment Program

OpenAIRE

Lee A. Underwood; Frances L.L. Dailey; Carrie Merino; Yolanda Crump

2015-01-01

The purpose of this study was to offer preliminary support for the Louisiana Sex Offender Treatment Program (LSOTP) in addressing the needs of juvenile sex offenders. Research objectives were (1) to offer statistical evidence for reductions in anxiety, depression, cognitive distortion and negative attitudes towards women comparing a group of 21 adolescents, 12 of whom received services as usual and nine of whom participated in the LSOTP. A controlled experimental evaluation design was utilize...

Solvent minimization induces preferential orientation and crystal clustering in serial micro-crystallography on micro-meshes, in situ plates and on a movable crystal conveyor belt

Energy Technology Data Exchange (ETDEWEB)

Soares, Alexei S., E-mail: soares@bnl.gov [Brookhaven National Laboratory, Upton, NY 11973 (United States); Mullen, Jeffrey D. [Brookhaven National Laboratory, Upton, NY 11973 (United States); University of Oregon, Eugene, OR 97403-1274 (United States); Parekh, Ruchi M. [Brookhaven National Laboratory, Upton, NY 11973 (United States); Suffolk County Community College, Selden, NY 11784 (United States); McCarthy, Grace S.; Roessler, Christian G.; Jackimowicz, Rick; Skinner, John M. [Brookhaven National Laboratory, Upton, NY 11973 (United States); Orville, Allen M. [Brookhaven National Laboratory, Upton, NY 11973 (United States); Brookhaven National Laboratory, Upton, NY 11973 (United States); Allaire, Marc [Brookhaven National Laboratory, Upton, NY 11973 (United States); Sweet, Robert M. [Brookhaven National Laboratory, Upton, NY 11973 (United States); Brookhaven National Laboratory, Upton, NY 11973 (United States)

2014-10-09

Strategies are described for optimizing the signal-to-noise of diffraction data, and for combining data from multiple crystals. One challenge that must be overcome is the non-random orientation of crystals with respect to one another and with respect to the surface that supports them. X-ray diffraction data were obtained at the National Synchrotron Light Source from insulin and lysozyme crystals that were densely deposited on three types of surfaces suitable for serial micro-crystallography: MiTeGen MicroMeshes™, Greiner Bio-One Ltd in situ micro-plates, and a moving kapton crystal conveyor belt that is used to deliver crystals directly into the X-ray beam. 6° wedges of data were taken from ∼100 crystals mounted on each material, and these individual data sets were merged to form nine complete data sets (six from insulin crystals and three from lysozyme crystals). Insulin crystals have a parallelepiped habit with an extended flat face that preferentially aligned with the mounting surfaces, impacting the data collection strategy and the design of the serial crystallography apparatus. Lysozyme crystals had a cuboidal habit and showed no preferential orientation. Preferential orientation occluded regions of reciprocal space when the X-ray beam was incident normal to the data-collection medium surface, requiring a second pass of data collection with the apparatus inclined away from the orthogonal. In addition, crystals measuring less than 20 µm were observed to clump together into clusters of crystals. Clustering required that the X-ray beam be adjusted to match the crystal size to prevent overlapping diffraction patterns. No additional problems were encountered with the serial crystallography strategy of combining small randomly oriented wedges of data from a large number of specimens. High-quality data able to support a realistic molecular replacement solution were readily obtained from both crystal types using all three serial crystallography strategies.

Solvent minimization induces preferential orientation and crystal clustering in serial micro-crystallography on micro-meshes, in situ plates and on a movable crystal conveyor belt

International Nuclear Information System (INIS)

Soares, Alexei S.; Mullen, Jeffrey D.; Parekh, Ruchi M.; McCarthy, Grace S.; Roessler, Christian G.; Jackimowicz, Rick; Skinner, John M.; Orville, Allen M.; Allaire, Marc; Sweet, Robert M.

2014-01-01

Strategies are described for optimizing the signal-to-noise of diffraction data, and for combining data from multiple crystals. One challenge that must be overcome is the non-random orientation of crystals with respect to one another and with respect to the surface that supports them. X-ray diffraction data were obtained at the National Synchrotron Light Source from insulin and lysozyme crystals that were densely deposited on three types of surfaces suitable for serial micro-crystallography: MiTeGen MicroMeshes™, Greiner Bio-One Ltd in situ micro-plates, and a moving kapton crystal conveyor belt that is used to deliver crystals directly into the X-ray beam. 6° wedges of data were taken from ∼100 crystals mounted on each material, and these individual data sets were merged to form nine complete data sets (six from insulin crystals and three from lysozyme crystals). Insulin crystals have a parallelepiped habit with an extended flat face that preferentially aligned with the mounting surfaces, impacting the data collection strategy and the design of the serial crystallography apparatus. Lysozyme crystals had a cuboidal habit and showed no preferential orientation. Preferential orientation occluded regions of reciprocal space when the X-ray beam was incident normal to the data-collection medium surface, requiring a second pass of data collection with the apparatus inclined away from the orthogonal. In addition, crystals measuring less than 20 µm were observed to clump together into clusters of crystals. Clustering required that the X-ray beam be adjusted to match the crystal size to prevent overlapping diffraction patterns. No additional problems were encountered with the serial crystallography strategy of combining small randomly oriented wedges of data from a large number of specimens. High-quality data able to support a realistic molecular replacement solution were readily obtained from both crystal types using all three serial crystallography strategies

Experimental-demonstrative system for energy conversion using hydrogen fuel cell - preliminary results

International Nuclear Information System (INIS)

Stoenescu, D.; Stefanescu, I.; Patularu, I.; Culcer, M.; Lazar, R.E.; Carcadea, E.; Mirica, D. . E-mail address of corresponding author: daniela@icsi.ro; Stoenescu, D.)

2005-01-01

It is well known that hydrogen is the most promising solution of future energy, both for long and medium term strategies. Hydrogen can be produced using many primary sources (natural gas, methane, biomass, etc.), it can be burned or chemically react having a high yield of energy conversion, being a non-polluted fuel. This paper presents the preliminary results obtained by ICSI Rm. Valcea in an experimental-demonstrative conversion energy system made by a sequence of hydrogen purification units and a CO removing reactors until a CO level lower than 10ppm, that finally feeds a hydrogen fuel stack. (author)

Head teacher professional networks in Italy: preliminary results of a national survey

Directory of Open Access Journals (Sweden)

Maurissens Isabel de

2016-06-01

Full Text Available In this article, we present the preliminary results of a national survey conducted by INDIRE on head teachers communities and professional networks. About one-fourth of the total population of Italian public school leaders participated in the survey. One of the main intents of this research is to contribute to understanding of the phenomenon of professional networks frequented by school leaders and to pave the way for a further reflection on how to use such networks for head teachers’ training so as to support their daily professional practice conducted too often in isolation.

Design and preliminary results of a fuel flexible industrial gas turbine combustor

Science.gov (United States)

Novick, A. S.; Troth, D. L.; Yacobucci, H. G.

1981-01-01

The design characteristics are presented of a fuel tolerant variable geometry staged air combustor using regenerative/convective cooling. The rich/quench/lean variable geometry combustor is designed to achieve low NO(x) emission from fuels containing fuel bound nitrogen. The physical size of the combustor was calculated for a can-annular combustion system with associated operating conditions for the Allison 570-K engine. Preliminary test results indicate that the concept has the potential to meet emission requirements at maximum continuous power operation. However, airflow sealing and improved fuel/air mixing are necessary to meet Department of Energy program goals.

Analysis of rainfall-induced shallow landslides in Jamne and Jaszcze stream valleys (Polish Carpathians – preliminary results

Directory of Open Access Journals (Sweden)

Zydroń Tymoteusz

2016-03-01

Full Text Available Analysis of rainfall-induced shallow landslides in Jamne and Jaszcze stream valleys (Polish Carpathians - preliminary results. Preliminary shallow landslide susceptibility mapping of the Jamne and Jaszcze stream valleys, located in the Polish Flysch Carpathians, is presented in the paper. For the purpose of mapping, there were used SINMAP and Iverson’s models integrating infiltration and slope stability calculations. The calibration of the used models parameters, obtained from limited field and laboratory tests, was performed using data from 8-9 July 1997, when as a consequence of a very intense rainfall, 94 shallow landslides were observed on meadows and arable lands. A comparison of the slope stability calculation results and the localisation of the noticed shallow landslides showed satisfactory agreement between localisation of the observed and computed unstable areas. However, it was concluded that better simulation results were obtained using Iverson’s model.

78 FR 2363 - Certain Cased Pencils From the People's Republic of China: Preliminary Results of Antidumping...

Science.gov (United States)

2013-01-11

... the People's Republic of China: Preliminary Results of Antidumping Duty Administrative Review and... Republic of China (``PRC''). The period of review (``POR'') is December 1, 2010, through November 30, 2011. The review covers one exporter of subject merchandise, Beijing Fila Dixon Stationery Company, Ltd. a...

78 FR 1834 - Magnesium Metal From the People's Republic of China: Preliminary Results of Antidumping Duty...

Science.gov (United States)

2013-01-09

... People's Republic of China: Preliminary Results of Antidumping Duty Administrative Review; 2011-2012... on magnesium metal from the People's Republic of China (``PRC''). The period of review (``POR'') is April 1, 2011, through March 31, 2012. This review covers one PRC company, Tianjin Magnesium...

Fracture toughness of irradiated candidate materials for ITER first wall/blanket structures: Preliminary results

International Nuclear Information System (INIS)

Alexander, D.J.; Pawel, J.E.; Grossbeck, M.L.; Rowcliffe, A.F.

1993-01-01

Candidate materials for first wall/blanket structures in ITER have been irradiated to damage levels of about 3 dpa at temperatures of either 60 or 250 degrees C. Preliminary results have been obtained for several of these materials irradiated at 60 degrees C. The results show that irradiation at this temperature reduces the fracture toughness of austenitic stainless steels, but the toughness remains quite high. The unloading compliance technique developed for the subsize disk compact specimens works quite well, particularly for materials with lower toughness. Specimens of materials with very high toughness deform excessively, and this results in experimental difficulties

Sealing a nuclear waste repository in Columbia river basalt: preliminary results

International Nuclear Information System (INIS)

Hodges, F.N.

1980-01-01

The long containment time required of repositories for nuclear waste (10 4 to 10 6 years) requires that materials used for repository seals be stable in the geologic environment of the repository and of proven longevity. A list of candidate materials for sealing a repository in Columbia River Basalts has been prepared and refined through laboratory testing. The most feasible techniques for emplacing preferred plug materials have been identified and the resultant plugs have been evaluated on the basis of design functions. Preconceptual designs for tunnel, shaft, and borehole seals consist of multiple zone plugs with each zone fulfilling one or more design functions. Zones of disturbed rock around tunnels and shafts, resulting from excavation and subsequent stress release, are zones of higher permeability and of possible fluid migration. In preliminary designs the disturbed zones are blocked by cut-off collars filled with low permeability materials

Preliminary results on a 4 kJ, 140 k A plasma focus

International Nuclear Information System (INIS)

Silva, Patricio; Favre, Mario; Chuaqui, Hernan; Wyndham, Edmund

1996-01-01

Preliminary results on the operation of a 4 kJ, 140 kA Plasma Focus device are presented. The machine operates Hydrogen and Hydrogen-Argon mixtures at pressures between 400 m Torr to 10 Torr. Main diagnostics include electric and current measurements, time and space resolved X-ray observations, with limited spectral resolution, and B-dot sensors to monitor the evolution of de current sheet during the run up phase of the discharge. The results indicate that good focus is obtained in the above pressure range. This is inferred from I-dot traces and Pin diode and pin-hole camera X-ray observations. The B-dot loops suggest that a symmetric current sheet is produced. These results show that the machine exhibits a reliable performance, which allows further studies on dense transient plasmas to be developed. (author)

Introducing handheld computing into a residency program: preliminary results from qualitative and quantitative inquiry.

OpenAIRE

Manning, B.; Gadd, C. S.

2001-01-01

Although published reports describe specific handheld computer applications in medical training, we know very little yet about how, and how well, handheld computing fits into the spectrum of information resources available for patient care and physician training. This paper reports preliminary quantitative and qualitative results from an evaluation study designed to track changes in computer usage patterns and computer-related attitudes before and after introduction of handheld computing. Pre...

77 FR 73422 - Seamless Refined Copper Pipe and Tube From Mexico: Preliminary Results of Antidumping Duty...

Science.gov (United States)

2012-12-10

... Refined Copper Pipe and Tube From Mexico and the People's Republic of China: Antidumping Duty Orders and... and Tube From Mexico: Preliminary Results of Antidumping Duty Administrative Review; 2010-2011 AGENCY... on seamless refined copper pipe and tube from Mexico. The review covers two producers/ exporters of...

78 FR 6069 - Laminated Woven Sacks From the People's Republic of China: Preliminary Results of Antidumping...

Science.gov (United States)

2013-01-29

... the People's Republic of China: Preliminary Results of Antidumping Duty Administrative Review; 2011... antidumping duty order on laminated woven sacks (``sacks'') from the People's Republic of China (``PRC''). The period of review (``POR'') is August 1, 2011, through July 31, 2012. The review covers one exporter of...

Uranium and thorium recovery in thorianite ore-preliminary results

Energy Technology Data Exchange (ETDEWEB)

Gaiotte, Joao V.M. [Universidade Federal de Alfenas, Pocos de Caldas, MG (Brazil); Villegas, Raul A.S.; Fukuma, Henrique T., E-mail: rvillegas@cnen.gov.br, E-mail: htfukuma@cnen.gov.br [Comissao Nacional de Energia Nuclear (CNEN), Pocos de Caldas, MG (Brazil). Lab. de Pocos de Caldas

2011-07-01

This work presents the preliminary results of the studies aiming to develop a hydrometallurgical process to produce uranium and thorium concentrates from thorianite ore from Amapa State, Brazil. This process comprises two major parts: acid leaching and Th/U recovery using solvent extraction strategies. Thorianite ore has a typical composition of 60 - 70% of thorium, 8 - 10% lead and 7 - 10% uranium. Sulfuric acid leaching operational conditions were defined as follows: acid/ore ratio 7.5 t/t, ore size below 65 mesh (Tyler), 2 hours leaching time and temperature of 100 deg C. Leaching tests results showed that uranium and thorium recovery exceeded 95%, whereas 97% of lead ore content remained in the solid form. Uranium and thorium simultaneous solvent extraction is necessary due to high sulfate concentration in the liquor obtained from leaching, so the Primene JM-T primary anime was used for this extraction step. Aqueous raffinate from extraction containing sulfuric acid was recycled to the leaching step, reducing acid uptake around 60%, to achieve a net sulfuric acid consumption of 3 t/t of ore. Uranium and thorium simultaneous stripping was performed using sodium carbonate solution. In the aqueous stripped it was added sulfuric acid at pH 1.5, followed by a second solvent extraction step using the tertiary amine Alamine 336. The following stripping step was done with a solution of sodium chloride, resulting in a final solution of 23 g L-1 uranium. (author)

Preliminary results from the Chicago air shower array and the Michigan muon array

International Nuclear Information System (INIS)

Krimm, H.A.; Cronin, J.W.; Fick, B.E.; Gibbs, K.G.; Mascarenhas, N.C.; McKay, T.A.; Mueller, D.; Newport, B.J.; Ong, R.A.; Rosenberg, L.J.; Wiedenbeck, M.E.; Green, K.D.; Matthews, J.; Nitz, D.; Sinclair, D.; van der Velde, J.C.

1991-01-01

The Chicago Air Shower Array (CASA) is a large area surface array designed to detect extensive air showers (EAS) produced by primaries with energy ∼100 TeV. It operates in coincidence with the underground Michigan Muon Array (MIA). Preliminary results are presented from a search for steady emission and daily emission from three astrophysical sources: Cygnus X-3, Hercules X-1, and the Crab nebula and pulsar. There is no evidence for a significant signal from any of these sources in the 1989 data

Thermoluminescent dosemeters characterization for patient dosimetry in diagnostic radiology preliminary results

International Nuclear Information System (INIS)

Castro, William J.; Squair, Peterson L.; Gonzaga, Natalia B.; Nogueira, Maria S.; Silva, Teogenes A. da

2009-01-01

The determination of the metrological characteristics of thermoluminescent (TL) dosimeters plays an important role in dosimetry of patients submitted to x-ray examinations for diagnostic purpose. Entrance surface doses can be measured with TL dosimeters to verify the compliance with the diagnostic reference levels. Organ doses can be estimated through TL measurements in an anthropomorphic phantom which it allows the radiation risk assessment. In this work, LiF:Mg,Ti (TLD-100) rod and chip thermoluminescent dosimeters were characterized considering their use for patient dosimetry in computerized tomography and mammography. Preliminary results showed that TL dosimeters have a response reproducibility of 7.8% and 4.8% and homogeneity of 18.4% and 6.5% for rod and chip shapes, respectively. (author)

Preliminary results on epidemiology of Coconut Lethal Yellowing in Ghana

Directory of Open Access Journals (Sweden)

Bonnot François

2009-03-01

Full Text Available Epidemiological studies are of major importance in understanding the determinants of plant diseases in order to control the risks of their spreading. A research programme on the epidemiology of coconut lethal yellowing, or Cape Saint Paul Wilt Disease (CSPWD, in Ghana was launched in March 2007. The objective was to characterize the distribution and spread of the disease in space and time at various scales, and their relation with the environment. This article presents the general strategy used to evaluate the incidence of CSPWD along with the environmental, ecological and agronomical variables at regional level. A survey was undertaken on 1,166 plots of Coconut Sector Development Project (CSDP planted with Malayan Yellow Dwarf (MYD × Vanuatu Tall (VTT hybrids in Western Region and Central Region. Preliminary results on the distribution of CSPWD and outside variables at regional scale, along with their relations, are given.

Structural dynamics of surfaces by ultrafast electron crystallography: experimental and multiple scattering theory.

Science.gov (United States)

Schäfer, Sascha; Liang, Wenxi; Zewail, Ahmed H

2011-12-07

Recent studies in ultrafast electron crystallography (UEC) using a reflection diffraction geometry have enabled the investigation of a wide range of phenomena on the femtosecond and picosecond time scales. In all these studies, the analysis of the diffraction patterns and their temporal change after excitation was performed within the kinematical scattering theory. In this contribution, we address the question, to what extent dynamical scattering effects have to be included in order to obtain quantitative information about structural dynamics. We discuss different scattering regimes and provide diffraction maps that describe all essential features of scatterings and observables. The effects are quantified by dynamical scattering simulations and examined by direct comparison to the results of ultrafast electron diffraction experiments on an in situ prepared Ni(100) surface, for which structural dynamics can be well described by a two-temperature model. We also report calculations for graphite surfaces. The theoretical framework provided here allows for further UEC studies of surfaces especially at larger penetration depths and for those of heavy-atom materials. © 2011 American Institute of Physics

78 FR 13321 - Silicon Metal From the People's Republic of China: Preliminary Results of Antidumping Duty...

Science.gov (United States)

2013-02-27

... People's Republic of China: Preliminary Results of Antidumping Duty Administrative Review; 2011-2012... administrative review of the antidumping duty order on silicon metal from the People's Republic of China (``PRC'') for the period of review (``POR'') June 1, 2011, through May 31, 2012. This review covers one PRC...

Tellurium in active volcanic environments: Preliminary results

Science.gov (United States)

Milazzo, Silvia; Calabrese, Sergio; D'Alessandro, Walter; Brusca, Lorenzo; Bellomo, Sergio; Parello, Francesco

2014-05-01

Tellurium is a toxic metalloid and, according to the Goldschmidt classification, a chalcophile element. In the last years its commercial importance has considerably increased because of its wide use in solar cells, thermoelectric and electronic devices of the last generation. Despite such large use, scientific knowledge about volcanogenic tellurium is very poor. Few previous authors report result of tellurium concentrations in volcanic plume, among with other trace metals. They recognize this element as volatile, concluding that volcanic gases and sulfur deposits are usually enriched with tellurium. Here, we present some results on tellurium concentrations in volcanic emissions (plume, fumaroles, ash leachates) and in environmental matrices (soils and plants) affected by volcanic emissions and/or deposition. Samples were collected at Etna and Vulcano (Italy), Turrialba (Costa Rica), Miyakejima, Aso, Asama (Japan), Mutnovsky (Kamchatka) at the crater rims by using common filtration techniques for aerosols (polytetrafluoroethylene filters). Filters were both eluted with Millipore water and acid microwave digested, and analyzed by inductively coupled plasma mass spectrometry (ICP-MS). Volcanic ashes emitted during explosive events on Etna and Copahue (Argentina) were analyzed for tellurium bulk composition and after leaching experiments to evaluate the soluble fraction of tellurium. Soils and leaves of vegetation were also sampled close to active volcanic vents (Etna, Vulcano, Nisyros, Nyiragongo, Turrialba, Gorely and Masaya) and investigated for tellurium contents. Preliminary results showed very high enrichments of tellurium in volcanic emissions comparing with other volatile elements like mercury, arsenic, thallium and bismuth. This suggests a primary transport in the volatile phase, probably in gaseous form (as also suggested by recent studies) and/or as soluble salts (halides and/or sulfates) adsorbed on the surface of particulate particles and ashes. First

Crystallization and preliminary crystallographic investigation of a low-pH native insulin monomer with flexible behaviour.

Science.gov (United States)

Zhang, Youshang; Whittingham, Jean L; Turkenburg, Johan P; Dodson, Eleanor J; Brange, Jens; Dodson, G Guy

2002-01-01

Insulin naturally aggregates as dimers and hexamers, whose structures have been extensively analysed by X-ray crystallography. Structural determination of the physiologically relevant insulin monomer, however, is an unusual challenge owing to the difficulty in finding solution conditions in which the concentration of insulin is high enough for crystallization yet the molecule remains monomeric. By utilizing solution conditions known to inhibit insulin assembly, namely 20% acetic acid, crystals of insulin in the monomeric state have been obtained. The crystals are strongly diffracting and a data set extending to 1.6 A has recently been collected. The crystals nominally belong to the space group I422, with unit-cell parameters a = b = 57.80, c = 54.61 A, giving rise to one molecule in the asymmetric unit. Preliminary electron-density maps show that whilst most of the insulin monomer is well ordered and similar in conformation to other insulin structures, parts of the B-chain C-terminus main chain adopt more than one conformation.

Crystallography and structure of lath martensite of hexagonal α-phase in zirconium

International Nuclear Information System (INIS)

Dobromyslov, A.V.; Talits, N.I.

1989-01-01

Crystallography, morphology and substructural features of lath martensite produced in zirconium after quenching are studied using transmission electron microscopy and electron diffraction methods. It is shown that all lathes in the package as a rule have close oreintation, but sometimes lathes are met which are present in a twin position in relation to neighbouring ones. In this case twining plane between the lathes coincides with α-phase [1011] plane. Residual β-phase between lathes is not preserved. It is detected that threi types of habitus planes of lath martensite of hexagonal α-phase are observed: [1010], [1120], [1011]. Atom-crystallographic mechanism of lattice reconstruction at β → α-phase lath habitus planes produced on its base coincide with the ones experimentally determined

Clustering procedures for the optimal selection of data sets from multiple crystals in macromolecular crystallography

Science.gov (United States)

Foadi, James; Aller, Pierre; Alguel, Yilmaz; Cameron, Alex; Axford, Danny; Owen, Robin L.; Armour, Wes; Waterman, David G.; Iwata, So; Evans, Gwyndaf

2013-01-01

The availability of intense microbeam macromolecular crystallography beamlines at third-generation synchrotron sources has enabled data collection and structure solution from microcrystals of sets from many crystals of the same protein structure. The associated analysis and merging of multi-crystal data is currently a manual and time-consuming step. Here, a computer program, BLEND, that has been written to assist with and automate many of the steps in this process is described. It is demonstrated how BLEND has successfully been used in the solution of a novel membrane protein. PMID:23897484

Preliminary Results of Autotuning GEMM Kernels for the NVIDIA Kepler Architecture- GeForce GTX 680

Energy Technology Data Exchange (ETDEWEB)

Kurzak, Jakub [Univ. of Tennessee, Knoxville, TN (United States); Luszczek, Pitor [Univ. of Tennessee, Knoxville, TN (United States); Tomov, Stanimire [Univ. of Tennessee, Knoxville, TN (United States); Dongarra, Jack [Univ. of Tennessee, Knoxville, TN (United States); Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Manchester (United Kingdom)

2012-04-01

Kepler is the newest GPU architecture from NVIDIA, and the GTX 680 is the first commercially available graphics card based on that architecture. Matrix multiplication is a canonical computational kernel, and often the main target of initial optimization efforts for a new chip. This article presents preliminary results of automatically tuning matrix multiplication kernels for the Kepler architecture using the GTX 680 card.

Development of a distress inventory for cancer: preliminary results.

Directory of Open Access Journals (Sweden)

Thomas B

2002-01-01

Full Text Available CONTEXT: Advances in cancer treatment have led to cure and prolongation of patients′ lives; however associated psychosocial problems, including distress, can detrimentally affect patients′ compliance with treatment and ultimately, their outcome. Symptom distress has been well addressed in many studies; however, psychological distress has only been quantified by using depression or anxiety scales/checklists or quality of life scales containing a distress sub scale/component or by the use of scales that are not psychological distress-specific. AIMS: The present study is an attempt to construct a psychological distress inventory for specific use with cancer patients. SETTINGS AND DESIGN: The standardisation sample consisted of 63 randomly selected patients with head and neck cancer who had undergone/ were undergoing curative treatment at the Regional Cancer Centre, Trivandrum. PATIENTS AND METHODS: The Distress Inventory for Cancer contained 57 positively and negatively toned items. An item analysis was conducted, followed by a factor analysis, thereby identifying the domains influencing distress. RESULTS: The final questionnaire contained 26 items subdivided into four domains viz. the personal, spiritual, physical, and the family domains, with each domain providing a sub score. The reliability coefficient (Cronbach′s alpha of the scale was found to be 0.85. CONCLUSIONS: These are the preliminary results of an ongoing study on global distress and tool development process. Reported here is the first step towards development of such tool.

Stokes polarimetry probe for skin lesion evaluation: preliminary results

Science.gov (United States)

Louie, Daniel C.; Tchvialeva, Lioudmilla; Kalia, Sunil; Lui, Harvey; Lee, Tim K.

2018-02-01

This paper reports on the design of a prototype in-vivo Stokes polarimetry probe for skin lesion evaluation, and preliminary results from skin phantom and clinical trials of this device. The probe releases a single millisecond-long pulse from a laser diode with either linear or circular polarization. It then captures the resulting backscattered far-field polarization speckle and calculates the Stokes parameters. This probe was designed with three novel innovations in mind. First, the Stokes vector is captured quickly, using low-cost components without the use of moving parts. Second, a compact collimated laser diode was used as the light source. Third, the device and detector geometry were designed to produce and capture a uniform speckle field. In the first clinical trial of this device, measurements were taken from a variety of skin lesions, both cancerous and benign. The Stokes vector was measured and used to calculate the degree of polarization (DOP), the azimuth angle, and the ellipticity angle of the polarization ellipse for two input light polarizations. Among other findings, the DOP for circular polarized input light was consistently lower than the DOP for linear polarized input light. These findings indicate the potential for a fast and low-cost in-vivo skin cancer screening tool, and encourages the continuing development of this probe's techniques.

Preliminary results from the U.S. participation in the 2000 Beam Park Experiment

Science.gov (United States)

Stansbery, Gene

2001-10-01

The United States participated in the 2000 Beam Park Experiment (BPE) conducted in late October, 2000 under the auspices of the Inter-Agency Space Debris Coordination Committee (IADC). The U.S. participated using several sensors which have participated in previous campaigns: Haystack, TRADEX, and COBRA DANE radars, and the Liquid Mirror Telescope. New to the BPE experiments this time are the GBR-P radar located at Kwajalein Atoll and the Haystack Auxiliary (HAX) radar located in Massachusetts. This paper will present and discuss preliminary results from each of the participating U.S. sensors.

Preliminary Results on the Experimental Investigation of the Structure Functions of Bound Nucleons

Energy Technology Data Exchange (ETDEWEB)

Bodek, Arie [Univ. of Rochester, NY (United States); Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)

2016-08-01

We present preliminary results on an experimental study of the nuclear modification of the longitudinal ($\\sigma_L$) and transverse ($\\sigma_T$) structure functions of nucleons bound in nuclear targets. The origin of these modifications (commonly referred as as the EMC effect) is not fully understood. Our measurements of R= $\\sigma_L / \\sigma_T$ for nuclei ($R_A$) and for deuterium ($R_D$) indicate that nuclear modifications of the structure functions of bound nucleons are different for the longitudinal and transverse structure functions, and that contrary to expectation from several theoretical models, $R_A< R_D$.

Preliminary results from a novel CVD diamond detector system for molecular imaging applications

International Nuclear Information System (INIS)

Mahon, A.R.

1996-01-01

A novel biomolecular imaging system incorporating a Chemical Vapour Deposition diamond detector is in development. The synthetic diamond is used as a UV detector to image nucleic acids in electrophoresis gels. The microstrip diamond detector currently has a spatial resolution of 30 μm. Preliminary results are presented which include: QE measurements of diamond detectors, detector time response, detector UV response and current detection limits of biomolecules in gel. The potential applications of the technology, and its significant advantages in speed and sensitivity over the current systems are discussed

Status of the digital pixel array detector for protein crystallography

CERN Document Server

Datte, P; Beuville, E; Endres, N; Druillole, F; Luo, L; Millaud, J E; Xuong, N H

1999-01-01

A two-dimensional photon counting digital pixel array detector is being designed for static and time resolved protein crystallography. The room temperature detector will significantly enhance monochromatic and polychromatic protein crystallographic through-put data rates by more than three orders of magnitude. The detector has an almost infinite photon counting dynamic range and exhibits superior spatial resolution when compared to present crystallographic phosphor imaging plates or phosphor coupled CCD detectors. The detector is a high resistivity N-type Si with a pixel pitch of 150x150 mu m, and a thickness of 300 mu m, and is bump bonded to an application specific integrated circuit. The event driven readout of the detector is based on the column architecture and allows an independent pixel hit rate above 1 million photons/s/pixel. The device provides energy discrimination and sparse data readout which yields minimal dead-time. This type of architecture allows a continuous (frameless) data acquisition, a f...

Synthesis, x-ray crystallography and leishmanicidal activity of benzimidazolinyl piperidine derivative

International Nuclear Information System (INIS)

Saify, Z.S.; Begum, N.; Yousuf, S.; Ashraf, S.

2014-01-01

Protozoan parasites of the Leishmania genus are the main cause of vector-borne disease leishmaniasis throughout the world. It is caused by at least 17 different species of protozoan Leishmania and transmitted by the bite of infected sand flies. Leishmaniasis could be fatal. Present drugs have limitations to cure it due to the development of drug resistance. Hence, to design an effective leishmanicidal agent would be of great interest. Benzimidazolinyl piperidine has served as potential target due to a vast range of biological activities. In the present study a new 4-(2-keto-1-benzimidazolinyl)piperidine derivative, 1-(2-(4-fluorophenyl)-2-oxoethyl)-4-(2-oxo-2,3-dihydro-1H-benzo(d)imidazol) piperidinium bromide has been synthesized and characterized by X-ray crystallography, 1D and 2D NMR spectroscopy. Evaluation by in vitro leishmanicidal assay showed good activity. (author)

ROUND-ROBIN ATOM-PROBE EXPERIMENT : PRELIMINARY RESULTS IN JAPAN

OpenAIRE

Nakamura , S.

1986-01-01

A round-robin experiment were to be carried out by 6 laboratories in Japan (Nishikawa ; Tokyo Inst. Tech., Sakurai and Igata ; Univ. of Tokyo, Ishikawa ; Hitachi, Tanino ; Nippon Steel Corp. and Nakamura ; Osaka Univ.) under the normal operating condition (T < l00 °K,. pulse fraction ~ 15% ~, P < 10-9 torr). Fe-Cr-Al and W-25%Re alloys, which are divided from a single wire were chosen as the specimen materials. A preliminary analysis of the W-Re alloy of the laboratory concerned show the good...

Use of the KineSpring system in the treatment of medial knee osteoarthritis: preliminary results.

Science.gov (United States)

Madonna, Vincenzo; Condello, Vincenzo; Piovan, Gianluca; Screpis, Daniele; Zorzi, Claudio

2015-01-01

the purpose of this study was to analyze our preliminary results obtained with the KineSpring system in patients suffering from medial compartment knee osteoarthritis (OA). between September 2012 and May 2014, 53 patients underwent treatment with the KineSpring system. Patient self-assessment was performed pre-operatively and at 3, 6 and 12 months postoperatively, and included the KOOS, Tegner activity score, Lysholm functional knee score, VAS knee pain score, and IKDC score. Device- and procedure-related adverse events were recorded. mean KOOS subscales, except for the Sport/Recreation subscale at six months, improved over time. Mean WOMAC Pain and Function domains, Lysholm score, IKDC score and VAS knee pain score improved over the follow-up period and were significantly improved at 3, 6 and 12 months postoperatively compared to baseline. Mean Tegner score improved slightly over time. In 5 of the 53 (9.4%) patients re-operation was necessary. In 3 patients the device was removed due to infection (one case) or persistent knee pain (two cases). Surgical arthrolysis was performed in two patients. in our preliminary experience, the KineSpring system gave good short-term clinical results. Level IV, therapeutic case series.

Using VIIRS Day/Night Band to Measure Electricity Supply Reliability: Preliminary Results from Maharashtra, India

Directory of Open Access Journals (Sweden)

Michael L. Mann

2016-08-01

Full Text Available Unreliable electricity supplies are common in developing countries and impose large socio-economic costs, yet precise information on electricity reliability is typically unavailable. This paper presents preliminary results from a machine-learning approach for using satellite imagery of nighttime lights to develop estimates of electricity reliability for western India at a finer spatial scale. We use data from the Visible Infrared Imaging Radiometer Suite (VIIRS onboard the Suomi National Polar Partnership (SNPP satellite together with newly-available data from networked household voltage meters. Our results point to the possibilities of this approach as well as areas for refinement. With currently available training data, we find a limited ability to detect individual outages identified by household-level measurements of electricity voltage. This is likely due to the relatively small number of individual outages observed in our preliminary data. However, we find that the approach can estimate electricity reliability rates for individual locations fairly well, with the predicted versus actual regression yielding an R2 > 0.5. We also find that, despite the after midnight overpass time of the SNPP satellite, the reliability estimates derived are representative of daytime reliability.

Preliminary Experimental Results for Indirect Vector-Control of Induction Motor Drives with Forced Dynamics

Directory of Open Access Journals (Sweden)

Jan Vittek

2003-01-01

Full Text Available The contribution presents an extension of indirect vector control of electric drives employing induction motors to 'Forced Dynamic Control'. This method of control offers an accurate realisation of dynamic response profiles, which can be selected by the user. The developed system can be integrated into a drive with a shaft position encoder or a shaft sensoriess drive, in which only the stator currents are measured. The applied stator voltages are determined by a computed inverter switching algorithm. Simulation results and preliminary experimental results for indirect vector control of an idle running induction motor indicate good agreement with the theoretical predictions.

Preliminary results of the first paleontologic investigations in Uruguayan Antarctica

International Nuclear Information System (INIS)

Perea, D.; Masquelin, E.; Verde, M.; Querequiz, R.

1998-01-01

Preliminary results of the first Uruguayan paleontollogic and biostratigraphical investigations in Antartica are presented. The field work was performed in fildes Peninsula, King George Island, near Uruguayan station Base Cientifica Antarctica Artigas.Some fossiliferous outcrops were geologic and paleontologically analyzed, among them Fossil Hills, situated in the center part of the peninsula, in front of Ardley Island, between the chinese and chilean stations.This hill is composed of fossil bearing piroclastic and epiclastic rocks, assigned to the fossil Hill Fm. Vegetal remains(petrified wood and leaf impronts) were observed and collected in this unit and it is remarkable the presence of Nothofagus sp. and invertebrate trace fossils, Cochlichmus isp and Helminthopsis isp.The depositional environment deduced from the fossil association in lacustrine, under a warm and humid climate.In the same deposits, other investigators have collected aquatic and ratite bird trace fossils. Paleontologic evidence is not contradictory with the Eocene age previously proposed for the studied deposits. (author)

Raman scattering investigation of the water-bridge phenomenon: Some preliminary results

Directory of Open Access Journals (Sweden)

Francesco Aliotta

2010-09-01

Full Text Available A floating water-bridge is formed if a high-voltage direct current is applied between two beakers filled of chemically pure water. Raman spectra of the OH-stretching region have been obtained at ambient condition of temperature and pressure. These preliminary results seem to indicate that the hydrogen-bond structure is only slightly modified by the presence of the electric field applied to form the floating water-bridge in agreement with recent neutron scattering investigation. In fact, the polarized Raman spectrum of the pure water and of the water-bridge is almost superimposable. We are planning to carry out further spectroscopic analysis, at different thermodynamic conditions, for better understanding the role played by the hydrogen-bond in driving the formation of the floating water-bridge.

75 FR 78968 - Magnesium Metal From the Russian Federation: Extension of Time Limit for Preliminary Results of...

Science.gov (United States)

2010-12-17

... DEPARTMENT OF COMMERCE International Trade Administration [A-821-819] Magnesium Metal From the Russian Federation: Extension of Time Limit for Preliminary Results of Antidumping Duty Administrative... administrative review of the antidumping duty order on magnesium metal from the Russian Federation for the period...

77 FR 11065 - Certain Pasta From Turkey: Extension of Time Limit for the Preliminary Results of the...

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2012-02-24

... DEPARTMENT OF COMMERCE International Trade Administration [C-489-806] Certain Pasta From Turkey: Extension of Time Limit for the Preliminary Results of the Countervailing Duty Administrative Review AGENCY... initiation of administrative review of the countervailing duty order on certain pasta from Turkey, covering...

77 FR 15718 - Certain Pasta from Italy: Extension of Time Limit for the Preliminary Results of the...

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2012-03-16

... DEPARTMENT OF COMMERCE International Trade Administration [C-475-819] Certain Pasta from Italy: Extension of Time Limit for the Preliminary Results of the Countervailing Duty Administrative Review AGENCY... notice of initiation of administrative review of the countervailing duty order on certain pasta from...

76 FR 6604 - Certain Pasta From Italy: Extension of Time Limit for the Preliminary Results of the...

Science.gov (United States)

2011-02-07

... DEPARTMENT OF COMMERCE International Trade Administration [C-475-819] Certain Pasta From Italy: Extension of Time Limit for the Preliminary Results of the Countervailing Duty Administrative Review AGENCY... initiation of administrative review of the countervailing duty order on certain pasta from Italy, covering...

77 FR 17410 - Solid Urea From the Russian Federation: Extension of Time Limit for Preliminary Results of...

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2012-03-26

... DEPARTMENT OF COMMERCE International Trade Administration [A-821-801] Solid Urea From the Russian Federation: Extension of Time Limit for Preliminary Results of Antidumping Duty Administrative Review AGENCY... Commerce (the Department) initiated an administrative review of the antidumping duty order on solid urea...

75 FR 19369 - Certain Hot-Rolled Flat-Rolled Carbon Quality Steel Products from Brazil: Preliminary Results of...

Science.gov (United States)

2010-04-14

.... Hot-rolled dual phase steel, phase-hardened, primarily with a ferritic-martensitic microstructure.... See Preliminary Results of Antidumping Duty Administrative Review: Stainless Steel Sheet and Strip in... Antidumping Duty Administrative Review: Stainless Steel Sheet and Strip in Coils From France, 68 FR 69379...

78 FR 55676 - Certain Frozen Fish Fillets From the Socialist Republic of Vietnam: Preliminary Results of the...

Science.gov (United States)

2013-09-11

... DEPARTMENT OF COMMERCE International Trade Administration [A-552-801] Certain Frozen Fish Fillets... order on certain frozen fish fillets (``fish fillets'') from the Socialist Republic of Vietnam... preliminary results. \\1\\ See Notice of Antidumping Duty Order: Certain Frozen Fish Fillets From the Socialist...

78 FR 34340 - Welded Carbon Steel Standard Pipe and Tube Products From Turkey: Preliminary Results of...

Science.gov (United States)

2013-06-07

... Pipe and Tube Products From Turkey: Preliminary Results of Antidumping Duty Administrative Review; 2011... tube products (welded pipe and tube) from Turkey.\\2\\ The period of review is May 1, 2011, to April 30... A.S. (BMB) had reviewable sales during this period of review. DATES: As of June 7, 2013. FOR FURTHER...

Preliminary results from MBE-4: A four beam induction linac for heavy ion fusion research

International Nuclear Information System (INIS)

Fessenden, T.J.; Judd, D.L.; Keefe, D.; Kim, C.; Laslett, L.J.; Smith, L.; Warwick, A.I.; Warwick, P.b.A.I.

1986-01-01

Preliminary results are presented from a scaled experimental multiple beam induction linac. This experiment is part of a program of accelerator research for heavy ion fusion. It is shown that multiple beams can be accelerated without significant mutual interaction. Measurements of the longitudinal dynamics of a current-amplifying induction linac are presented and compared to calculations. Coupling of transverse and longitudinal dynamics is discussed

Preliminary results from MBE-4: a four beam induction linac for heavy ion fusion research

International Nuclear Information System (INIS)

Fessenden, T.J.; Judd, D.L.; Keefe, D.; Kim, C.; Laslett, L.J.; Smith, L.; Warwick, A.I.

1986-05-01

Preliminary results are presented from a scaled experimental multiple beam induction linac. This experiment is part of a program of accelerator research for heavy ion fusion. It is shown that multiple beams can be accelerated without significant mutual interaction. Measurements of the longitudinal dynamics of a current-amplifying induction linac are presented and compared to calculations. Coupling of transverse and longitudinal dynamics is discussed

Preliminary results about Electrodeposition of Cobalt at laboratory level

International Nuclear Information System (INIS)

Cornejo, N.

1992-01-01

As of an organic compound, an extraction and Cobalt electrodeposition method had been developed as a part of fabrication aim of a sealed radioactive source with objective to the construction of density meter prototype. It was performed preliminary test of electrodeposition in the laboratory level in a simple cell. The used electrolyte had been a sulphate solution obtained by extraction of an organic solution. It is obtained a Co film by electrodeposition at 55 o C temperature and with an approximately Co concentration in 70 g/lt. (Author) 3 refs., 1 fig., 1 tab

Most significant preliminary results of the probabilistic safety analysis on the Juragua nuclear power plant

International Nuclear Information System (INIS)

Perdomo, Manuel

1995-01-01

Since 1990 the Group for PSA Development and Applications (GDA/APS) is working on the Level-1 PSA for the Juragua-1 NPP, as a part of an IAEA Technical Assistance Project. The main objective of this study, which is still under way, is to assess, in a preliminary way, the Reactor design safety to find its potential 'weak points' at the construction stage, using a eneric data base. At the same time, the study allows the PSA team to familiarize with the plant design and analysis techniques for the future operational PSA of the plant. This paper presents the most significant preliminary results of the study, which reveal some advantages of the safety characteristics of the plant design in comparison with the homologous VVER-440 reactors and some areas, where including slight modifications would improve the plant safety, considering the level of detail at which the study is carried out. (author). 13 refs, 1 fig, 2 tabs

Comparing pharmacophore models derived from crystallography and NMR ensembles

Science.gov (United States)

Ghanakota, Phani; Carlson, Heather A.

2017-11-01

NMR and X-ray crystallography are the two most widely used methods for determining protein structures. Our previous study examining NMR versus X-Ray sources of protein conformations showed improved performance with NMR structures when used in our Multiple Protein Structures (MPS) method for receptor-based pharmacophores (Damm, Carlson, J Am Chem Soc 129:8225-8235, 2007). However, that work was based on a single test case, HIV-1 protease, because of the rich data available for that system. New data for more systems are available now, which calls for further examination of the effect of different sources of protein conformations. The MPS technique was applied to Growth factor receptor bound protein 2 (Grb2), Src SH2 homology domain (Src-SH2), FK506-binding protein 1A (FKBP12), and Peroxisome proliferator-activated receptor-γ (PPAR-γ). Pharmacophore models from both crystal and NMR ensembles were able to discriminate between high-affinity, low-affinity, and decoy molecules. As we found in our original study, NMR models showed optimal performance when all elements were used. The crystal models had more pharmacophore elements compared to their NMR counterparts. The crystal-based models exhibited optimum performance only when pharmacophore elements were dropped. This supports our assertion that the higher flexibility in NMR ensembles helps focus the models on the most essential interactions with the protein. Our studies suggest that the "extra" pharmacophore elements seen at the periphery in X-ray models arise as a result of decreased protein flexibility and make very little contribution to model performance.

Growth crystallography and lamellar to rod transition in directionally solidified Nb--Nb2C eutectic composites

International Nuclear Information System (INIS)

David, S.A.; Santhanam, A.T.; Brody, H.D.

1976-01-01

The transition in morphology of the carbide phase is discussed in terms of the relative volume fraction of the phases, growth rate, and orientation relationships. The carbide morphology is influenced by the growth rate and carbon content. For constant growth rate increasing the volume fraction of the carbide phase favors the lamellar morphology. At low growth rates the lamellar morphology is favored, and at high growth rates the rod-like morphology is favored. Growth crystallography has no direct influence on the transition in carbide morphology

75 FR 4779 - Certain Cut-to-Length Carbon-Quality Steel Plate Products From Italy: Preliminary Results of...

Science.gov (United States)

2010-01-29

...-Quality Steel Plate Products From Italy: Preliminary Results of Antidumping Duty Administrative Review... administrative review of the antidumping duty order on certain cut-to-length carbon- quality steel plate products... that the Department conduct an administrative review of its sales and entries of subject merchandise...

75 FR 4044 - Stainless Steel Bar From Brazil: Extension of Time Limit for Preliminary Results of Antidumping...

Science.gov (United States)

2010-01-26

... DEPARTMENT OF COMMERCE International Trade Administration [A-351-825] Stainless Steel Bar From... antidumping duty order on certain stainless steel bar from Brazil for the period February 1, 2008, through... Steel Bar From Brazil: Extension of Time Limit for Preliminary Results of Antidumping Duty...

77 FR 11485 - Certain Pasta From Turkey: Extension of Time Limit for the Preliminary Results of Antidumping...

Science.gov (United States)

2012-02-27

... DEPARTMENT OF COMMERCE International Trade Administration [A-489-805] Certain Pasta From Turkey: Extension of Time Limit for the Preliminary Results of Antidumping Duty Administrative Review AGENCY: Import... initiation of the administrative review of the antidumping duty order on certain pasta from Turkey, covering...

75 FR 81218 - Laminated Woven Sacks From the People's Republic of China: Preliminary Results of the Second...

Science.gov (United States)

2010-12-27

... the People's Republic of China: Preliminary Results of the Second Administrative Review AGENCY: Import... laminated woven sacks (``LWS'') from the People's Republic of China (``PRC'') covering the period August 1, 2009, through July 31, 2010. This review covers imports of subject merchandise from one manufacturer...

77 FR 46030 - Pure Magnesium in Granular Form From the People's Republic of China: Preliminary Results of...

Science.gov (United States)

2012-08-02

... granular magnesium'') from the People's Republic of China (``PRC'') with respect to one producer/ exporter... Form From the People's Republic of China: Preliminary Results of Antidumping Duty Administrative Review...-2012 Administrative Review of Pure Magnesium in Granular Form from the People's Republic of China...

76 FR 13358 - Persulfates From the People's Republic of China: Preliminary Results of the 2009-2010 Antidumping...

Science.gov (United States)

2011-03-11

...'s Republic of China: Preliminary Results of the 2009-2010 Antidumping Duty Administrative Review... conducting an administrative review of the antidumping duty order on persulfates from the People's Republic... review covers one producer/exporter of the subject merchandise, i.e., United Initiators (Shanghai) Co...

76 FR 33194 - Pure Magnesium From the People's Republic of China: Preliminary Results of the 2009-2010...

Science.gov (United States)

2011-06-08

... assessment rates are above de minimis. We invite interested parties to comment on these preliminary results... Determination of Sales at Less Than Fair Value: Antidumping Duty Investigation of Pure Magnesium From the... the following alloying elements: aluminum, manganese, zinc, silicon, thorium, zirconium and rare...

78 FR 69820 - Seamless Refined Copper Pipe and Tube From the People's Republic of China: Preliminary Results...

Science.gov (United States)

2013-11-21

...\\ \\1\\ See Seamless Refined Copper Pipe and Tube From Mexico and the People's Republic of China... and Tube From the People's Republic of China: Preliminary Results and Partial Rescission of... China (``PRC''), covering the period November 1, 2011 through October 31, 2012. The Department has...

The Agricultural Model Intercomparison and Improvement Project (AgMIP): Progress and Preliminary Results

Science.gov (United States)

Rosenzweig, C.

2011-12-01

The Agricultural Model Intercomparison and Improvement Project (AgMIP) is a distributed climate-scenario simulation exercise for historical model intercomparison and future climate change conditions with participation of multiple crop and agricultural trade modeling groups around the world. The goals of AgMIP are to improve substantially the characterization of risk of hunger and world food security due to climate change and to enhance adaptation capacity in both developing and developed countries. Recent progress and the current status of AgMIP will be presented, highlighting three areas of activity: preliminary results from crop pilot studies, outcomes from regional workshops, and emerging scientific challenges. AgMIP crop modeling efforts are being led by pilot studies, which have been established for wheat, maize, rice, and sugarcane. These crop-specific initiatives have proven instrumental in testing and contributing to AgMIP protocols, as well as creating preliminary results for aggregation and input to agricultural trade models. Regional workshops are being held to encourage collaborations and set research activities in motion for key agricultural areas. The first of these workshops was hosted by Embrapa and UNICAMP and held in Campinas, Brazil. Outcomes from this meeting have informed crop modeling research activities within South America, AgMIP protocols, and future regional workshops. Several scientific challenges have emerged and are currently being addressed by AgMIP researchers. Areas of particular interest include geospatial weather generation, ensemble methods for climate scenarios and crop models, spatial aggregation of field-scale yields to regional and global production, and characterization of future changes in climate variability.

Recent improvements in the calculation of prompt fission neutron spectra: Preliminary results

International Nuclear Information System (INIS)

Madland, D.G.; LaBauve, R.J.; Nix, J.R.

1989-01-01

We consider three topics in the refinement and improvement of our original calculations of prompt fission neutron spectra. These are an improved calculation of the prompt fission neutron spectrum N(E) from the spontaneous fission of 252 Cf, a complete calculation of the prompt fission neutron spectrum matrix N(E,E n ) from the neutron-induced fission of 235 U, at incident neutron energies ranging from 0 to 15 MeV, and an assessment of the scission neutron component of the prompt fission neutron spectrum. Preliminary results will be presented and compared with experimental measurements and an evaluation. A suggestion is made for new integral cross section measurements. (author). 45 refs, 12 figs, 1 tab

Mix and Inject: Reaction Initiation by Diffusion for Time-Resolved Macromolecular Crystallography

Directory of Open Access Journals (Sweden)

Marius Schmidt

2013-01-01

Full Text Available Time-resolved macromolecular crystallography unifies structure determination with chemical kinetics, since the structures of transient states and chemical and kinetic mechanisms can be determined simultaneously from the same data. To start a reaction in an enzyme, typically, an initially inactive substrate present in the crystal is activated. This has particular disadvantages that are circumvented when active substrate is directly provided by diffusion. However, then it is prohibitive to use macroscopic crystals because diffusion times become too long. With small micro- and nanocrystals diffusion times are adequately short for most enzymes and the reaction can be swiftly initiated. We demonstrate here that a time-resolved crystallographic experiment becomes feasible by mixing substrate with enzyme nanocrystals which are subsequently injected into the X-ray beam of a pulsed X-ray source.

Preliminary results for the helicity asymmetry E for eta photoproduction on the proton

International Nuclear Information System (INIS)

2012-01-01

Polarization observables are an important tool for clarifying the nucleon resonance spectrum. No previous measurements for double polarization asymmetries have been published for eta photoproduction. Double polarization measurements have been made at Jefferson Lab using a polarized photon beam and protons in a polarized frozen spin target (FROST). Data were taken during the first running period of FROST using the CLAS detector with photon energies from 0.33 to 2.35 GeV. Preliminary results for the E polarization observable for eta meson photoproduction from the proton at threshold and above, along with comparisons to several theoretical predictions are presented.

Postmortem study of stable carbon isotope ratios in human cerebellar DNA: preliminary results

International Nuclear Information System (INIS)

Slatkin, D.N.; Irsa, A.P.; Friedman, L.

1978-01-01

It is observed that 13 C/ 12 C ratios in tissue specimens removed postmortem in the United States and Canada are significantly different from corresponding ratios in European specimens. On the basis of this information, measurements of carbon isotope ratios in DNA isolated from cerebella of native-born and European-born North Americans are in progress with the goal of estimating the average lifetime rate of DNA turnover in human neurons. Preliminary results from twenty postmortem examinations are consistent with the hypothesis that a significant proportion of human cerebellar DNA is renewed during the lifetime of an individual

76 FR 17380 - Solid Urea From the Russian Federation: Extension of Time Limit for Preliminary Results of...

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2011-03-29

... DEPARTMENT OF COMMERCE International Trade Administration [A-821-801] Solid Urea From the Russian Federation: Extension of Time Limit for Preliminary Results of Antidumping Duty Administrative Review AGENCY... administrative review of the antidumping duty order on solid urea from the Russian Federation for the period July...

75 FR 13495 - Saccharin from the People's Republic of China: Preliminary Results of the 2008-2009 Antidumping...

Science.gov (United States)

2010-03-22

... Republic of China: Preliminary Results of the 2008-2009 Antidumping Duty Administrative Review AGENCY... administrative review of the antidumping duty order on saccharin from the People's Republic of China (``PRC'') covering the period July 1, 2008, through June 30, 2009. This administrative review covers one exporter of...

The crystallography of carbide-free bainites in thermo-mechanically processed low Si transformation-induced plasticity steels

Energy Technology Data Exchange (ETDEWEB)

Pereloma, Elena V. [School of Mechanical, Materials and Mechatronic Engineering, University of Wollongong, New South Wales 2522 (Australia); Electron Microscopy Centre, University of Wollongong, New South Wales 2500 (Australia); Al-Harbi, Fayez [School of Mechanical, Materials and Mechatronic Engineering, University of Wollongong, New South Wales 2522 (Australia); Gazder, Azdiar A., E-mail: azdiar@uow.edu.au [Electron Microscopy Centre, University of Wollongong, New South Wales 2500 (Australia)

2014-12-05

Highlights: • First EBSD study comparing ferrite in granular bainite and bainitic laths in two TRIP steels. • Both TRIP steels (base and with Nb–Ti additions) subjected to the same TMP schedule. • Crystallography of the ferrite in the 2 bainites studied using the K–S orientation relationship. • Variants in GB associated with self-accommodation. • BF variant selection linked to RA plastic accommodation and limited volume. - Abstract: Carbide-free bainites are important microstructural constituents in bainitic, nanobainitic and transformation-induced plasticity (TRIP) steels. A comparison of the crystallography of ferrite in granular bainite and bainitic ferrite lath morphologies, both of which were simultaneously present in a base and a Nb–Ti containing TRIP steel, has been carried out using electron back-scattering diffraction. Ferrite in granular bainite was characterised by the realisation of nearly all 24 variants of the Kurdjumov–Sachs orientation relationship; which in turn was associated with the self-accommodation of the transformation strain. On the other hand, bainitic ferrite comprised a mostly parallel lath structure between thick interlayers of retained austenite and exhibited variant selection such that one or more crystallographic packets are not realised and sometimes only 1–2 variants formed in a crystallographic packet. The variant selection in bainitic ferrite laths was associated with: (i) the plastic accommodation of transformation strain by retained austenite and, (ii) the limited available volume for its formation.

The crystallography of carbide-free bainites in thermo-mechanically processed low Si transformation-induced plasticity steels

International Nuclear Information System (INIS)

Pereloma, Elena V.; Al-Harbi, Fayez; Gazder, Azdiar A.

2014-01-01

Highlights: • First EBSD study comparing ferrite in granular bainite and bainitic laths in two TRIP steels. • Both TRIP steels (base and with Nb–Ti additions) subjected to the same TMP schedule. • Crystallography of the ferrite in the 2 bainites studied using the K–S orientation relationship. • Variants in GB associated with self-accommodation. • BF variant selection linked to RA plastic accommodation and limited volume. - Abstract: Carbide-free bainites are important microstructural constituents in bainitic, nanobainitic and transformation-induced plasticity (TRIP) steels. A comparison of the crystallography of ferrite in granular bainite and bainitic ferrite lath morphologies, both of which were simultaneously present in a base and a Nb–Ti containing TRIP steel, has been carried out using electron back-scattering diffraction. Ferrite in granular bainite was characterised by the realisation of nearly all 24 variants of the Kurdjumov–Sachs orientation relationship; which in turn was associated with the self-accommodation of the transformation strain. On the other hand, bainitic ferrite comprised a mostly parallel lath structure between thick interlayers of retained austenite and exhibited variant selection such that one or more crystallographic packets are not realised and sometimes only 1–2 variants formed in a crystallographic packet. The variant selection in bainitic ferrite laths was associated with: (i) the plastic accommodation of transformation strain by retained austenite and, (ii) the limited available volume for its formation

Preliminary results from initial in-pile debris bed experiments

International Nuclear Information System (INIS)

Rivard, J.B.

1977-01-01

An accident in a liquid metal fast breeder reactor (LMFBR) in which molten core material is suddenly quenched with subcooled liquid sodium could result in extensive fragmentation and dispersal of fuel as subcritical beds of frozen particulate debris within the reactor vessel. Since this debris will continue to generate power due to decay of retained fission products, containment of the debris is threatened if the generated heat is not removed. Therefore, the initial safety question is the capacity which debris beds may have for transfer of the decay heat to overlying liquid sodium by natural processes--i.e., without the aid of forced circulation of the coolant. Up to the present time, all experiments on debris bed behavior either have used substitute materials (e.g., sand and water) or have employed actual materials, but atypical heating methods. Increased confidence in the applicability of debris bed simulations is afforded if the heat is generated within the fuel component of the appropriate fast reactor materials. The initial series of in-pile tests reported on herein constitutes the first experiments in which the internal heating mode has been produced in particulate oxide fuel immersed in liquid sodium. Fission heating of the fully-enriched UO 2 in the experiment while it is contained within Sandia Laboratories Annular Core Pulse Reactor (ACPR), operating in its steady-state mode, approximates the decay heating of debris. Preliminary results are discussed

The Myres Hill remote sensing intercomparison study: preliminary results

Energy Technology Data Exchange (ETDEWEB)

Clive, P J M; Chindurza, I [SgurrEnergy Ltd, 79 Coplaw Street, Glasgow G42 7JG, Scotland (United Kingdom); Ravey, I; Bass, J [RES Group Ltd, James Blyth House, 7000 Academy Park, Glasgow, Scotland (United Kingdom); Boyle, R J; Jones, P [TUV NEL Ltd, East Kilbride, Glasgow G75 0QF, Scotland (United Kingdom); Lang, S J [Sustainable Energy Research Group, University College Cork (Ireland); Bradley, S [Mighty River Power, Level 14, 23-29 Albert Street, Auckland (New Zealand); Hay, L [Garrad Hassan and Partners Ltd, 2064 Maryhill Road, Glasgow G20 0AB, Scotland (United Kingdom); Oldroyd, A [Oldbaum Services Ltd, Schoolhouse, Brig o' Turk, Callander, Scotland (United Kingdom); Stickland, M [University of Strathclyde, 16 Richmond Street, Glasgow G1 1XQ, Scotland (United Kingdom)], E-mail: peter.clive@sgurrenergy.com

2008-05-01

Two remote sensing techniques (SODAR and LIDAR) have been developed for measuring wind speed and turbulence from ground level up to altitudes of 300 m or higher. Although originally developed in the defence sector, these techniques are now generating considerable interest in the renewable energy and meteorological sectors. Despite the benefits of these instruments they are not yet generally accepted for due diligence measurements by wind energy developers and financial institutions. There is a requirement for a series of independent assessments of these new metrology techniques, comparing their measurements with the approved cup-type anemometer readings. This is being addressed at TUV NEL's Myres Hill wind turbine test site in a measurement programme supported by the DIUS National Measurement Systems Measurement for Innovators scheme and a consortium of 21 industrial collaborators. Data from SODAR and LIDAR systems are being compared with results from cup-type anemometers mounted at different heights on an 80m meteorological mast. An ultrasonic sensor is also mounted on the mast. The objective of the test programme is to assess the effectiveness of SODAR and LIDAR wind speed measurement techniques under different operating regimes and atmospheric conditions. Results from the measurements will provide definitive data on the performance of the remote wind speed sensing techniques under test on complex terrain typical of many wind farm sites. Preliminary measurements based on data acquired during the initial measurement campaign are presented.

Room-temperature macromolecular serial crystallography using synchrotron radiation

Directory of Open Access Journals (Sweden)

Francesco Stellato

2014-07-01

Full Text Available A new approach for collecting data from many hundreds of thousands of microcrystals using X-ray pulses from a free-electron laser has recently been developed. Referred to as serial crystallography, diffraction patterns are recorded at a constant rate as a suspension of protein crystals flows across the path of an X-ray beam. Events that by chance contain single-crystal diffraction patterns are retained, then indexed and merged to form a three-dimensional set of reflection intensities for structure determination. This approach relies upon several innovations: an intense X-ray beam; a fast detector system; a means to rapidly flow a suspension of crystals across the X-ray beam; and the computational infrastructure to process the large volume of data. Originally conceived for radiation-damage-free measurements with ultrafast X-ray pulses, the same methods can be employed with synchrotron radiation. As in powder diffraction, the averaging of thousands of observations per Bragg peak may improve the ratio of signal to noise of low-dose exposures. Here, it is shown that this paradigm can be implemented for room-temperature data collection using synchrotron radiation and exposure times of less than 3 ms. Using lysozyme microcrystals as a model system, over 40 000 single-crystal diffraction patterns were obtained and merged to produce a structural model that could be refined to 2.1 Å resolution. The resulting electron density is in excellent agreement with that obtained using standard X-ray data collection techniques. With further improvements the method is well suited for even shorter exposures at future and upgraded synchrotron radiation facilities that may deliver beams with 1000 times higher brightness than they currently produce.

Hybridization among wild boars, local breeds and commercial breeds - preliminary results

DEFF Research Database (Denmark)

Iacolina, Laura; Bakan, Jana; Cubric-Curik, Vlatka

. Hybridization with the domestic pig is known to occur in Europe, however the degree and extent of the phenomenon is not fully understood yet. Introgression is considered to be a treat to biodiversity and could lead to loss of local adaptation or introgression in the wild population of human selected genes....... A better understanding of the hybridization levels at European scale would provide an important tool for the development of management plans aimed at reducing human conflict but also at preserving biodiversity and genetic differentiation. Additionally, this information would provide new perspectives...... gradients in variability levels among the analysed wild and domestic populations. This preliminary results will be further investigated to address the possible presence of hybrid zone(s) in Europe and the possible implications for conservation and management of both wild populations and local pig breeds...

Perdeuteration, purification, crystallization and preliminary neutron diffraction of an ocean pout type III antifreeze protein

International Nuclear Information System (INIS)

Petit-Haertlein, Isabelle; Blakeley, Matthew P.; Howard, Eduardo; Hazemann, Isabelle; Mitschler, Andre; Haertlein, Michael; Podjarny, Alberto

2009-01-01

Perdeuterated type III antifreeze protein has been expressed, purified and crystallized. Preliminary neutron data collection showed diffraction to 1.85 Å resolution from a 0.13 mm 3 crystal. The highly homologous type III antifreeze protein (AFP) subfamily share the capability to inhibit ice growth at subzero temperatures. Extensive studies by X-ray crystallography have been conducted, mostly on AFPs from polar fishes. Although interactions between a defined flat ice-binding surface and a particular lattice plane of an ice crystal have now been identified, the fine structural features underlying the antifreeze mechanism still remain unclear owing to the intrinsic difficulty in identifying H atoms using X-ray diffraction data alone. Here, successful perdeuteration (i.e. complete deuteration) for neutron crystallographic studies of the North Atlantic ocean pout (Macrozoarces americanus) AFP in Escherichia coli high-density cell cultures is reported. The perdeuterated protein (AFP D) was expressed in inclusion bodies, refolded in deuterated buffer and purified by cation-exchange chromatography. Well shaped perdeuterated AFP D crystals have been grown in D 2 O by the sitting-drop method. Preliminary neutron Laue diffraction at 293 K using LADI-III at ILL showed that with a few exposures of 24 h a very low background and clear small spots up to a resolution of 1.85 Å were obtained using a ‘radically small’ perdeuterated AFP D crystal of dimensions 0.70 × 0.55 × 0.35 mm, corresponding to a volume of 0.13 mm 3

Preliminary results of the XR2-1 experiment

International Nuclear Information System (INIS)

Gauntt, R.O.; Helmick, P.H.; Humphries, L.

1996-01-01

The XR2-1 (Ex-Reactor) experiment, investigating metallic core-melt relocation in boiling water reactor geometry, was performed on October 12, 1995, following two previous simpler XR1-series tests in August and November of 1993. The XR2-1 test made use of a highly detailed replication of the lower region of the BWR core, including the control blade and channel box structures, fuel rods, fuel canister nosepieces, control blade velocity limiter, and fuel support pieces, in order to investigate a key core melt progression uncertainty for BWR Station Blackout type accidents. The purpose of this experiment program is to examine the behavior of downward-draining molten metallic core materials in a severe reactor accident in a dry BWR core, and to determine conditions under which the molten materials drain out of the core region, or freeze to form blockages in the lower portion of the core. In the event that the draining metallic materials do not form stable blockages in the lower core region, and instead erode the lower core structures such as the lower core plate, then the subsequent core melt progression processes may proceed quite differently than was observed in the TMI-2 accident, with correspondingly different impact on vessel loading and vessel release behavior. The results of the Ex-Reactor tests are preliminary. All of the tests conducted have shown a significant degree of channel box destruction induced by the draining control blade materials. The XR2-1 test further showed that the draining zircaloy melt causes significant disruption of the fuel rod geometry. All of the tests have shown tendencies to form interim blockages as the melts temporarily freeze, but that these blockages re-melt, assisted by eutectic interactions, resulting in the sudden draining of accumulated metallic melt pools

Preliminary results of hydrologic testing: The composite Umtanum basalt flow top at borehole RRL-2 (3,568 - 3,781 feet)

International Nuclear Information System (INIS)

Strait, S.R.; Spane, F.A. Jr.

1982-11-01

This report presents preliminary results and description of hydrologic test activities for the composite Umtanum basalt flow top (3,568--3,781 feet) at Borehole RRL-2. Hydrologic tests conducted include two constant discharge air-lift and four slug tests. Preliminary results indicate an observed hydraulic head for the test interval of 405.7 feet above mean sea level. Transmissivity values determined from hydrologic tests performed, range between 244 to 481 ft 2 /day, with an assigned best estimate of 480 ft 2 /day. The best estimate of equivalent hydraulic conductivity, based on an effective test thickness of 157 feet, is 3.1 ft/day. 7 refs., 9 figs., 3 tabs

Preliminary Results from the PrimEx-II experiment at Jefferson Lab

Energy Technology Data Exchange (ETDEWEB)

Gasparian, Ashot [NCA& T, Greensboro, NC; Thomas Jefferson National Accelerator Facility (TJNAF), Newport News, VA (United States)

2016-06-01

Properties of the neutral pion, as the lightest hadron in Nature, are most sensitive to the basic symmetries and their partial breaking effects in the theory of the strong interaction (QCD). In particular, the po →gg decay width is primarily defined by the spontaneous chiral symmetry breaking effect (chiral anomaly) in QCD. The next order corrections to the anomaly have been shown to be small and are known to a 1% precision level. The PrimEx Collaboration at JLab has developed and performed two Primakoff type experiments to measure the po →gg decay width with a similar precision. The published result from the PrimEx-I experiment, G(p0 →gg ) = 7.82±0.14 (stat.)±0.17 (syst.) eV, was a factor of two more precise than the average value quoted in PDG-2010 [1]. The second experiment was performed in 2010 with a goal of 1.4% total uncertainty to address the next-to-leading-order theory calculations. The preliminary results from the PrimEx-II experiment are presented and discussed in this note.

Design and Construction of a High-speed Network Connecting All the Protein Crystallography Beamlines at the Photon Factory

International Nuclear Information System (INIS)

Matsugaki, Naohiro; Yamada, Yusuke; Igarashi, Noriyuki; Wakatsuki, Soichi

2007-01-01

A private network, physically separated from the facility network, was designed and constructed which covered all the four protein crystallography beamlines at the Photon Factory (PF) and Structural Biology Research Center (SBRC). Connecting all the beamlines in the same network allows for simple authentication and a common working environment for a user who uses multiple beamlines. Giga-bit Ethernet wire-speed was achieved for the communication among the beamlines and SBRC buildings

Preliminary results from a crowdsourcing experiment in immunohistochemistry.

Science.gov (United States)

Della Mea, Vincenzo; Maddalena, Eddy; Mizzaro, Stefano; Machin, Piernicola; Beltrami, Carlo A

2014-01-01

Crowdsourcing, i.e., the outsourcing of tasks typically performed by a few experts to a large crowd as an open call, has been shown to be reasonably effective in many cases, like Wikipedia, the Chess match of Kasparov against the world in 1999, and several others. The aim of the present paper is to describe the setup of an experimentation of crowdsourcing techniques applied to the quantification of immunohistochemistry. Fourteen Images from MIB1-stained breast specimens were first manually counted by a pathologist, then submitted to a crowdsourcing platform through a specifically developed application. 10 positivity evaluations for each image have been collected and summarized using their median. The positivity values have been then compared to the gold standard provided by the pathologist by means of Spearman correlation. Contributors were in total 28, and evaluated 4.64 images each on average. Spearman correlation between gold and crowdsourced positivity percentages is 0.946 (p crowdsourcing for an image analysis task that is currently time-consuming when done by human experts. Crowdsourced work can be used in various ways, in particular statistically agregating data to reduce identification errors. However, in this preliminary experimentation we just considered the most basic indicator, that is the median positivity percentage, which provided overall good results. This method might be more aimed to research than routine: when a large number of images are in need of ad-hoc evaluation, crowdsourcing may represent a quick answer to the need.

Research Initiatives and Preliminary Results In Automation Design In Airspace Management in Free Flight

Science.gov (United States)

Corker, Kevin; Lebacqz, J. Victor (Technical Monitor)

1997-01-01

The NASA and the FAA have entered into a joint venture to explore, define, design and implement a new airspace management operating concept. The fundamental premise of that concept is that technologies and procedures need to be developed for flight deck and ground operations to improve the efficiency, the predictability, the flexibility and the safety of airspace management and operations. To that end NASA Ames has undertaken an initial development and exploration of "key concepts" in the free flight airspace management technology development. Human Factors issues in automation aiding design, coupled aiding systems between air and ground, communication protocols in distributed decision making, and analytic techniques for definition of concepts of airspace density and operator cognitive load have been undertaken. This paper reports the progress of these efforts, which are not intended to definitively solve the many evolving issues of design for future ATM systems, but to provide preliminary results to chart the parameters of performance and the topology of the analytic effort required. The preliminary research in provision of cockpit display of traffic information, dynamic density definition, distributed decision making, situation awareness models and human performance models is discussed as they focus on the theme of "design requirements".

Development of methods to measure hemoglobin adducts by gel electrophoresis - Preliminary results

International Nuclear Information System (INIS)

Sun, J.D.; McBride, S.M.

1988-01-01

Chemical adducts formed on blood hemoglobin may be a useful biomarker for assessing human exposures to these compounds. This paper reports preliminary results in the development of methods to measure such adducts that may be generally applicable for a wide variety of chemicals. Male F344/N rats were intraperitoneally injected with 14 C-BaP dissolved in corn oil. Twenty-four hours later, the rats were sacrificed. Blood samples were collected and globin was isolated. Globin protein was then cleaved into peptide fragments using cyanogen bromide and the fragments separated using 2-dimensional gel electrophoresis. The results showed that the adducted 14 C-globin fragments migrated to different areas of the gel than did unadducted fragments. Further research is being conducted to develop methods that will allow quantitation of separated adducted globin fragments from human blood samples without the use of a radiolabel. (author)

New cysteamine (2-chloroethyl)nitrosoureas. Synthesis and preliminary antitumor results.

Science.gov (United States)

Madelmont, J C; Godeneche, D; Parry, D; Duprat, J; Chabard, J L; Plagne, R; Mathe, G; Meyniel, G

1985-09-01

Three chemical pathways were used for the synthesis of four new N'-(2-chloroethyl)-N-[2-(methylsulfinyl)ethyl]- and N'-(2-chloroethyl)-N-[2-(methylsulfonyl)ethyl]-N- or N'-nitrosoureas. These compounds are plasma metabolites of CNCC, a promising antineoplastic (2-chloroethyl)nitrosourea. Preliminary antitumor evaluation was performed against L1210 leukemia implanted intraperitoneally in mice. Among these compounds, two of them exhibited a greater antitumor activity compared to that of the parent mixture.

77 FR 73417 - Diamond Sawblades and Parts Thereof From the People's Republic of China: Preliminary Results of...

Science.gov (United States)

2012-12-10

... Thereof From the People's Republic of China: Preliminary Results of Antidumping Duty Administrative Review... Republic of China (``PRC''). The period of review (``POR'') is November 1, 2010 through October 31, 2011... have been calculated in accordance with section 772 of the Act. Because the PRC is a nonmarket economy...

77 FR 73015 - Circular Welded Non-Alloy Steel Pipe From the Republic of Korea: Preliminary Results of...

Science.gov (United States)

2012-12-07

... Steel Pipe From the Republic of Korea: Preliminary Results of Antidumping Duty Administrative Review... antidumping duty order on circular welded non-alloy steel pipe (CWP) from the Republic of Korea (Korea). The... preliminarily found that one respondent has made sales of the subject merchandise at prices below normal value...

Results of preliminary experiments on tritium decontamination by UV irradiation

International Nuclear Information System (INIS)

Oya, Yasuhisa; Shu, Wataru; O'hira, Shigeru; Hayashi, Takumi; Nishi, Masataka

2000-03-01

In the point of view of protection of workers from the radiation exposure and the limitation of the contamination with radioactive materials, it is important to decontaminate mobile tritium from plasma facing components of a nuclear fusion reactor at the beginning of their maintenance work. It is considered that the heating is the most effective method for decontamination. However, it is important to develop new decontamination method of adsorbed hydro-carbon based substances from the materials that cannot be heated or the inner pipe of double pipes. This report presents results of preliminary experiments performed for the development of the effective tritium decontamination technique pursuing under US/Japan collaborative program on technology for fusion-fuel processing (Annex IV). In the experiments, the effects of Ultra Violet (UV) irradiation on tritium removal from some kinds of materials, such as poly vinyl chloride -(CH 2 CHCl) n - film, polyethylene film and graphite samples coated by C 2 H 2 plasma were examined. As the result of UV irradiation, it was confined that hydrogen and carbon based compounds could be released from the specimen during UV irradiation. It is concluded that UV irradiation is one of the hopeful candidates for effective tritium decontamination. (author)

IRIS PRA preliminary results and future direction

International Nuclear Information System (INIS)

Finnicum, D.J.; Kling, C.L.; Carelli, M.D.

2004-01-01

Westinghouse is currently conducting the pre-application licensing of the International Reactor Innovative and Secure (IRIS) on behalf of the IRIS Consortium. One of the key aspects of the IRIS design is the concept of safety-by-design. The PRA (Probabilistic Risk Analysis) is being used as an integral part of the design process. As part of this effort, a PRA of the initial design was generated to address 2 key areas. First, the IRIS PRA supported the evaluation of IRIS design issues by providing a solid risk basis for design and analyses required for the pre-licensing evaluation of the IRIS design. The PRA provides the tool for quantifying the benefit of the safety-by-design approach. Second, the current PRA task is beginning the preparation of the more complete PRA analyses and documentation eventually required for Design Certification. One of the key risk-related goals for IRIS is to reduce the EPZ (Emergency Protection Zone) to within the exclusion area by demonstrating that the off-site doses are consistent with the US Protective Action Guidelines (PAGs) for initiation of emergency response so that the required protective actions would be limited to the exclusion area. The results of the preliminary PRA indicated a core damage frequency of 1.2 E-08 for internal initiators. This is a very good result but much work is needed to meet the ambitious goal of no emergency response. The next phase of the PRA analyses will involve a two-fold expansion of the PRA. First, as the design and analyses approach a greater level of detail, the assumptions used for the initial PRA will be reviewed and the models will be revised as needed to reflect the improved knowledge of the system design and performance. Furthermore, as the full plant design advances, the PRA will be expanded to incorporate risk associated with external challenges such as seismic and fire, and to address low power and shutdowns modes of operation. As with the initial work, the PRA will serve as a tool to

A combination of preliminary results on gauge boson couplings measured by the LEP Experiments

CERN Document Server

CERN. Geneva

2004-01-01

This note presents a combination of published and preliminary measurements of triple gauge boson couplings (TGCs) and quartic gauge boson couplings (QGCs) from the four LEP experiments. We give an updated combination of the charged TGCs, g1z, kg and lg in single and multi-parameter fits. Updated results from the QGCs from the ZZgg vertex, ac/Lambda^2 and a0/Lambda^2, are given as well. The combinations of neutral TGCs hiv anf fiv are also presented, including an updated fiv combination.

Modeling of Particle Acceleration at Multiple Shocks Via Diffusive Shock Acceleration: Preliminary Results

Science.gov (United States)

Parker, L. N.; Zank, G. P.

2013-12-01

Successful forecasting of energetic particle events in space weather models require algorithms for correctly predicting the spectrum of ions accelerated from a background population of charged particles. We present preliminary results from a model that diffusively accelerates particles at multiple shocks. Our basic approach is related to box models (Protheroe and Stanev, 1998; Moraal and Axford, 1983; Ball and Kirk, 1992; Drury et al., 1999) in which a distribution of particles is diffusively accelerated inside the box while simultaneously experiencing decompression through adiabatic expansion and losses from the convection and diffusion of particles outside the box (Melrose and Pope, 1993; Zank et al., 2000). We adiabatically decompress the accelerated particle distribution between each shock by either the method explored in Melrose and Pope (1993) and Pope and Melrose (1994) or by the approach set forth in Zank et al. (2000) where we solve the transport equation by a method analogous to operator splitting. The second method incorporates the additional loss terms of convection and diffusion and allows for the use of a variable time between shocks. We use a maximum injection energy (Emax) appropriate for quasi-parallel and quasi-perpendicular shocks (Zank et al., 2000, 2006; Dosch and Shalchi, 2010) and provide a preliminary application of the diffusive acceleration of particles by multiple shocks with frequencies appropriate for solar maximum (i.e., a non-Markovian process).

Spatial and temporal variation of radiocarbon in tree rings - some preliminary results

International Nuclear Information System (INIS)

Higham, T.F.G.; Hogg, A.G.; McCormac, F.G.; Baillie, M.G.L.; Brown, D.; Palmer, J.G.; Xiong, L.

1997-01-01

A number of researchers have identified a measurable difference between the 14 C activities of tree rings of identical dendochronological age between the Northern and the Southern Hemispheres. It is also acknowledged that there is an urgent need for new high precision Δ 14 C data from tree rings in both Hemispheres to help resolve the questions relating to the magnitude and cause of the locality and temporal dependence of the Δ 14 C record, to provide a reliable Southern Hemisphere calibration curve and to throw light upon the 1986 and 1993 Calibration data set discrepancies. In this paper, the authors present the research design of a project to investigate these critical issues in radiocarbon age calibration and describe the preliminary results

Modelling lung cancer due to radon and smoking in WISMUT miners: Preliminary results

International Nuclear Information System (INIS)

Bijwaard, H.; Dekkers, F.; Van Dillen, T.

2011-01-01

A mechanistic two-stage carcinogenesis model has been applied to model lung-cancer mortality in the largest uranium-miner cohort available. Models with and without smoking action both fit the data well. As smoking information is largely missing from the cohort data, a method has been devised to project this information from a case-control study onto the cohort. Model calculations using 256 projections show that the method works well. Preliminary results show that if an explicit smoking action is absent in the model, this is compensated by the values of the baseline parameters. This indicates that in earlier studies performed without smoking information, the results obtained for the radiation parameters are still valid. More importantly, the inclusion of smoking-related parameters shows that these mainly influence the later stages of lung-cancer development. (authors)

76 FR 41759 - Fresh Garlic From the People's Republic of China: Extension of Time Limit for Preliminary Results...

Science.gov (United States)

2011-07-15

... DEPARTMENT OF COMMERCE International Trade Administration [A-570-831] Fresh Garlic From the People's Republic of China: Extension of Time Limit for Preliminary Results of Antidumping Duty... (``Department'') published a notice of initiation of an administrative review of fresh garlic from the People's...

75 FR 32361 - Fresh Garlic From The People's Republic of China: Extension of Time Limit for Preliminary Results...

Science.gov (United States)

2010-06-08

... DEPARTMENT OF COMMERCE International Trade Administration [A-570-831] Fresh Garlic From The People's Republic of China: Extension of Time Limit for Preliminary Results of Antidumping Duty... Commerce (``Department'') published a notice of initiation of an administrative review of fresh garlic from...

76 FR 65496 - Certain Orange Juice From Brazil; Notice of Extension of Time Limits for Preliminary Results of...

Science.gov (United States)

2011-10-21

... DEPARTMENT OF COMMERCE International Trade Administration [A-351-840] Certain Orange Juice From Brazil; Notice of Extension of Time Limits for Preliminary Results of Antidumping Duty Administrative... antidumping duty order on certain orange juice from Brazil. See Initiation of Antidumping and Countervailing...

75 FR 69917 - Certain Orange Juice From Brazil; Notice of Extension of Time Limits for Preliminary Results of...

Science.gov (United States)

2010-11-16

... DEPARTMENT OF COMMERCE International Trade Administration [A-351-840] Certain Orange Juice From Brazil; Notice of Extension of Time Limits for Preliminary Results of Antidumping Duty Administrative... antidumping duty order on certain orange juice from Brazil. See Initiation of Antidumping and Countervailing...

Crystallography and Morphology of MC Carbides in Niobium-Titanium Modified As-Cast HP Alloys

Science.gov (United States)

Buchanan, Karl G.; Kral, Milo V.; Bishop, Catherine M.

2014-07-01

The microstructures of two as-cast heats of HP alloy stainless steels modified with niobium and titanium were examined with particular attention paid to the interdendritic niobium-titanium-rich carbides formed during solidification of these alloys. Generally, these precipitates obtain a blocky morphology in the as-cast condition. However, the (NbTi)C precipitates may obtain a nodular morphology. To provide further insight to the origin of the two different morphologies obtained by the (NbTi)C precipitates in the HP-NbTi alloy, the microstructure and crystallography of each have been studied in detail using scanning electron microscopy, transmission electron microscopy, various electron diffraction methods (EBSD, SAD, and CBED), and energy-dispersive X-ray spectroscopy.

Peak-shape analysis for protein neutron crystallography with position-sensitive detectors

International Nuclear Information System (INIS)

Schoenborn, B.P.

1983-01-01

In neutron protein crystallography, the use of position-sensitive detectors controlled by a modern data-acquisition system permits new approaches to data-collection strategies. Instead of dealing with conventional scans, like the theta-2theta scan, that provide an integrated intensity as a function of a rotational parameter, the computer-linked counter can be used to produce a three-dimensional reflection profile. As the crystal steps (δ#betta#) through a reflection, the observed data for each step are stored in an external memory as a function of extent in 2theta and height (y) of a reflection. In this space, the reflection will be a three-dimensional distribution with dimensions determined by such basic geometrical conditions as δlambda, crystal size, mosaic spread, counter-resolution, and beam-collimation parameters. Knowledge of the interaction of these basic parameters will allow the design of optimal beam optics and will permit the delineation of the reflection from the background and permit, therefore, an accurate intensity determination. (Auth.)

Preliminary Results of 3D-DDTC Pixel Detectors for the ATLAS Upgrade

Energy Technology Data Exchange (ETDEWEB)

La Rosa, Alessandro; /CERN; Boscardin, M.; /Fond. Bruno Kessler, Povo; Dalla Betta, G.-F.; /Trento U. /INFN, Trento; Darbo, G.; Gemme, C.; /INFN, Genoa; Pernegger, H.; /CERN; Piemonte, C.; /Fond. Bruno Kessler, Povo; Povoli, M.; /Trento U. /INFN, Trento; Ronchin, S.; /Fond. Bruno Kessler, Povo; Zoboli, A.; /Trento U. /INFN, Trento; Zorzi, N.; /Fond. Bruno Kessler, Povo; Bolle, E.; /Oslo U.; Borri, M.; /INFN, Turin /Turin U.; Da Via, C.; /Manchester U.; Dong, S.; /SLAC; Fazio, S.; /Calabria U.; Grenier, P.; /SLAC; Grinstein, S.; /Barcelona, IFAE; Gjersdal, H.; /Oslo U.; Hansson, P.; /SLAC; Huegging, F.; /Bonn U. /SLAC /INFN, Turin /Turin U. /Oslo U. /Bergen U. /Oslo U. /Prague, Tech. U. /Bonn U. /SUNY, Stony Brook /Bonn U. /SLAC

2012-04-04

3D Silicon sensors fabricated at FBK-irst with the Double-side Double Type Column (DDTC) approach and columnar electrodes only partially etched through p-type substrates were tested in laboratory and in a 1.35 Tesla magnetic field with a 180 GeV pion beam at CERN SPS. The substrate thickness of the sensors is about 200 {mu}m, and different column depths are available, with overlaps between junction columns (etched from the front side) and ohmic columns (etched from the back side) in the range from 110 {mu}m to 150 {mu}m. The devices under test were bump bonded to the ATLAS Pixel readout chip (FEI3) at SELEX SI (Rome, Italy). We report leakage current and noise measurements, results of functional tests with Am{sup 241} {gamma}-ray sources, charge collection tests with Sr90 {beta}-source and an overview of preliminary results from the CERN beam test.

Economic evaluation of short-term wind power forecast in ERCOT. Preliminary results

Energy Technology Data Exchange (ETDEWEB)

Orwig, Kirsten D.; Hodge, Bri-Mathias; Brinkman, Greg; Ela, Erik; Milligan, Michael [National Renewable Energy Laboratory (NREL), Golden, CO (United States); Banunarayanan, Venkat; Nasir, Saleh [ICF International, Fairfax, VA (United States); Freedman, Jeff [AWS Truepower, Albany, NY (United States)

2012-07-01

A number of wind energy integration studies have investigated the monetary value of using day-ahead wind power forecasts for grid operation decisions. Historically, these studies have shown that large cost savings could be gained by grid operators implementing the forecasts in their system operations. To date, none of these studies have investigated the value of shorter term (0- to 6-h ahead) wind power forecasts. In 2010, the Department of Energy and the National Oceanic and Atmospheric Administration partnered to form the Wind Forecasting Improvement Project (WFIP) to fund improvements in short-term wind forecasts and determine the economic value of these improvements to grid operators. In this work, we discuss the preliminary results of the economic benefit analysis portion of the WFIP for the Electric Reliability Council of Texas. The improvements seen in the wind forecasts are examined and the economic results of a production cost model simulation are analyzed. (orig.)

Radon and radon daughters' concentration in spring and wells waters from Presidente Prudente: preliminary results

International Nuclear Information System (INIS)

Osorio, Ana Maria Araya; Saenz, Carlos Alberto Tello; Pereira, Luiz Augusto Stuani

2009-01-01

This work presents the preliminary results about the concentration of radon and radon daughters in wells and springs water from Presidente Prudente. Six water samples were studied: three from well-water, two from springs water and one from potable water. For the determination of α-activity the samples were placed inside plastic containers where the CR-39 tracks detectors were outside the water. The track density of α-particles were measured by using optical microscopy. The results show that one sample from well-water presented higher concentration of radon and radon daughters than the other samples. (author)

A split-beam probe-pump-probe scheme for femtosecond time resolved protein X-ray crystallography

Directory of Open Access Journals (Sweden)

Jasper J. van Thor

2015-01-01

Full Text Available In order to exploit the femtosecond pulse duration of X-ray Free-Electron Lasers (XFEL operating in the hard X-ray regime for ultrafast time-resolved protein crystallography experiments, critical parameters that determine the crystallographic signal-to-noise (I/σI must be addressed. For single-crystal studies under low absorbed dose conditions, it has been shown that the intrinsic pulse intensity stability as well as mode structure and jitter of this structure, significantly affect the crystallographic signal-to-noise. Here, geometrical parameters are theoretically explored for a three-beam scheme: X-ray probe, optical pump, X-ray probe (or “probe-pump-probe” which will allow experimental determination of the photo-induced structure factor amplitude differences, ΔF, in a ratiometric manner, thereby internally referencing the intensity noise of the XFEL source. In addition to a non-collinear split-beam geometry which separates un-pumped and pumped diffraction patterns on an area detector, applying an additional convergence angle to both beams by focusing leads to integration over mosaic blocks in the case of well-ordered stationary protein crystals. Ray-tracing X-ray diffraction simulations are performed for an example using photoactive yellow protein crystals in order to explore the geometrical design parameters which would be needed. The specifications for an X-ray split and delay instrument that implements both an offset angle and focused beams are discussed, for implementation of a probe-pump-probe scheme at the European XFEL. We discuss possible extension of single crystal studies to serial femtosecond crystallography, particularly in view of the expected X-ray damage and ablation due to the first probe pulse.

A new gas stripper system for BARC-TIFR Pelletron Accelerator facility: installation and preliminary results

International Nuclear Information System (INIS)

Sharma, S.C.; Ninawe, N.G.; Yadav, M.L.; Ekambaram, M.; Ramjilal; Matkar, U.V.; Ansari, Q.N.; Lokare, R.N.; Ramlal; Gupta, A.K.; Bhagwat, P.V.; Pillay, R.G.

2009-01-01

The gas-stripper plays a key role in stripping the heavy and molecular ion beams in a tandem accelerator. Efficiency of gas stripper depends on its supporting vacuum pumps. A new recirculating turbo molecular pump-based gas stripper has been installed in the high voltage terminal of Pelletron Accelerator. Re-circulating the stripper gas reduces the flow of gas into the accelerating tubes reducing the transmission losses. Preliminary results obtained using the new gas stripper system are discussed. (author)

Stock Market Reaction to CEO Appointment – Preliminary Results

Directory of Open Access Journals (Sweden)

Katarzyna Byrka-Kita

2017-06-01

Full Text Available Purpose: The aim of this paper is to examine shareholders’ reaction to the decision of the supervisory board to appoint a CEO in companies listed on the Warsaw Stock Exchange. Methodology: An event study and the mean-adjusted model were applied. The abnormal returns were measured as the CAAR in the entire (-60, + 60 window and selected sub-windows. Findings: The obtained values of abnormal returns indicate the shareholder’s negative reaction. Throughout the observation window, they oscillate slightly below zero, and in the window (0, +20 they are negative at -1.566%. Irrespective of the observation window, negative abnormal returns were obtained for over half of the observation (52–57%. Therefore, preliminary results indicate the predominance of the information effect over the real one. The decrease in market value as a result of the event may result from an increase in investors’ uncertainty as to the effects of changes in strategy and skills of the new CEO. Originality: The research is a unique one. To date, no one has carried out research into shareholders’ reaction to a CEO appointment in either the Polish or Central and Eastern European capital markets. They primarily bring the value of cognition of shareholders’ behaviour in the analysed event, which is reflected in share prices. They extend the literature on the signalization instruments, i.e. the activities that boards can undertake due to the new information transmitted to the capital market participants and stakeholders. The market reaction to a CEO appointment will without a doubt interest investors; the institutions responsible for supervision (which in the case of Poland is the Financial Oversight Commission and the legislator in charge of regulations that prevent insider trading while promoting corporate disclosure transparency.

75 FR 65449 - Stainless Steel Bar From India: Extension of Time Limit for the Preliminary Results of the...

Science.gov (United States)

2010-10-25

... DEPARTMENT OF COMMERCE International Trade Administration [A-533-810] Stainless Steel Bar From India: Extension of Time Limit for the Preliminary Results of the Antidumping Duty Administrative Review... initiation of an administrative review of the antidumping duty order on stainless steel bar from India...

77 FR 12008 - Certain Pasta From Italy: Extension of Time Limit for the Preliminary Results of Antidumping Duty...

Science.gov (United States)

2012-02-28

... DEPARTMENT OF COMMERCE International Trade Administration [A-475-818] Certain Pasta From Italy: Extension of Time Limit for the Preliminary Results of Antidumping Duty Administrative Review AGENCY: Import... notice of initiation of the administrative review of the antidumping duty order on certain pasta from...

Affinity Crystallography Reveals the Bioactive Compounds of Industrial Juicing Byproducts of Punica granatum for Glycogen Phosphorylase.

Science.gov (United States)

Stravodimos, George A; Kantsadi, Anastassia L; Apostolou, Anna; Kyriakis, Efthimios; Kafaski-Kanelli, Vassiliki-Nafsika; Solovou, Theodora; Gatzona, Pagona; Liggri, Panagiota G V; Theofanous, Stavroula; Gorgogietas, Vyron A; Kissa, Apostolia; Psachoula, Chariklia; Lemonakis, Angelos; Chatzileontiadou, Demetra S M; Psarra, Anna-Maria G; Skamnaki, Vassiliki T; Haroutounian, Serkos A; Leonidas, Demetres D

2018-01-01

Glycogen phosphorylase (GP) is a pharmaceutical target for the discovery of new antihyperglycaemic agents. Punica granatum is a well-known plant for its potent antioxidant and antimicrobial activities but so far has not been examined for antihyperglycaemic activity. The aim was to examine the inhibitory potency of eighteen polyphenolic extracts obtained from Punica granatum fruits and industrial juicing byproducts against GP and discover their most bioactive ingredients. Kinetic experiments were conducted to measure the IC50 values of the extracts while affinity crystallography was used to identify the most bioactive ingredient. The inhibitory effect of one of the polyphenolic extracts was also verified ex vivo, in HepG2 cells. All extracts exhibited significant in vitro inhibitory potency (IC50 values in the range of low μg/mL). Affinity crystallography revealed that the most bioactive ingredients of the extracts were chlorogenic and ellagic acids, found bound in the active and the inhibitor site of GP, respectively.While ellagic acid is an established GP inhibitor, the inhibition of chlorogenic acid is reported for the first time. Kinetic analysis indicated that chlorogenic acid is an inhibitor with Ki=2.5 x 10-3Mthat acts synergistically with ellagic acid. Our study provides the first evidence for a potential antidiabetic usage of Punica granatum extracts as antidiabetic food supplements. Although, more in vivo studies have to be performed before these extracts reach the stage of antidiabetic food supplements, our study provides a first positive step towards this process. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

FreeDam - A webtool for free-electron laser-induced damage in femtosecond X-ray crystallography

Science.gov (United States)

Jönsson, H. Olof; Östlin, Christofer; Scott, Howard A.; Chapman, Henry N.; Aplin, Steve J.; Tîmneanu, Nicuşor; Caleman, Carl

2018-03-01

Over the last decade X-ray free-electron laser (XFEL) sources have been made available to the scientific community. One of the most successful uses of these new machines has been protein crystallography. When samples are exposed to the intense short X-ray pulses provided by the XFELs, the sample quickly becomes highly ionized and the atomic structure is affected. Here we present a webtool dubbed FreeDam based on non-thermal plasma simulations, for estimation of radiation damage in free-electron laser experiments in terms of ionization, temperatures and atomic displacements. The aim is to make this tool easily accessible to scientists who are planning and performing experiments at XFELs.

ADREA-I: A transient three dimensional transport code for atmospheric and other applications - some preliminary results

International Nuclear Information System (INIS)

Bartzis, G.

1985-02-01

In this work a general description of the ADREA-I code is presented and some preliminary results are discussed. The ADREA-I is a transient three dimensional computer code aimed at transport analysis with particular emphasis on atmospheric dispersion under any realistic terrain conditions (complex or not) applicable to the planetary boundary layer in a distance extending up to a hundred kilometers or more. The complex geometry applications and the reasonable results obtained constitute a solid indication of the broad capability of the code. (author)

Spatial and temporal variation of radiocarbon in tree rings - some preliminary results

Energy Technology Data Exchange (ETDEWEB)

Higham, T.F.G.; Hogg, A.G. [Waikato Univ., Hamilton (New Zealand); McCormac, F.G.; Baillie, M.G.L.; Brown, D. [Queens`s University, Belfast, (Ireland). School of Geosciences; Palmer, J.G.; Xiong, L. [Lincoln University, Canterbury (New Zealand). Department of Plant Science

1997-12-31

A number of researchers have identified a measurable difference between the {sup 14}C activities of tree rings of identical dendochronological age between the Northern and the Southern Hemispheres. It is also acknowledged that there is an urgent need for new high precision {Delta}{sup 14}C data from tree rings in both Hemispheres to help resolve the questions relating to the magnitude and cause of the locality and temporal dependence of the {Delta}{sup 14}C record, to provide a reliable Southern Hemisphere calibration curve and to throw light upon the 1986 and 1993 Calibration data set discrepancies. In this paper, the authors present the research design of a project to investigate these critical issues in radiocarbon age calibration and describe the preliminary results. Paper no. 30; Extended abstract; 12 refs.

ACTPol: Status and preliminary CMB polarization results from the Atacama Cosmology Telescope

Science.gov (United States)

Koopman, Brian

2014-03-01

The Atacama Cosmology Telescope Polarimeter (ACTPol) is a polarization sensitive upgrade for the Atacama Cosmology Telescope, located at an elevation of 5190 m on Cerro Toco in Chile. In summer 2013, ACTPol achieved first light with one third of the final detector configuration. The remaining two thirds of the detector array will be installed during spring 2014, enabling full sensitivity, high resolution, observations at both 90 GHz and 150 GHz. Using approximately 3,000 transition-edge sensor bolometers, ACTPol will enable measurements of small angular scale polarization anisotropies in the Cosmic Microwave Background (CMB). I will present a status update for the ACTPol receiver and some preliminary results. ACTPol measurements will allow us to probe the spectral index of inflation as well as to constrain early dark energy and the sum of neutrino masses.

Preliminary results of hydrologic testing of the Umtanum Basalt Fracture Zone at borehole RRL-2 (3,781 to 3,827 ft)

International Nuclear Information System (INIS)

Strait, S.R.; Spane, F.A. Jr.

1983-02-01

This report presents preliminary results and description of hydrologic test activities for the Umtanum Basalt Fracture Zone at Borehole RRL-2, within the test interval 3,781 to 3,827 feet. Hydrologic tests conducted include two short-term, constant discharge pumping tests and two slug tests. Preliminary results indicate an observed hydraulic head for the test interval of 406.7 feet above mean sea level. Transmissivity values determined from hydrologic tests performed range between 205 and 881 ft 2 /day. The best estimate of equivalent hydraulic conductivity, based on an effective test thickness of 6 feet, is 147 ft/day. 8 refs., 6 figs., 3 tabs

Plans and Preliminary Results of Fundamental Studies of Ice Crystal Icing Physics in the NASA Propulsion Systems Laboratory

Science.gov (United States)

Struk, Peter; Tsao, Jen-Ching; Bartkus, Tadas

2017-01-01

This paper describes plans and preliminary results for using the NASA Propulsion Systems Lab (PSL) to experimentally study the fundamental physics of ice-crystal ice accretion. NASA is evaluating whether this facility, in addition to full-engine and motor-driven-rig tests, can be used for more fundamental ice-accretion studies that simulate the different mixed-phase icing conditions along the core flow passage of a turbo-fan engine compressor. The data from such fundamental accretion tests will be used to help develop and validate models of the accretion process. This paper presents data from some preliminary testing performed in May 2015 which examined how a mixed-phase cloud could be generated at PSL using evaporative cooling in a warmer-than-freezing environment.

Crystallography and Morphology of Niobium Carbide in As-Cast HP-Niobium Reformer Tubes

Science.gov (United States)

Buchanan, Karl G.; Kral, Milo V.

2012-06-01

The microstructures of two as-cast heats of niobium-modified HP stainless steels were characterized. Particular attention was paid to the interdendritic niobium-rich carbides formed during solidification of these alloys. At low magnifications, these precipitates are grouped in colonies of similar lamellae. Higher magnifications revealed that the lamellae actually obtain two distinct morphologies. The type I morphology exhibits broad planar interfaces with a smooth platelike shape. Type II lamellae have undulating interfaces and an overall reticulated shape. To provide further insight into the origin of these two different morphologies, the microstructure and crystallography of each have been studied in detail using high resolution scanning electron microscopy, transmission electron microscopy, various electron diffraction methods (electron backscatter diffraction (EBSD), selected area diffraction (SAD), and convergent beam electron diffraction (CBED)), and energy dispersive X-ray spectroscopy.

OCTOPUS: an innovative multimodal diffractometer for neutron macromolecular crystallography across the length scales

International Nuclear Information System (INIS)

Blakeley, M.P.; Andersen, K.; Kreuz, M.; Giroud, B.; McSweeney, S.; Mitchell, E.; Teixeira, S.C.M.; Forsyth, V.T.

2011-01-01

We propose to construct a novel protein diffractometer at position H112B. The new instrument will deliver major efficiency gains, as well as offering greatly extended flexibility through the option of several easily interchangeable modes of operation. This proposal builds on the demonstrable need to extend ILL's capacity for high resolution structural studies of protein systems, as well as a need to widen the scope of biological crystallography - in particular for monochromatic studies at both high and low resolution. The development will be carried out in close collaboration with structural biologists at the ESRF, and engineered in such a way that the user interface of the instrument (from sample to software) will be transparently identifiable to a large, dynamic, and driven community of European synchrotron X-ray macromolecular crystallographers. (authors)

Web-Ice: Integrated Data Collection and Analysis for Macromolecular Crystallography

International Nuclear Information System (INIS)

Gonzalez, Ana; Gonzalez, Ana; Moorhead, Penjit; McPhillips, Scott E.; Song, Jinhu; Sharp, Ken; Taylor, John R.; Adams, Paul D.; Sauter, Nicholas K.; Soltis, S. Michael

2007-01-01

New software tools are introduced to facilitate diffraction experiments involving large numbers of crystals. While existing programs have long provided a framework for lattice indexing, Bragg spot integration, and symmetry determination, these initial data processing steps often require significant manual effort. This limits the timely availability of data analysis needed for high-throughput procedures, including the selection of the best crystals from a large sample pool, and the calculation of optimal data collection parameters to assure complete spot coverage with minimal radiation damage. To make these protocols more efficient, we developed a network of software applications and application servers, collectively known as Web-Ice. When the package is installed at a crystallography beamline, a programming interface allows the beamline control software (e.g., Blu-Ice/DCSS) to trigger data analysis automatically. Results are organized based on a list of samples that the user provides, and are examined within a Web page, accessible both locally at the beamline or remotely. Optional programming interfaces permit the user to control data acquisition through the Web browser. The system as a whole is implemented to support multiple users and multiple processors, and can be expanded to provide additional scientific functionality. Web-Ice has a distributed architecture consisting of several stand-alone software components working together via a well defined interface. Other synchrotrons or institutions may integrate selected components or the whole of Web-Ice with their own data acquisition software. Updated information about current developments may be obtained at http://smb.slac.stanford.edu/research/developments/webice

Spectral Monitoring of AGN: Preliminary Results for Ark 564 and Arp 102B

Directory of Open Access Journals (Sweden)

Shapovalova A. I.

2011-09-01

Full Text Available We present preliminary results of the long-term spectral monitoring of two active galactic nuclei with different broad line shapes: Ark 564 and Arp 102B. Ark 564 is a bright nearby narrow-line Syfert 1 (NLS1 galaxy with relatively narrow permitted optical emission lines and a high Fe II/Hβ ratio, while Arp 102B is a nearby broad-line radio galaxy with broad double-peaked Balmer emission lines. The spectra of Ark 564 were observed during 11-year period (1999-2009 and the spectra of Arp 102B in the 12-year period (1998-2009, with SAO 6 m and 1 m telescopes (Russia and the OAGH 2.1 m telescope (Cananea, Mexico.

Preliminary Results from Integrating Compton Photon Polarimetry in Hall A of Jefferson Lab

International Nuclear Information System (INIS)

Parno, D; Friend, M; Benmokhtar, F; Franklin, G; Quinn, B; Michaels, R; Nanda, S; Souder, P

2011-01-01

A wide range of nucleon and nuclear structure experiments in Jefferson Lab's Hall A require precise, continuous measurements of the polarization of the electron beam. In our Compton polarimeter, electrons are scattered off photons in a Fabry-Perot cavity; by measuring an asymmetry in the integrated signal of the scattered photons detected in a GSO crystal, we can make non-invasive, continuous measurements of the beam polarization. Our goal is to achieve 1% statistical error within two hours of running. We discuss the design and commissioning of an upgrade to this apparatus, and report preliminary results for experiments conducted at beam energies from 3.5 to 5.9 GeV and photon rates from 5 to 100 kHz.

Life span studies on mice exposed to heavy charged particles or photons: preliminary results

International Nuclear Information System (INIS)

Ainsworth, E.J.

1980-01-01

This chapter summarizes the results currently available where dose-dependent mortality is compared among the single cohort that received fractionated doses of carbon ions and the first replicate that received single doses. At this time, 17% mortality has occurred in both groups and had enhanced life shortening been produced by fractionation of the carbon ion dose, somewhat higher mortality might be expected. Cautious interpretation of these preliminary results is necessary, but the mortality data available at this time provides no evidence for enhancement by dose fractionation with carbon ions. In sum, at this time, it appears the Q factor used for fission spectrum neutrons could be conservative if it were used for assessment of risk following exposure to 400 MeV carbon ions

Properties of ABNT 41xx and 86xx cast steel modified with niobium; evaluation methodology and experimental preliminary results

International Nuclear Information System (INIS)

Suzczynski, E.F.; Chatterjee, S.; Mueller, Arno

1982-01-01

The experimental methodology to evaluate the mechanical properties of ABNT 41xx and 86xx steels modified with NB in the as cast and heat treated conditions and the first preliminary results obtained in a laboratory scale, are presented. (Author) [pt

MAAP4 CANDU analysis of a generic CANDU-6 plant: preliminary results

Energy Technology Data Exchange (ETDEWEB)

Petoukhov, S.M.; Mathew, P.M

2001-10-01

To support the generic probabilistic safety analysis (PSA) program at AECL, in particular to conduct Level 2 PSA analysis of a CANDU 6 plant undergoing a postulated severe accident, the capability to conduct severe accident consequence analysis for a CANDU plant is required. For this purpose, AECL selected MAAP4 CANDU from a number of other severe accident codes. The necessary models for a generic CANDU 6 station have been implemented in the code, and the code version 0.2 beta was tested using station data, which were assembled for a generic CANDU 6 station. This paper describes the preliminary results of the consequence analysis using MAAP4 CANDU for a generic CANDU 6 station, when it undergoes a station blackout and a large loss-of-coolant accident scenario. The analysis results show that the plant response is consistent with the physical phenomena modeled and the failure criteria used. The results also confirm that the CANDU design is robust with respect to severe accidents, which is reflected in the calculated long times that are available for administering accident management measures to arrest the accident progression before the calandria vessel or containment become at risk. (author)

Preliminary results with the CLAMSUD pion spectrometer at the Moscow Meson Factory

International Nuclear Information System (INIS)

Badala, A.; Barbera, R.; Librizzi, F.; Longhitano, A.; Nicotra, D.; Palmeri, A.; Pappalardo, G.S.; Riggi, F.; Santoro, A.; Turrisi, R.; Aseev, V.; Feschenko, A.; Gavrilov, Yu.; Guber, F.; Golubeva, M.; Karavicheva, T.; Kurepin, A.; Ostroumov, P.; Potapov, V.; Tiflov, V.; Zhuravlev, A.

1995-01-01

A magnetic spectrometer has been recently installed at the new proton beam facility of the Moscow Meson Factory, to study charged pion production from proton-nucleus interactions at 200-400 MeV bombarding energy. Preliminary reults obtained during the first runs are reported. The planned physics program is also discussed. (orig.)

Preliminary Results on the Influence of Engineered Artificial Mucus Layer on Phonation

Science.gov (United States)

Döllinger, Michael; Gröhn, Franziska; Berry, David A.; Eysholdt, Ulrich; Luegmair, Georg

2014-01-01

Purpose: Previous studies have confirmed the influence of dehydration and an altered mucus (e.g., due to pathologies) on phonation. However, the underlying reasons for these influences are not fully understood. This study was a preliminary inquiry into the influences of mucus architecture and concentration on vocal fold oscillation. Method: Two…

Results of Preliminary Tests of PAR Bunch Cleaning

CERN Document Server

Yao, Chihyuan; Grelick, Arthur; Lumpkin, Alex H; Sereno, Nicholas S

2005-01-01

A particle accumulator ring (PAR) is used at the Advanced Photon Source (APS) to collect multiple linac bunches and compress them into a 0.3-ns (rms) single bunch for booster injection. A 9.77-MHz fundamental rf system and a 117.3-MHz harmonic rf system are employed for initial beam capture and bunch length compression. Satellite bunches with very low charge form due to rf phase drifts or beam loading change. These satellites, when injected into the booster and then into the storage ring (SR), cause bunch impurity at three buckets from the target bucket. Storage ring and booster bunch cleaning was tried but proved to be difficult due to the top-up mode of operation in the storage ring and tune drift in the booster synchrotron. Recently we implemented a PAR bunch-cleaning system with tune-modulated harmonic rf knockout. Preliminary tests gave a measured SR bunch purity of better than 10

77 FR 33395 - Light-Walled Rectangular Pipe and Tube From Turkey: Notice of Preliminary Results of Antidumping...

Science.gov (United States)

2012-06-06

... Noksel did not make sales at less than normal value (NV) during the POR. If these preliminary results are... chromium, or 0.30 percent of cobalt, or 0.40 percent of lead, or 1.25 percent of nickel, or 0.30 percent of... questionnaire and 19 CFR 351.414(e)(2), Noksel requested that the reporting period for home market sales be...

The MACHO Project: Preliminary Results from 4 years of SMC observations.

Science.gov (United States)

Vandehei, T.; Griest, K.; Lehner, M.; Alcock, C.; Alves, D.; Cook, K.; Marshall, S.; Minniti, D.; Allsman, R.; Axelrod, T.; Freeman, K.; Peterson, B.; Rodgers, A.; Pratt, M.; Becker, A.; Stubbs, C.; Tomaney, A.; Bennett, D.; Quinn, P.; Sutherland, W.; Welch, D.

1997-12-01

The MACHO project is a search for dark matter in the form of massive compact halo objects(MACHOs). The project has photometrically monitored tens of millions of stars in the Large Magellanic Cloud (LMC), Small Magellanic Cloud (SMC), and Galactic bulge in search of rare gravitational microlensing events caused by these otherwise invisible objects. Microlensing toward the LMC has allowed powerful statements to be made about the dark population in the halo of our Galaxy, indicating that the MACHO halo fraction could be as high as f=0.5 with a most probable MACHO mass being ~ 0.5Msun. However, to date the LMC has been the only line of sight out of our Galaxy's halo. Clearly, another line of sight would provide a consistency check on these results, as well as another contraint on models of the halo, in particular on halo flattening. The SMC affords us this second line of sight. Here we give a status report on our upcoming 4 year results toward the SMC. We present the results of a preliminary analysis on over 2.2 million stars from 3 square degrees and discuss the implications for the dark matter in the halo of our Galaxy. A detailed analysis of the microlensing candidates toward the SMC, with blending and parallax fits, will be shown. This work is dedicated to the memory of Alex Rodgers.

Persian competing word test: Development and preliminary results in normal children

Directory of Open Access Journals (Sweden)

Mohammad Ebrahim Mahdavi

2008-12-01

Full Text Available Background and Aim: Assessment of central auditory processing skills needs various behavioral tests in format of a test battery. There is a few Persian speech tests for documenting central auditory processing disorders. The purpose of this study was developing a dichotic test formed of one-syllabic words suitable for evaluation of central auditory processing in Persian language children and reporting its preliminary results in a group of normal children.Materials and Methods: Persian words in competing manner test was developed utilizing most frequent monosyllabic words in children storybooks reported in the previous researches. The test was performed at MCL on forty-five normal children (39 right-handed and 6 left-handed aged 5-11 years. The children did not show any obvious problem in hearing, speech, language and learning. Free (n=28 and directed listening (n=17 tasks were investigated.Results: The results show that in directed listening task, there is significant advantage for performance of pre-cued ear relative to opposite side. Right ear advantage is evident in free recall condition. Average performance of the children in directed recall is significantly better than free recall. Average row score of the test increases with the children age.Conclusion: Persian words in competing manner test as a dichotic test, can show major characteristics of dichotic listening and effect of maturation of central auditory system on it in normal children.

Preliminary clinical results of locoregional hyperthermia for primary and secondary bone tumors

Energy Technology Data Exchange (ETDEWEB)

Zhu, J.L.; Nagata, Yasushi; Kanamori, Shuichi; Mitsumori, Michihide; Okuno, Yoshishige; Horii, Naotoshi; Nishimura, Yasumasa; Masunaga, Shinitiro; Hiraoka, Masahiro [Kyoto Univ. (Japan). Graduate School of Medicine

2000-03-01

Nineteen primary and secondary bone tumors in 16 patients were treated with hyperthermia plus radiotherapy and/or chemotherapy between 1982 and 1997 at Kyoto University Hospital. The thermometric and clinical results were analyzed retrospectively. In 55 of 86 hyperthermia sessions, the intratumor temperature was measured using a thermometer. Of the 19 tumors, 16 (84%) received heat treatment 4-7 times, and 3 (16%) received 1 or 2 treatments of hyperthermia. The mean maximum, mean minimum and average intratumor temperatures were 42.9, 40.4 and 41.6 deg C, respectively, and 12 (67%) reached a tumor maximum temperature above 42.5 deg C. The durations that intratumor points exceeded 42, 41 and 40 deg C were 27, 34 and 38 min, respectively. The local tumor response to treatment was assessed using X-ray computed tomography. The local response rate was 16% and the local pain relief rate was 63%. The 1-year cumulative survival rate was 60%. Our preliminary results indicated that thermoradiotherapy and thermochemotherapy are clinicaly feasible and potentially beneficial in the management of locally advanced bone tumors. (author)

Synthesis, X-ray crystallography, and computational analysis of 1-azafenestranes.

Science.gov (United States)

Denmark, Scott E; Montgomery, Justin I; Kramps, Laurenz A

2006-09-06

The tandem [4+2]/[3+2] cycloaddition of nitroalkenes has been employed in the synthesis of 1-azafenestranes, molecules of theoretical interest because of planarizing distortion of their central carbon atoms. The synthesis of c,c,c,c-[5.5.5.5]-1-azafenestrane was completed in good yield from a substituted nitrocyclopentene, and its borane adduct was analyzed through X-ray crystallography, which showed a moderate distortion from ideal tetrahedral geometry. The syntheses of two members of the [4.5.5.5] family of 1-azafenestranes are also reported, including one with a trans fusion at a bicyclic ring junction which brings about considerable planarization of one of the central angles (16.8 degrees deviation from tetrahedral geometry). While investigating the [4.5.5.5]-1-azafenestranes, a novel dyotropic rearrangement that converts nitroso acetals into tetracyclic aminals was discovered. Through conformational analysis, a means to prevent this molecular reorganization was formulated and realized experimentally with the use of a bulky vinyl ether in the key [4+2] cycloaddition reaction. Finally, DFT calculations on relative strain energy for the 1-azafenestranes, as well as their predicted central angles, are disclosed.

Constraining back-arc basin formation in the eastern Coral Sea: preliminary results from the ECOSAT voyage

Science.gov (United States)

Seton, M.; Williams, S.; Mortimer, N. N.; Meffre, S.; Moore, J.; Micklethwaite, S.; Zahirovic, S.

2013-12-01

The eastern Coral Sea region is an underexplored area at the northeastern corner of the Australian plate, where long-lived interaction between the Pacific and Australian plate boundaries has resulted in an intricate assemblage of deep oceanic basins and ridges, continental fragments and volcanic products. A paucity of marine geophysical and geological data from this complex region has resulted in the lack of a clear conceptual framework to describe its formation, ultimately affecting our understanding of the connection between the plate boundaries of the SW Pacific and SE Asia. In particular, the tectonic relationship between two back-arc basins, the Santa Cruz and d'Entrecasteaux Basins, and the South Rennell Trough, has yet to be resolved. In October-November, 2012, we collected 6,200 km of marine magnetic, 6,800 km of gravity and over 13,600 km2 of swath bathymetry data from the eastern Coral Sea onboard the RV Southern Surveyor. A complementary dredging program yielded useful samples from 14 seafloor sites. Our preliminary geochemical interpretation of the dredge samples obtained from the South Rennell Trough reveal volcanic rocks resembling MORB or BABB-type basalts, similar in composition to the recently re-analysed and dated ORSTOM dredges from the area that yielded ~28 Ma MORB-like basalts. Swath bathymetry profiles from the Santa Cruz Basin reveal that the South Rennell Trough extends into this basin, with seafloor spreading fabric being parallel to the trough. Preliminary analysis of the three full and four partial new magnetic anomaly profiles across the Santa Cruz Basin, coupled with limited existing profiles, reveals that the basin may have formed between Chrons 13-18 (~32-38 Ma), with an extinct spreading ridge along the inferred continuation of the South Rennell Trough, consistent with ORSTOM age dates. Our results suggest that the South Rennell Trough is an extinct southwestward propagating spreading ridge, which may have initiated along a pre

A Morphing Technique Applied to Lung Motions in Radiotherapy: Preliminary Results

Directory of Open Access Journals (Sweden)

R. Laurent

2010-01-01

Full Text Available Organ motion leads to dosimetric uncertainties during a patient’s treatment. Much work has been done to quantify the dosimetric effects of lung movement during radiation treatment. There is a particular need for a good description and prediction of organ motion. To describe lung motion more precisely, we have examined the possibility of using a computer technique: a morphing algorithm. Morphing is an iterative method which consists of blending one image into another image. To evaluate the use of morphing, Four Dimensions Computed Tomography (4DCT acquisition of a patient was performed. The lungs were automatically segmented for different phases, and morphing was performed using the end-inspiration and the end-expiration phase scans only. Intermediate morphing files were compared with 4DCT intermediate images. The results showed good agreement between morphing images and 4DCT images: fewer than 2 % of the 512 by 256 voxels were wrongly classified as belonging/not belonging to a lung section. This paper presents preliminary results, and our morphing algorithm needs improvement. We can infer that morphing offers considerable advantages in terms of radiation protection of the patient during the diagnosis phase, handling of artifacts, definition of organ contours and description of organ motion.

Posterior perineal support as treatment for anal fissures--preliminary results with a new toilet seat device.

Science.gov (United States)

Tan, Kok-Yang; Seow-Choen, Francis; Hai, Chew Heng; Thye, Gan Kok

2009-03-01

Anal fissures can cause morbidity in an otherwise healthy young patient. The process of evacuation results in stretching and descent of the anoderm and perineum especially posteriorly. Posterior perineal support may provide counter pressure at the posterior aspect of the pelvic floor, balancing the pressure exerted by the faeces on the anal wall, thus improving evacuation and reducing the trauma associated with it, and reducing symptoms of anal fissures. Symptoms of constipation may also be reduced secondarily. We report the preliminary results with a novel, simple and noninvasive method of treatment provided by a toilet seat device. A prospective study was performed in 32 patients. The study was designed mainly to investigate the patients' subjective perceptions of their symptoms related to anal fissures and constipation. Questionnaires were provided to patients before, during and after treatment. The study revealed statistically significant improvement in pain, bleeding, symptoms of constipation and abdominal discomfort after 3 months usage of the device. The odds of patients perceiving an improvement in symptoms were also significantly increased after 3 months of treatment compared to 2 weeks of treatment. This preliminary study revealed that a posterior perineal support device can bring about significant improvement in the symptoms of patients with anal fissures. There may also be secondary benefits of a reduction in the symptoms of constipation. Although not conclusive, these results should serve as a springboard for further research into this area.

76 FR 62761 - Stainless Steel Bar From India: Extension of Time Limit for the Preliminary Results of the 2010...

Science.gov (United States)

2011-10-11

... DEPARTMENT OF COMMERCE International Trade Administration [A-533-810] Stainless Steel Bar From India: Extension of Time Limit for the Preliminary Results of the 2010-2011 Antidumping Duty... review of the antidumping duty order on stainless steel bar from India, covering the period February 1...

Subclinical myocardial dysfunction by tissue Doppler echocardiography in primary antiphospholipid syndrome: Preliminary results

Directory of Open Access Journals (Sweden)

Tarcila Fontes de Lima Gomes Lucena

2018-01-01

Conclusion: The present study demonstrated subclinical myocardial dysfunction using TDI in asymptomatic PAPS patients. TDI is non-invasive and cost effective. Prospective studies including a large number of participants in order to confirm these preliminary data are needed.

1,4,8,11-Tetra[2-aryl-1-diazenyl]-1,4,8,11-tetraazacyclotetradecanes - synthesis, characterization, and x-ray crystallography of the first tetrakistriazenes to be reported

Energy Technology Data Exchange (ETDEWEB)

Clarke, J.D.; Vaughan, K. [Dept. of Chemistry, Saint Mary' s Univ., Halifax, Nova Scotia (Canada)], E-mail: keith.vaughan@smu.ca; Bertolasi, V. [Dipartimento di Chimica and Centro di Strutturistica Diffrattometrica, Universita' di Ferrara, Ferrara (Italy)

2006-10-15

The reactions of a series of arene diazonium salts with 1,4,8,11-tetraazacyclotetradecane (cyclam) afford the novel compounds, the 1,4,8,11-tetra[2-aryl-1-diazenyl]-1,4,8,11-tetraazacyclotetradecanes (1a-1f), which are the first examples of tetrakistriazenes to be reported. The tetrakistriazenes were characterized by IR spectroscopy, proton and carbon NMR, elemental analysis, high resolution electrospray mass spectrometry, and X-ray crystallography. The analogous reaction of a diazonium salt with 1,4,7-triazacyclononane or 1,5,9-triazacyclododecane yields the tristriazenes 2, 3a, and 3b. The structures of compounds 1c and 1e were solved by X-ray crystallography at low temperature (150 K). Both molecules display a conformation where the four phenyltriazenyl groups point alternately upwards and downwards with respect to the mean macrocyclic plane. (author)

1,4,8,11-Tetra[2-aryl-1-diazenyl]-1,4,8,11-tetraazacyclotetradecanes - synthesis, characterization, and x-ray crystallography of the first tetrakistriazenes to be reported

International Nuclear Information System (INIS)

Clarke, J.D.; Vaughan, K.; Bertolasi, V.

2006-01-01

The reactions of a series of arene diazonium salts with 1,4,8,11-tetraazacyclotetradecane (cyclam) afford the novel compounds, the 1,4,8,11-tetra[2-aryl-1-diazenyl]-1,4,8,11-tetraazacyclotetradecanes (1a-1f), which are the first examples of tetrakistriazenes to be reported. The tetrakistriazenes were characterized by IR spectroscopy, proton and carbon NMR, elemental analysis, high resolution electrospray mass spectrometry, and X-ray crystallography. The analogous reaction of a diazonium salt with 1,4,7-triazacyclononane or 1,5,9-triazacyclododecane yields the tristriazenes 2, 3a, and 3b. The structures of compounds 1c and 1e were solved by X-ray crystallography at low temperature (150 K). Both molecules display a conformation where the four phenyltriazenyl groups point alternately upwards and downwards with respect to the mean macrocyclic plane. (author)

Polarimetry at 1.3 mm using MILLIPOL - methods and preliminary results for Orion

International Nuclear Information System (INIS)

Barvainis, R.; Clemens, D.P.; Leach, R.

1988-01-01

This paper describes a polarimeter for use at wavelengths near 1 mm, designed to be self-contained and portable. Only minor modifications should be required to adapt this instrument for use on any of several millimeter and submillimeter telescopes. The polarimeter system and data-taking techniques are described, and a preliminary measurement is reported of the polarized dust emission from the Orion KL region at 1.3 mm using the NRAO 12 m telescope. The results are similar to previous polarization measurements of Orion at far-infrared and submillimeter wavelengths. The magnetic field direction implied by the polarization position angle is parallel to that found in the surrounding Orion region using optical and near- to midinfrared polarimetric techniques. 17 references

Native State Mass Spectrometry, Surface Plasmon Resonance, and X-ray Crystallography Correlate Strongly as a Fragment Screening Combination.

Science.gov (United States)

Woods, Lucy A; Dolezal, Olan; Ren, Bin; Ryan, John H; Peat, Thomas S; Poulsen, Sally-Ann

2016-03-10

Fragment-based drug discovery (FBDD) is contingent on the development of analytical methods to identify weak protein-fragment noncovalent interactions. Herein we have combined an underutilized fragment screening method, native state mass spectrometry, together with two proven and popular fragment screening methods, surface plasmon resonance and X-ray crystallography, in a fragment screening campaign against human carbonic anhydrase II (CA II). In an initial fragment screen against a 720-member fragment library (the "CSIRO Fragment Library") seven CA II binding fragments, including a selection of nonclassical CA II binding chemotypes, were identified. A further 70 compounds that comprised the initial hit chemotypes were subsequently sourced from the full CSIRO compound collection and screened. The fragment results were extremely well correlated across the three methods. Our findings demonstrate that there is a tremendous opportunity to apply native state mass spectrometry as a complementary fragment screening method to accelerate drug discovery.

Preliminary PCA/TT Results on MRO CRISM Multispectral Images

Science.gov (United States)

Klassen, David R.; Smith, M. D.

2010-10-01

Mars Reconnaissance Orbiter arrived at Mars in March 2006 and by September had achieved its science-phase orbit with the Compact Reconnaissance Imaging Spectrometer for Mars (CRISM) beginning its visible to near-infrared (VIS/NIR) spectral imaging shortly thereafter. One goal of CRISM is to fill in the spatial gaps between the various targeted observations, eventually mapping the entire surface. Due to the large volume of data this would create, the instrument works in a reduced spectral sampling mode creating "multispectral” images. From these data we can create image cubes using 64 wavelengths from 0.410 to 3.923 µm. We present here our analysis of these multispectral mode data products using Principal Components Analysis (PCA) and Target Transformation (TT) [1]. Previous work with ground-based images [2-5] has shown that over an entire visible hemisphere, there are only three to four meaningful components using 32-105 wavelengths over 1.5-4.1 µm the first two are consistent over all temporal scales. The TT retrieved spectral endmembers show nearly the same level of consistency [5]. The preliminary work on the CRISM images cubes implies similar results; three to four significant principal components that are fairly consistent over time. These components are then used in TT to find spectral endmembers which can be used to characterize the surface reflectance for future use in radiative transfer cloud optical depth retrievals. We present here the PCA/TT results comparing the principal components and recovered endmembers from six reconstructed CRISM multi-spectral image cubes. References: [1] Bandfield, J. L., et al. (2000) JGR, 105, 9573. [2] Klassen, D. R. and Bell III, J. F. (2001) BAAS 33, 1069. [3] Klassen, D. R. and Bell III, J. F. (2003) BAAS, 35, 936. [4] Klassen, D. R., Wark, T. J., Cugliotta, C. G. (2005) BAAS, 37, 693. [5] Klassen, D. R. (2009) Icarus, 204, 32.

Correlating element atmospheric deposition and cancer mortality in Portugal: Data handling and preliminary results

International Nuclear Information System (INIS)

Sarmento, S.; Wolterbeek, H.Th.; Verburg, T.G.; Freitas, M.C.

2008-01-01

This study, framed within geographical epidemiology, presents preliminary findings concerning the association between the concentrations of chemical elements obtained through atmospheric biomonitoring with lichens and cancer mortality in the Portuguese population. Exploratory analyses were performed to identify potential confounders for the relationships between chemical elements and neoplasm mortality and to assess the extent of their interference. The results of this study highlight some methodological and conceptual difficulties inherent to observational and geographical studies, in the specific context of the Portuguese population, and the challenge posed by the large numbers of pollutants considered. - Relationship between chemical elements and mortality from neoplasms in the Portuguese population and the effect of confounders

Natural Gamma Emitters after a Selective Chemical Separation of a TENORM residue: Preliminary Results

International Nuclear Information System (INIS)

Alves de Freitas, Antonio; Abrao, Alcidio; Godoy dos Santos, Adir Janete; Pecequilo, Brigitte Roxana Soreanu

2008-01-01

An analytical procedure was established in order to obtain selective fractions containing radium isotopes ( 228 Ra), thorium ( 232 Th), and rare earths from RETOTER (REsiduo de TOrio e TErras Raras), a solid residue rich in rare earth elements, thorium isotopes and small amount of natural uranium generated from the operation of a thorium pilot plant for purification and production of pure thorium nitrate at IPEN -CNEN/SP. The paper presents preliminary results of 228 Ra, 226 Ra, 238 U, 210 Pb, and 40 K concentrations in the selective fractions and total residue determined by high-resolution gamma spectroscopy, considering radioactive equilibrium of the samples

Porous titanium obtained by a new powder metallurgy technique: Preliminary results of human osteoblast adhesion on surface polished substrates.

Science.gov (United States)

Biasotto, M; Ricceri, R; Scuor, N; Schmid, C; Sandrucci, M A; Di Lenarda, R; Matteazzi, P

2003-01-01

This study concerns a novel powder metallurgy method for producing porous titanium (pTi) exhibiting high mechanical properties. The preparation procedure consisted of the following stages: first, the preparation of Ti and titanium hydride (TiH2) powder mixtures and their consolidation with a cold isostatic press, followed by a sintering of the green bodies performed with hot isostatic press (HIP) equipment. Thermal decomposition in controlled environment of the TiH2 phase results in the foam structure. The resulting porosity percolates with a volume fraction of approximately 20%. The final material exhibits interesting mechanical properties, comparable to those of full density titanium (between grade 2 and grade 3), with the advantage of a minor density. The samples produced were tested to verify their biological response by studying the effectiveness of osteoblast adhesion and growth. In this preliminary study, osteoblastic cell morphology was investigated and compared to that observed on fully dense commercially pure titanium (Ti-cp) (ASTM, grade 3). The preliminary results were promising regarding cellular adhesion and spreading. (Journal of Applied Biomaterials & Biomechanics 2003; 1: 172-7).

Latest Developments in Data Analysis and Structure Determination and Refinement: Software for Chemical Crystallography

International Nuclear Information System (INIS)

Dix, I.; Adam, M.; Jacob, H. F.; Roter, A.

2003-01-01

The introduction of a two-dimensional CCD X-ray detector nearly 10 years ago by Bruker started a revolution in chemical crystallography. Since then, crystallographers can accomplish a complete data collection even of small and poorly scattering crystals in a few hours instead of days. The launch of the kappa geometry by Nonius a few years ago beforehand equally revolutionized the field of single crystal diffractometry. Currently Bruker Nonius has far more than 500 CCD systems installed. The latest development of Bruker Nonius, the X8 APEX, is the powerful combination of both: the APEX CCD detector and the unique Kappa four-circle goniometer. The APEX 4K CCD detector provides the utmost sensitivity, while the Kappa four-circle goniometer offers a very open geometry, granting all the flexibility to align any crystallographic axis. This provides a more efficient data collection for axial photographs to investigate e.g. diffuse scattering or incommensurate structures. Even the crystal-detector distance is computer-controlled for precise and superior data collection. The X8 APEX software suite gives a whole new look to the CCD users interface. It not only has improved data collection abilities, but also guides the chemist or mineralogist through gathering the raw crystal data to producing the final crystal structure. It provides context-dependent menus, which are well-known from business software packages such as Outlook. The tools for unit cell determination, views into reciprocal space, optimisation of the data collection strategy, data integration, scaling and correcting (SADABS) as well as tools for structure solving and refining (SHELXTL package) will be presented. Low temperature work has become an essential tool for challenging samples. The Bruker Nonius Kryo-Flex cryogenic device makes chemical crystallography at low temperatures a routine method in your laboratory. Of course, the Kryo-Flex is fully controlled by the new graphical user interface of the X8 APEX

Extremity exposure in nuclear medicine: Preliminary results of a European study

International Nuclear Information System (INIS)

Merce, M. S.; Ruiz, N.; Barth, I.; Carnicer, A.; Donadille, L.; Ferrari, P.; Fulop, M.; Ginjaume, M.; Gualdrini, G.; Krim, S.; Mariotti, F.; Ortega, X.; Rimpler, A.; Vanhavere, F.; Baechler, S.

2011-01-01

The Work Package 4 of the ORAMED project, a collaborative project (2008-11) supported by the European Commission within its seventh Framework Programme, is concerned with the optimisation of the extremity dosimetry of medical staff in nuclear medicine. To evaluate the extremity doses and dose distributions across the hands of medical staff working in nuclear medicine departments, an extensive measurement programme has been started in 32 nuclear medicine departments in Europe. This was done using a standard protocol recording all relevant information for radiation exposure, i.e. radiation protection devices and tools. This study shows the preliminary results obtained for this measurement campaign. For diagnostic purposes, the two most-used radionuclides were considered: 99m Tc) and 18 F. For therapeutic treatments, Zevalin R and DOTATOC (both labelled with 90 Y) were chosen. Large variations of doses were observed across the hands depending on different parameters. Furthermore, this study highlights the importance of the positioning of the extremity dosemeter for a correct estimate of the maximum skin doses. (authors)

High dose rate brachytherapy (HDRB) in prostate cancer - technique description and preliminary results

International Nuclear Information System (INIS)

Cordova Junior, Ardo Lotar; Salvajoli, Joao Victor; Pelizzon, Antonio CAssio Assis; Cecilio, Paulo Jose

1998-01-01

Describe the technique and preliminary results of high dose rate brachytherapy (HDRB) in localized prostate cancer. Subjects methods: Between March, 1997 and April, 1998, 26 patients were treated with external beam radiotherapy (45 to 50.4 Gy - 1.8 Gy per day) and implants (16 Gy in 2 days - twice a day). Median age was 68 years. The distribution by clinical stage was: 5 T1c, 9 T2a, 10 T2b and 2 T3a. Median initial PSA was 16 ng/ml. Results: With a median follow-up of 4 months, 85% of patients showed normal levels of PSA, with a median of 0.6 ng/ml, 60 to 90 days after treatment. Dysuria grades 1 and 2 and proctitis grade 1 were found in 11,3 and 5 patients, respectively. Conclusion: The method is safe, with acceptable early side effects. Longer follow-up is necessary before drawing any conclusions. (author)

Preliminary test results from a free-piston Stirling engine technology demonstration program to support advanced radioisotope space power applications

International Nuclear Information System (INIS)

White, Maurice A.; Qiu Songgang; Augenblick, Jack E.

2000-01-01

Free-piston Stirling engines offer a relatively mature, proven, long-life technology that is well-suited for advanced, high-efficiency radioisotope space power systems. Contracts from DOE and NASA are being conducted by Stirling Technology Company (STC) for the purpose of demonstrating the Stirling technology in a configuration and power level that is representative of an eventual space power system. The long-term objective is to develop a power system with an efficiency exceeding 20% that can function with a high degree of reliability for up to 15 years on deep space missions. The current technology demonstration convertors (TDC's) are completing shakedown testing and have recently demonstrated performance levels that are virtually identical to projections made during the preliminary design phase. This paper describes preliminary test results for power output, efficiency, and vibration levels. These early results demonstrate the ability of the free-piston Stirling technology to exceed objectives by approximately quadrupling the efficiency of conventional radioisotope thermoelectric generators (RTG's)

Preliminary test results from a free-piston Stirling engine technology demonstration program to support advanced radioisotope space power applications

Science.gov (United States)

White, Maurice A.; Qiu, Songgang; Augenblick, Jack E.

2000-01-01

Free-piston Stirling engines offer a relatively mature, proven, long-life technology that is well-suited for advanced, high-efficiency radioisotope space power systems. Contracts from DOE and NASA are being conducted by Stirling Technology Company (STC) for the purpose of demonstrating the Stirling technology in a configuration and power level that is representative of an eventual space power system. The long-term objective is to develop a power system with an efficiency exceeding 20% that can function with a high degree of reliability for up to 15 years on deep space missions. The current technology demonstration convertors (TDC's) are completing shakedown testing and have recently demonstrated performance levels that are virtually identical to projections made during the preliminary design phase. This paper describes preliminary test results for power output, efficiency, and vibration levels. These early results demonstrate the ability of the free-piston Stirling technology to exceed objectives by approximately quadrupling the efficiency of conventional radioisotope thermoelectric generators (RTG's). .

Improved self-exclusion program: preliminary results.

Science.gov (United States)

Tremblay, Nicole; Boutin, Claude; Ladouceur, Robert

2008-12-01

The gambling industry has offered self-exclusion programs for quite a long time. Such measures are designed to limit access to gaming opportunities and provide problem gamblers with the help they need to cease or limit their gambling behaviour. However, few studies have empirically evaluated these programs. This study has three objectives: (1) to observe the participation in an improved self-exclusion program that includes an initial voluntary evaluation, phone support, and a mandatory meeting, (2) to evaluate satisfaction and usefulness of this service as perceived by self-excluders, (3) to measure the preliminary impact of this improved program. One hundred sixteen self-excluders completed a questionnaire about their satisfaction and their perception of the usefulness during the mandatory meeting. Among those participants, 39 attended an initial meeting. Comparisons between data collected at the initial meeting and data taken at the final meeting were made for those 39 participants. Data showed that gamblers chose the improved self-exclusion program 75% of the time; 25% preferred to sign a regular self-exclusion contract. Among those who chose the improved service, 40% wanted an initial voluntary evaluation and 37% of these individuals actually attended that meeting. Seventy percent of gamblers came to the mandatory meeting, which was a required condition to end their self-exclusion. The majority of participants were satisfied with the improved self-exclusion service and perceived it as useful. Major improvements were observed between the final and the initial evaluation on time and money spent, consequences of gambling, DSM-IV score, and psychological distress. The applicability of an improved self-exclusion program is discussed and, as shown in our study, the inclusion of a final mandatory meeting might not be so repulsive for self-excluders. Future research directives are also proposed.

Ocean surface waves and winds over the north Indian Ocean from satellite altimeter - preliminary results of SAC-NIO joint project

Digital Repository Service at National Institute of Oceanography (India)

Sarkar, A.; Rajkumar, R.; Gairola, R.M.; Gohil, B.S.; Vethamony, P.; Rao, L.V.G.

the respective correlation coefficients. Preliminary results with limited processed data showed that the correlation coefficients are approximately 0.6. Sample maps of wave and wind (satellite derived) in 2.5 degrees x 2.5 degrees grids have been prepared...

DA+ data acquisition and analysis software at the Swiss Light Source macromolecular crystallography beamlines.

Science.gov (United States)

Wojdyla, Justyna Aleksandra; Kaminski, Jakub W; Panepucci, Ezequiel; Ebner, Simon; Wang, Xiaoqiang; Gabadinho, Jose; Wang, Meitian

2018-01-01

Data acquisition software is an essential component of modern macromolecular crystallography (MX) beamlines, enabling efficient use of beam time at synchrotron facilities. Developed at the Paul Scherrer Institute, the DA+ data acquisition software is implemented at all three Swiss Light Source (SLS) MX beamlines. DA+ consists of distributed services and components written in Python and Java, which communicate via messaging and streaming technologies. The major components of DA+ are the user interface, acquisition engine, online processing and database. Immediate data quality feedback is achieved with distributed automatic data analysis routines. The software architecture enables exploration of the full potential of the latest instrumentation at the SLS MX beamlines, such as the SmarGon goniometer and the EIGER X 16M detector, and development of new data collection methods.

Purification, crystallization and preliminary crystallographic analysis of the SH2 domain of IL-2-inducible T-cell kinase.

Science.gov (United States)

Joseph, Raji E; Ginder, Nathaniel D; Hoy, Julie A; Nix, Jay C; Honzatko, Richard B; Andreotti, Amy H

2011-02-01

Proline is a unique amino acid owing to the relatively small energy difference between the cis and trans conformations of its peptide bond. The X-Pro imide bond readily undergoes cis-trans isomerization in the context of short peptides as well as some proteins. However, the direct detection of cis-trans proline isomerization in folded proteins is technically challenging. NMR spectroscopy is well suited to the direct detection of proline isomerization in folded proteins. It is less clear how well X-ray crystallography can reveal this conformational exchange event in folded proteins. Conformational heterogeneity owing to cis-trans proline isomerization in the Src homology 2 (SH2) domain of the IL-2-inducible T-cell kinase (ITK) has been extensively characterized by NMR. Using the ITK SH2 domain as a test system, an attempt was made to determine whether proline isomerization could be detected in a crystal structure of the ITK SH2 domain. As a first step towards this goal, the purification, crystallization and preliminary characterization of the ITK SH2 domain are described.

Preliminary systems-interaction results from the Digraph Matrix Analysis of the Watts Bar Nuclear Power Plant safety-injection systems

International Nuclear Information System (INIS)

Sacks, I.J.; Ashmore, B.C.; Champney, J.M.; Alesso, H.P.

1983-06-01

This report provides preliminary results generated by a Digraph Matrix Analysis (DMA) for a Systems Interaction analysis performed on the Safety Injection System of the Tennessee Valley Authority Watts Bar Nuclear Power Plant. An overview of DMA is provided along with a brief description of the computer codes used in DMA

Preliminary results from Brookhaven Experiment 802 with 14.5 GeVu 28Si

International Nuclear Information System (INIS)

1987-01-01

Preliminary data on beam calorimetry, charged particle multiplicities, pseudo-rapidity distributions and hadron spectroscopy from 28 Si + Al and Au at 14.5 GeV per nucleon are presented. Comments on nuclear stopping, multiplicity systematics, and Kπ ratios are offered. 5 refs., 6 figs., 1 tab

Religious versus Conventional Psychotherapy for Major Depression in Patients with Chronic Medical Illness: Rationale, Methods, and Preliminary Results

Directory of Open Access Journals (Sweden)

Harold G. Koenig

2012-01-01

Full Text Available This paper (1 reviews the physical and religious barriers to CBT that disabled medically ill-depressed patients face, (2 discusses research on the relationship between religion and depression-induced physiological changes, (3 describes an ongoing randomized clinical trial of religious versus secular CBT in chronically ill patients with mild-to-moderate major depression designed to (a overcome physical and religious barriers to CBT and (b compare the efficacy of religious versus secular CBT in relieving depression and improving immune and endocrine functions, and (4 presents preliminary results that illustrate the technical difficulties that have been encountered in implementing this trial. CBT is being delivered remotely via instant messaging, telephone, or Skype, and Christian, Jewish, Muslim, Buddhist, and Hindu versions of religious CBT are being developed. The preliminary results described here are particular to the technologies employed in this study and are not results from the CBT clinical trial whose findings will be published in the future after the study ends and data are analyzed. The ultimate goal is to determine if a psychotherapy delivered remotely that integrates patients’ religious resources improves depression more quickly than a therapy that ignores them, and whether religious CBT is more effective than conventional CBT in reversing depression-induced physiological changes.

Mapping the topographic epitope landscape on the urokinase plasminogen activator receptor (uPAR) by surface plasmon resonance and X-ray crystallography

DEFF Research Database (Denmark)

Zhao, Baoyu; Gandhi, Sonu; Yuan, Cai

2015-01-01

The urokinase-type plasminogen activator receptor (uPAR or CD87) is a glycolipid-anchored membrane protein often expressed in the microenvironment of invasive solid cancers and high levels are generally associated with poor patient prognosis (Kriegbaum et al., 2011 [1]). uPAR is organized as a dy...... of these mAbs by X-ray crystallography alone and in complex with uPAR [deposited in the PDB database as 4QTH and 4QTI, respectively]....

Biological image construction by using Raman radiation and Pca: preliminary results

International Nuclear Information System (INIS)

Martinez E, J. C.; Cordova F, T.; Hugo R, V.

2015-10-01

Full text: In the last years, the Raman spectroscopy (Rs) technique has had some applications in the study and analysis of biological samples, due to it is able to detect concentrations or presence of certain organic and inorganic compounds of medical interest. In this work, raw data were obtained through measurements in selected points on a square regions in order to detect specific organic / inorganic compounds on biological samples. Gold nano stars samples were prepared and coated with membrane markers (CD 10+ and CD 19+) and diluted in leukemic B lymphocytes. Each data block was evaluated independently by the method of principal component analysis (Pca) in order to find representative dimensionless values (Cp) for each Raman spectrum in a specific coordinate. Each Cp was normalized in a range of 0-255 in order to generate a representative image of 8 bits of the region under study. Data acquisition was performed with Raman microscopy system Renishaw in Via in the range of 550 to 1700 cm-1 with a 785 nm laser source, with a power of 17 m W and 15 s of exposure time were used for each spectrum. In preliminary results could detect the presence of molecular markers CD 10+ and CD 19+ with gold nano stars and discrimination between both markers. The results suggest conducting studies with specific concentrations organic and inorganic materials. (Author)

Biological image construction by using Raman radiation and Pca: preliminary results

Energy Technology Data Exchange (ETDEWEB)

Martinez E, J. C. [IPN, Unidad Profesional Interdisciplinaria de Ingenieria, Campus Guanajuato, Av. Mineral de Valenciana 200, Col. Fracc. Industrial Puerto Interior, 36275 Silao, Guanajuato (Mexico); Cordova F, T. [Universidad de Guanajuato, DIC, Departamento de Ingenieria Fisica, Loma del Bosque No. 103, Col. Lomas del Campestre, 37150 Leon, Guanajuato (Mexico); Hugo R, V., E-mail: jcmartineze@ipn.mx [Universidad de Guadalajara, Centro Universitario de Tonala, Morelos No. 180, 69584 Tonala, Jalisco (Mexico)

2015-10-15

Full text: In the last years, the Raman spectroscopy (Rs) technique has had some applications in the study and analysis of biological samples, due to it is able to detect concentrations or presence of certain organic and inorganic compounds of medical interest. In this work, raw data were obtained through measurements in selected points on a square regions in order to detect specific organic / inorganic compounds on biological samples. Gold nano stars samples were prepared and coated with membrane markers (CD 10+ and CD 19+) and diluted in leukemic B lymphocytes. Each data block was evaluated independently by the method of principal component analysis (Pca) in order to find representative dimensionless values (Cp) for each Raman spectrum in a specific coordinate. Each Cp was normalized in a range of 0-255 in order to generate a representative image of 8 bits of the region under study. Data acquisition was performed with Raman microscopy system Renishaw in Via in the range of 550 to 1700 cm-1 with a 785 nm laser source, with a power of 17 m W and 15 s of exposure time were used for each spectrum. In preliminary results could detect the presence of molecular markers CD 10+ and CD 19+ with gold nano stars and discrimination between both markers. The results suggest conducting studies with specific concentrations organic and inorganic materials. (Author)

FIST - a suite of X-ray powder crystallography programs for use with a HP-65 calculator

International Nuclear Information System (INIS)

Ferguson, I.F.; Turek, M.

1977-12-01

Programs for X-ray powder crystallography are defined for use with a Hewlett Packard HP-65 (programmable) pocket calculator. These include the prediction of all Bragg reflections for defined P-, F-, I-cubic, tetragonal, hexagonal and orthorhombic cells; the calculation of the position of a specific Bragg reflection from defined unit cells with all symmetries except triclinic; interconversion of theta, 2theta, sin 2 theta and d, as well as the calculation of the Nelson-Riley function; the computation of crystal densities; the interconversion of rhombohedral and hexagonal unit cells, lsub(c) determinations for graphite, the calculation of a and c for boron carbide; and Miller index transformations between various unit cells. (author)

Gonioscopy-assisted transluminal trabeculotomy, ab interno trabeculotomy: technique report and preliminary results.

Science.gov (United States)

Grover, Davinder S; Godfrey, David G; Smith, Oluwatosin; Feuer, William J; Montes de Oca, Ildamaris; Fellman, Ronald L

2014-04-01

To introduce a minimally invasive, ab interno approach to a circumferential 360-degree trabeculotomy and to report the preliminary results. Retrospective, noncomparative cases series. Eighty-five eyes of 85 consecutive patients who sought treatment at Glaucoma Associates of Texas with uncontrolled open-angle glaucoma and underwent gonioscopy-assisted transluminal trabeculotomy (GATT) for whom there was at least 6 months of follow-up data. Retrospective chart review of patients who underwent GATT by 4 of the authors (D.S.G., D.G.G., O.S., R.L.F.) between October 2011 and October 2012. The surgery was performed in adults with various open-angle glaucomas. Intraocular pressure (IOP), glaucoma medications, visual acuity, and intraoperative as well as postoperative complications. Eighty-five patients with an age range of 24 to 88 years underwent GATT with at least 6 months of follow-up. In 57 patients with primary open-angle glaucoma, the IOP decreased by 7.7 mmHg (standard deviation [SD], 6.2 mm Hg; 30.0% [SD, 22.7%]) with an average decrease in glaucoma medications of 0.9 (SD, 1.3) at 6 months. In this group, the IOP decreased by 11.1 mmHg (SD, 6.1 mmHg; 39.8% [SD, 16.0%]) with 1.1 fewer glaucoma medications at 12 months. In the secondary glaucoma group of 28 patients, IOP decreased by 17.2 mmHg (SD, 10.8 mmHg; 52.7% [SD, 15.8%]) with an average of 2.2 fewer glaucoma medications at 6 months. In this group, the IOP decreased by 19.9 mmHg (SD, 10.2 mmHg; 56.8% [SD, 17.4%]) with an average of 1.9 fewer medications (SD, 2.1) at 12 months. Treatment was considered to have failed in 9% (8/85) of patients because of the need for further glaucoma surgery. The cumulative proportion of failure at 1 year ranged from 0.1 to 0.32, depending on the group. Lens status or concurrent cataract surgery did not have a statistically significant effect on IOP in eyes that underwent GATT at either 6 or 12 months (P > 0.35). The most common complication was transient hyphema, seen in

A new on-axis micro-spectrophotometer for combining Raman, fluorescence and UV/Vis absorption spectroscopy with macromolecular crystallography at the Swiss Light Source

International Nuclear Information System (INIS)

Pompidor, Guillaume; Dworkowski, Florian S. N.; Thominet, Vincent; Schulze-Briese, Clemens; Fuchs, Martin R.

2013-01-01

The new version MS2 of the in situ on-axis micro-spectrophotometer at the macromolecular crystallography beamline X10SA of the Swiss Light Source supports the concurrent acquisition of Raman, resonance Raman, fluorescence and UV/Vis absorption spectra along with diffraction data. The combination of X-ray diffraction experiments with optical methods such as Raman, UV/Vis absorption and fluorescence spectroscopy greatly enhances and complements the specificity of the obtained information. The upgraded version of the in situ on-axis micro-spectrophotometer, MS2, at the macromolecular crystallography beamline X10SA of the Swiss Light Source is presented. The instrument newly supports Raman and resonance Raman spectroscopy, in addition to the previously available UV/Vis absorption and fluorescence modes. With the recent upgrades of the spectral bandwidth, instrument stability, detection efficiency and control software, the application range of the instrument and its ease of operation were greatly improved. Its on-axis geometry with collinear X-ray and optical axes to ensure optimal control of the overlap of sample volumes probed by each technique is still unique amongst comparable facilities worldwide and the instrument has now been in general user operation for over two years

Design aspects of the Alpha Repository. I. Preliminary results of facility layout, room stability, and equipment selection efforts. Summary progress report RSI-0024

International Nuclear Information System (INIS)

Gnirk, P.F.; Grams, W.H.; Zeller, T.J.; Ellis, D.B.; Pariseau, W.G.; Fossum, A.F.; Ratigan, J.L.; Hansen, F.D.

1975-01-01

Results of preliminary analysis of the stability of mines in salt formations underlying Eddy and Lea Counties in New Mexico are presented. Methods and equipment for drilling canister emplacement holes in these formations were evaluated along with methods for excavating storage areas and transport of the excavated salt. Progress during the period is reported in chapters on geological and rock properties at the repository site, preliminary mine layout, basic requirements for repository usage, excavation geometries, drill selection, excavation systems, and safety requirements