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1

Instrumentation upgrades for the Macromolecular Crystallography beamlines  

NLE Websites -- All DOE Office Websites (Extended Search)

Instrumentation upgrades for the Macromolecular Crystallography beamlines Instrumentation upgrades for the Macromolecular Crystallography beamlines of the Swiss Light Source Monday, October 29, 2012 - 2:00am SSRL, Bldg. 137, Rm. 322 Martin Fuchs, MX Group, Swiss Light Source; Paul Scherrer Institute (Villigen, Switzerland) A new unified diffractometer - the D3 - has been developed for the three MX beamlines. The first of the instruments is in general user operation at beamline X10SA since April 2012. The varied demands from both challenging academic research projects as well as high throughput industrial applications on today's macromolecular crystallography beamlines drive developments to both endstations and beamline optics. Recent instrumentation upgrades to the macromolecular crystallography (MX) beamlines of the Swiss Light Source therefore aimed to

2

Resources for Macromolecular Crystallography | Advanced Photon Source  

NLE Websites -- All DOE Office Websites (Extended Search)

APS Links: APS Links: User Registration Apply for Beam Time GUP Login | Calendar Publications Database CAT Websites: BioCARS GM/CA-CAT IMCA-CAT LRL-CAT LS-CAT NE-CAT SBC-CAT SER-CAT Reports and Presentations: Stuctural Bio Cross-Cut: Review | Response BioSync: BioSync Home Synchrotron PDB Deposits APS Deposits by Year Resources for Macromolecular Crystallography The next GUP deadline is: October 28, 2011 Interactive Map beta | View Energy Ranges for all MAD/SAD Beamlines 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 26 30 31 32 33 34 29 Filter by: Disciplines Techniques Chemistry Environmental Science GeoScience Life Science Materials Science Physics Polymer Science Highlight: Operator Access Mode X-ray Operations and Research (XOR) Collaborative Access Team (CAT) How to use this map | Reset Sector [ HIDE ]

3

Instrumentation upgrades for the Macromolecular Crystallography...  

NLE Websites -- All DOE Office Websites (Extended Search)

of the Swiss Light Source Monday, October 29, 2012 - 2:00am SSRL, Bldg. 137, Rm. 322 Martin Fuchs, MX Group, Swiss Light Source; Paul Scherrer Institute (Villigen, Switzerland) A...

4

Recent Major Improvements to the ALS Sector 5 Macromolecular Crystallography Beamlines  

E-Print Network (OSTI)

Recent major improvements to the ALS Sector 5 Macromolecularthe Advanced Light Source (ALS)) was initially conceivedwhich together formed the ALS Macromolecular Crystallography

2008-01-01T23:59:59.000Z

5

Recent Major Improvements to the ALS Sector 5 MacromolecularCrystallography Beamlines  

Science Conference Proceedings (OSTI)

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 crystals, and on more rapidly screening larger numbers of candidate crystals; all of these requirements translate directly into a pressing need for increased flux, a tighter beam focus and faster detectors. With these growing demands in mind a major program of beamline and detector upgrades was initiated in 2004 with the goal of dramatically enhancing all aspects of beamline performance. Approximately $3 million in funding from diverse sources including NIH, LBL, the ALS, and the industrial and academic members of the beamline Participating Research Team (PRT), has been employed to develop and install new high performance beamline optics and to purchase the latest generation of CCD detectors. This project, which reached fruition in early 2007, has now fulfilled all of its original goals--boosting the flux on all three beamlines by up to 20-fold--with a commensurate reduction in exposure and data acquisition times for users. The performance of the Sector 5.0 beamlines is now comparable to that of the latest generation ALS superbend beamlines and, in the case of beamline 5.0.2, even surpasses it by a considerable margin. Indeed, the present performance of this beamline is now, once again, comparable to that envisioned for many MX beamlines planned or under construction on newer or higher energy machines.

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

2007-07-01T23:59:59.000Z

6

JBluIce-EPICS control system for macromolecular crystallography.  

SciTech Connect

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.

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. (Biosciences Division); (Univ. of Michigan)

2011-01-01T23:59:59.000Z

7

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

Science Conference Proceedings (OSTI)

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.

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.

2009-05-26T23:59:59.000Z

8

Impact of Synchrotron Radiation on Macromolecular Crystallography: a Personal View  

SciTech Connect

The introduction of synchrotron radiation sources almost four decades ago has led to a revolutionary change in the way that diffraction data from macromolecular crystals are being collected. Here a brief history of the development of methodologies that took advantage of the availability of synchrotron sources are presented, and some personal experiences with the utilization of synchrotrons in the early days are recalled.

Dauter, Z.; Jaskolski, M; Wlodawer, A

2010-01-01T23:59:59.000Z

9

HIGHLY AUTOMATED MACROMOLECULAR  

NLE Websites -- All DOE Office Websites (Extended Search)

AUTOMATED MACROMOLECULAR AUTOMATED MACROMOLECULAR CRYSTALLOGRAPHY BEAMLINE (AMX) Group Leader: Dieter Schneider Proposal Team: M. Allaire 1 , L. Berman 1 , M. Chance 2 , W. Hendrickson 3 , A. Héroux 1 , J. Jakoncic 1 , A. Orville 1 , H. Robinson 1 , D. Schneider 1 , W. Shi 2 , A. Soares 1 , V. Stojanoff 1 , R. Sweet 1 1 Brookhaven National Laboratory, 2 Case Western Reserve University, 3 Columbia University MISSION APPLICATIONS AND CAPABILITIES ADDITIONAL INFORMATION * AMX at NSLS-II will provide structural biologists with ready access to an advanced macromolecular crystallography (MX) beamline for the elucidation of structure and function of macromolecular complexes. * Its high flux, tunable energy, and natively small focal spot will make it a crystallographer's preferred beamline. * Its high degree of automation will provide a high throughput

10

Proposal Submittal and Scheduling Procedures for Macromolecular  

NLE Websites -- All DOE Office Websites (Extended Search)

Proposal Submittal and Scheduling Procedures for Macromolecular Proposal Submittal and Scheduling Procedures for Macromolecular Crystallography Beam time for macromolecular crystallography projects is obtained by submitting an SSRL Macromolecular Crystallography Proposal. This proposal is peer reviewed by the Structural Molecular Biology and Biophysics subpanel of the SSRL Proposal Review Panel (PRP) for scientific merit and rating and for criticality of synchrotron radiation use. Proposal Forms New Proposal Request Form (note: you must be a registered user to submit a proposal through our User Portal. Click on "Become a New User" link to register.) Extension Application for Macromolecular Crystallography Proposals Rapid Access Application Form Types of Proposals Proposals should be submitted under one of the following classifications.

11

Neutron proton crystallography station (PCS)  

SciTech Connect

The PCS (Protein Crystallography Station) at Los Alamos Neutron Science Center (LANSCE) is a unique facility in the USA that is designed and optimized for detecting and collecting neutron diffraction data from macromolecular crystals. PCS utilizes the 20 Hz spallation neutron source at LANSCE to enable time-of-flight measurements using 0.6-7.0 {angstrom} neutrons. This increases the neutron flux on the sample by using a wavelength range that is optimal for studying macromolecular crystal structures. The diagram below show a schematic of PCS and photos of the detector and instrument cave.

Fisher, Zoe [Los Alamos National Laboratory; Kovalevsky, Andrey [Los Alamos National Laboratory; Johnson, Hannah [Los Alamos National Laboratory; Mustyakimov, Marat [Los Alamos National Laboratory

2009-01-01T23:59:59.000Z

12

The Phase I MX Beamlines at Diamond Light Source  

Science Conference Proceedings (OSTI)

Three beamlines dedicated to macromolecular crystallography, I02, I03 and I04 at Diamond Light Source are presented. These beamlines formed the life science component of Phase 1 of Diamond Light Source. The article provides details of the design and the current status of the beamlines.

Duke, E. M. H.; Evans, G.; Flaig, R.; Hall, D. R.; Latchem, M.; McAuley, K. E.; Sandy, D. J.; Sorensen, T. L-M.; Waterman, D.; Johnson, L. N. [Diamond Light Source, Harwell Science and Innovation Campus, Didcot, Oxon. OX11 0DE (United Kingdom)

2010-06-23T23:59:59.000Z

13

MATERIALS SCIENCE/CRYSTALLOGRAPHY  

Science Conference Proceedings (OSTI)

... Macromolecular Assemblies of Natural Peptide-Amphiphiles ... Uranium Hydride in Uranium Metal Matrix ... 102 Development of Gas-loading Capability ...

2003-01-07T23:59:59.000Z

14

Method for removing atomic-model bias in macromolecular crystallography  

DOE Patents (OSTI)

Structure factor bias in an electron density map for an unknown crystallographic structure is minimized by using information in a first electron density map to elicit expected structure factor information. Observed structure factor amplitudes are combined with a starting set of crystallographic phases to form a first set of structure factors. A first electron density map is then derived and features of the first electron density map are identified to obtain expected distributions of electron density. Crystallographic phase probability distributions are established for possible crystallographic phases of reflection k, and the process is repeated as k is indexed through all of the plurality of reflections. An updated electron density map is derived from the crystallographic phase probability distributions for each one of the reflections. The entire process is then iterated to obtain a final set of crystallographic phases with minimum bias from known electron density maps.

Terwilliger, Thomas C. (Santa Fe, NM)

2006-08-01T23:59:59.000Z

15

Conference on New Frontiers in Neutron Macromolecular Crystallography  

NLE Websites -- All DOE Office Websites (Extended Search)

systems being studied by x-ray diffraction. The advent of the Spallation Neutron Source (SNS) with over an order of magnitude increase in neutron flux, in combination with advances...

16

Stanford Synchrotron Radiation Lightsource Extension Application for Macromolecular Crystallography Proposals  

E-Print Network (OSTI)

SSRL Users' Organization Meeting Thursday, January 27, 2011 The Users' Executive Committee (UEC) met in SSRL Building 137, 3rd Floor Conference Room, with several members participating will co-organize the next users' conference and serve as Chair next year. Strategic planning: SSRL

Wechsler, Risa H.

17

electronic reprint Crystallography  

E-Print Network (OSTI)

electronic reprint Journal of Applied Crystallography ISSN 0021-8898 Molsee: a Tcl/Tk-based program of Crystallography Printed in Great Britain ± all rights reserved Molsee: a Tcl/Tk-based program to control Rasmol molecules. In order to make it more user-friendly, Molsee, a Tcl/Tk-based graphical user interface front end

Luhua, Lai

18

Proposal Review Panels (Areas Other Than Crystallography)  

NLE Websites -- All DOE Office Websites (Extended Search)

Proposal Review Panels Proposal Review Panels High Pressure Instrumentation Imaging/ Microbeam Macromolecular Crystallography Scattering Applied Materials Stanislav Sinogeikin, Chair Tim Graber, Chair Patrick LaRiviere, Chair John Rose, Chair Robert Suter, Chair Ercan Alp Maria Baldini Bin Chen Przemyslaw Dera Lars Ehm Ravi Kumar Barbara Lavina Sang-Heon (Dan) Shim Heather Watson Keith Brister Wenjun Liu Darren Dale Matthew Ginder-Vogel Xiaojing Huang (guest) Tony Lanzirotti Lisa Miller Mark Pfeifer Martina Ralle Xianghui Xiao Hanfei Yan Arnon Lavie Anne Mulichak Armand Beaudoin Dillon Fong Dileep Singh Mike Toney Bob Von Dreele Scattering Condensed Matter Scattering Chem/Biol/Environ Small Angle Scattering (SAXS) Spectroscopy Structural Science Roy Clarke, Chair Lynda Soderholm, Chair Peter Jemian, Chair Mali Balasubramanian, Chair

19

The Macromolecular CIF Dictionary  

E-Print Network (OSTI)

ant to the macromolecular crystallographic experiment. This working group was chaired by Paula Fitzgerald (Merck) and included Enrique Abola (Protein Data Bank), Helen Berman (Rutgers), Phil Bourne (then at Columbia) Eleanor Dodson (York), Art Olson (Scripps), Wolfgang Steigemann (Martinsreid), Lynn Ten Eyck (SDSC), and Keith Watenpaugh (then Upjohn). The original short term goal of the working group was to fulfill the mandate set by the IUCr: to define CIF data names that needed to be included in the CIF dictionary in order to adequately describe the macromolecular crystallographic experiment and its results. Long term goals were also established: to provide sufficient data names so that the experimental section of a structure paper could be written automatically and to facilitate the development of tools so that computer programs could easily interface with mmCIF. During the course of the development of the mmCIF dictionary, however, these goals were greatly expanded, and the resulti

Paula Fitzgerald; Phil Bourne; Brian Mcmahon; Keith Watenpaugh; John

1993-01-01T23:59:59.000Z

20

electronic reprint Crystallography  

E-Print Network (OSTI)

of Crystallography Author(s) of this paper may load this reprint on their own web site provided that this cover page a new software toolbox for the handling of the various parameterizations of atomic anisotropic analysis of a structure. Therefore, a library for the conversion between the different parameterizations

Grosse-Kunstleve, Ralf

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


21

Protein Energy Landscapes Determined by 5-Dimensional Crystallography  

E-Print Network (OSTI)

Free energy landscapes decisively determine the progress of enzymatically catalyzed reactions[1]. Time-resolved macromolecular crystallography unifies transient-state kinetics with structure determination [2-4] because both can be determined from the same set of X-ray data. We demonstrate here how barriers of activation can be determined solely from five-dimensional crystallography [5]. Directly linking molecular structures with barriers of activation between them allows for gaining insight into the structural nature of the barrier. We analyze comprehensive time series of crystal-lographic data at 14 different temperature settings and determine entropy and enthalpy contributions to the barriers of activation. 100 years after the discovery of X-ray scattering, we advance X-ray structure determination to a new frontier, the determination of energy landscapes.

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

2013-01-01T23:59:59.000Z

22

Infrared Protein Crystallography  

DOE Green Energy (OSTI)

We consider the application of infrared spectroscopy to protein crystals, with particular emphasis on exploiting molecular orientation through polarization measurements on oriented single crystals. Infrared microscopes enable transmission measurements on individual crystals using either thermal or nonthermal sources, and can accommodate flow cells, used to measure spectral changes induced by exposure to soluble ligands, and cryostreams, used for measurements of flash-cooled crystals. Comparison of unpolarized infrared measurements on crystals and solutions probes the effects of crystallization and can enhance the value of the structural models refined from X-ray diffraction data by establishing solution conditions under which they are most relevant. Results on several proteins are consistent with similar equilibrium conformational distributions in crystal and solutions. However, the rates of conformational change are often perturbed. Infrared measurements also detect products generated by X-ray exposure, including CO{sub 2}. Crystals with favorable symmetry exhibit infrared dichroism that enhances the synergy with X-ray crystallography. Polarized infrared measurements on crystals can distinguish spectral contributions from chemically similar sites, identify hydrogen bonding partners, and, in opportune situations, determine three-dimensional orientations of molecular groups. This article is part of a Special Issue entitled: Protein Structure and Function in the Crystalline State.

J Sage; Y Zhang; J McGeehan; R Ravelli; M Weik; J van Thor

2011-12-31T23:59:59.000Z

23

Macromolecular replication during lignin biosynthesis  

NLE Websites -- All DOE Office Websites (Extended Search)

Macromolecular Macromolecular replication during lignin biosynthesis Yi-ru Chen, Simo Sarkanen * Department of Bioproducts and Biosystems Engineering, University of Minnesota, St. Paul, MN 55108, USA a r t i c l e i n f o Article history: Received 12 December 2008 Received in revised form 24 October 2009 Available online 4 January 2010 Keywords: Lignin primary structure Replication Template polymerization Density functional theory Dynamical electron correlation a b s t r a c t Lignins play a crucial role in the cell-wall architecture of all vascular plants. They are composed of p- hydroxyphenylpropanoid units interconnected through covalent bonds formed during lignol radical cou- pling between six different pairs of atomic centers. For 50 years, the primary structures of lignins have been thought to be random, but for a number of reasons such an assumption is not tenable. For example, it has been

24

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

Science Conference Proceedings (OSTI)

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.

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

1999-07-13T23:59:59.000Z

25

Web-Ice: Integrated Data Collection and Analysis for Macromolecular Crystallography  

E-Print Network (OSTI)

in Blu-Ice. Figure 7: SSRL Web-Ice interface displaying theTable 1: Programs used by Web-Ice for data analysis. ProgramWeb-Ice: Integrated Data Collection and Analysis for

Gonzalez, Ana

2008-01-01T23:59:59.000Z

26

Web-Ice: Integrated Data Collection and Analysis for Macromolecular Crystallography  

E-Print Network (OSTI)

results. A summary list is also available in Blu-Ice.Figure 7: SSRL Web-Ice interface displaying the summarizedTable 1: Programs used by Web-Ice for data analysis. Program

Gonzalez, Ana

2008-01-01T23:59:59.000Z

27

Web-Ice: Integrated Data Collection and Analysis for Macromolecular Crystallography  

E-Print Network (OSTI)

in Blu-Ice. Figure 7: SSRL Web-Ice interface displaying theRadiation Laboratory (SSRL), and subsequently adapted forsystems Blu-Ice / DCSS at SSRL (McPhillips et al. , 2002)

Gonzalez, Ana

2008-01-01T23:59:59.000Z

28

Recent Major Improvements to the ALS Sector 5 Macromolecular Crystallography Beamlines  

E-Print Network (OSTI)

Source is a national user facility operated by Lawrencecontrol environment for users. This facility was immediatelyto our users. Detectors and endstation facilities The

2008-01-01T23:59:59.000Z

29

WSMO-MX: A hybrid Semantic Web service matchmaker  

Science Conference Proceedings (OSTI)

The WSMO-MX service matchmaker applies different matching filters to retrieve Semantic Web services written in a dialect of the prominent service description language WSML-Rule. For this purpose, WSMO-MX recursively computes logic-based and syntactic ... Keywords: Semantic services, WSML, Web services, discovery, matchmaking, retrieval

Matthias Klusch; Frank Kaufer

2009-01-01T23:59:59.000Z

30

High-availability power for MX  

Science Conference Proceedings (OSTI)

With modern computer-based analyses it was possible to optimize an extensive power transmission and distribution network for supplying power to MX missile shelter sites. This network would serve some 4600 of these sites, located in suitable contiguous areas, with the shelter sites spaced one mile apart. With a dedicated transmission network and underground distribution cables we were able to predict an average commercial power availability of 0.99993 at the shelters. However, standby diesel generator sets are required at distribution centers because power is required after an electromagnetic pulse from a high-altitude weapon burst. With this strengthened distribution network, the authors were able to predict a suitable power availability of 0.999 at each missile site with incoming power supplied to each of our distribution centers at a 0.99 availability or better by local public utilities.

Oman, H.; Bannon, C.F.

1982-08-01T23:59:59.000Z

31

MxEnergy Electric, Inc. (New York) | Open Energy Information  

Open Energy Info (EERE)

Electric, Inc. (New York) Jump to: navigation, search Name MxEnergy Electric, Inc. Place New York Utility Id 50149 References EIA Form EIA-861 Final Data File for 2010 -...

32

Introduction to Crystallography | Advanced Photon Source  

NLE Websites -- All DOE Office Websites (Extended Search)

Jump to Lectures: Jump to Lectures: Introduction Crystals Symmetry and Point Groups Plane and Space Groups Diffraction Reciprocal Space Reciprocal Space 2 Structure Factors Fourier Transforms Data Collection Structure Solutions Refinement and Interpretation Rietveld Synchrotrons and Neutrons Introduction to Crystallography This web page contains 15 lectures and handout notes given by Dr. Cora Lind for her Chem 4980/6850/8850: X-ray Crystallography course at the University of Toledo (Ohio). The preparation of these lectures was in part supported by National Science Foundation CAREER award DMR-0545517. Thanks to Prof. Lind and the University of Toledo Department of Chemistry for permission to post these videos and notes. All lecture notes are in PDF format. Lecture 1: Introduction Slides: Introduction [condensed version] This lecture introduces

33

High resolution electron crystallography of protein molecules  

Science Conference Proceedings (OSTI)

Electron diffraction data and high resolution images can now be used to obtain accurate, three-dimensional density maps of biological macromolecules. These density maps can be interpreted by building an atomic-resolution model of the structure into the experimental density. The Cowley-Moodie formalism of dynamical diffraction theory has been used to validate the use of kinematic diffraction theory, strictly the weak phase object approximation, in producing such 3-D density maps. Further improvements in the preparation of very flat specimens and in the retention of diffraction to a resolution of 0.2 nm or better could result in electron crystallography becoming as important a technique as x-ray crystallography currently is for the field of structural molecular biology.

Glaeser, R.M. [California Univ., Berkeley, CA (United States). Dept. of Molecular and Cell Biology]|[Lawrence Berkeley Lab., CA (United States); Downing, K.H. [Lawrence Berkeley Lab., CA (United States)

1993-06-01T23:59:59.000Z

34

Center for Nanophase Materials Sciences (CNMS) - Macromolecular  

NLE Websites -- All DOE Office Websites (Extended Search)

NANOMATERIALS SYNTHESIS AND FUNCTIONAL ASSEMBLY (POLYMERS) NANOMATERIALS SYNTHESIS AND FUNCTIONAL ASSEMBLY (POLYMERS) Polymer Synthesis The Macromolecular Nanomaterials laboratories include a wide range of polymer synthesis capabilities, with extensive fume hoods (including walk-in hoods for large scale apparatus) and glove boxes for handling sensitive materials. Polymerization Techniques Ionic Polymerizations: World-class expertise in the preparation of well-defined, narrow molecular distribution polymers and copolymers including complex polymer architectures (i.e. block, star, comb, graft and hyperbranched polymers) by anionic and cationic polymerizations. Controlled Radical Polymerization: Extensive expertise in free radical and controlled radical (ATRP, NMP, RAFT) polymerizations. Ring Opening Polymerization: Expertise in the controlled

35

Statistics of Grain Boundary Crystallography in Surrogates for Oxide ...  

Science Conference Proceedings (OSTI)

Presentation Title, Statistics of Grain Boundary Crystallography in Surrogates for ... of TIG Welded and Laser-surface Melted SUS 304 for Nuclear Power Plants.

36

Enhancing access to research data: the challenge of crystallography  

Science Conference Proceedings (OSTI)

This paper describes an ongoing collaborative effort across digital library and scientific communities in the UK to improve access to research data. A prototype demonstrator service supporting the discovery and retrieval of detailed results of crystallography ... Keywords: Eprints.org, OAI-PMH, crystallography, dublin core, institutional repositories, metadata, scholarly communication

Monica Duke; Michael Day; Rachel Heery; Leslie A. Carr; Simon J. Coles

2005-06-01T23:59:59.000Z

37

MaNDi: the Macromolecular Neutron Diffractometer at SNS | ORNL...  

NLE Websites -- All DOE Office Websites (Extended Search)

The Macromolecular Neutron Diffractometer at SNS MaNDi detector Detector array for the MaNDi instrument before installation. Detector cutaway Cutaway view of detector array for the...

38

Resilient data staging through MxN distributed transactions.  

Science Conference Proceedings (OSTI)

Scientific computing-driven discoveries are frequently driven from workflows that use persistent storage as a staging area for data between operations. With the bad and progressively worse bandwidth vs. data size issues as we continue towards exascale, eliminating persistent storage through techniques like data staging will both enable these workflows to continue online, but also enable more interactive workflows reducing the time to scientific discoveries. Data staging has shown to be an effective way for applications running on high-end computing platforms to offload expensive I/O operations and to manage the tremendous amounts of data they produce. This data staging approach, however, lacks the ACID style guarantees traditional straight-to-disk methods provide. Distributed transactions are a proven way to add ACID properties to data movements, however distributed transactions follow 1xN data movement semantics, where our highly parallel HPC environments employ MxN data movement semantics. In this paper we present a novel protocol that extends distributed transaction terminology to include MxN semantics which allows our data staging areas to benefit from ACID properties. We show that with our protocol we can provide resilient data staging with a limited performance penalty over current data staging implementations.

Schwan, Karsten (Georgia Institute of Technology, Atlanta, GA); Oldfield, Ron A.; Lofstead, Gerald Fredrick, II; Dayal, Jai (Georgia Institute of Technology, Atlanta, GA)

2011-11-01T23:59:59.000Z

39

E-Science and Protein Crystallography  

SciTech Connect

Dr. Zoe Fisher is the instrument scientist for the Protein Crystallography Station (PCS) at the Los Alamos Neutron Science Center's (LANSC) Lujan Neutron Scattering Center. She helps schedule researchers who intend to use the instrument to collect data, and provides in depth support for their activities. Users submit proposals for beam/instrument time via LANSCE proposal review system. In 2012, there were about 20 proposals submitted for this instrument. The instrument scientists review the proposals online. Accepted proposals are scheduled via an aggregate calendar which takes into account staff and resource availability, and the scientist is notified via email when their proposal is accepted and their requested time is scheduled. The entire PCS data acquisition and processing workflow is streamlined through various locally developed and commercial software packages. One 24 hour period produces one 200 Mb file, giving a total of maybe 2-5 Gb of data for the entire run. This data is then transferred to a hard disk in Dr. Fisher's office where she views the data with the customer and compresses the data to a text format which she sends them. This compression translates the data from an electron density to structural coordinates, which are the products submitted to a protein structure database. As noted above, the raw experimental data is stored onsite at LANSCE on workstations maintained by the instrument scientist. It is extraordinarily rare for anyone to request this data, although the remote possibility of an audit by a funding organization motivates its limited preservation. The raw data is not rigorously backed up, but only stored on a single hard drive. Interestingly, only about 50% of the experimental data actually ends up deposited and described in peer reviewed publications; the data that is not published tends to either not be viable structures or is calibration data. Dr. Fisher does protein crystallography research using both neutron and x-ray scattering techniques. Many of the major funders as well as the major journals dealing with protein crystallography require deposition of the structural data in the Protein Data Bank (PDB). Files formatted for the PDB are automatically generated when the data is compressed. The header files in the PDB included experimental conditions of the experiment as well as experimental methods. Depending on the completeness and how 'hot' of a topic, it may not be needed to contact the original experimenter about using the data. Having said that, not all of the data is accurate and does requires some back and forth with the creators of the data. The RCSB PDB staff at Rutgers University goes through all submissions and works with the submitters to verify that the data meets their minimum standards of completeness and robustness. The Protein Data Bank (PDB) was initially created by Walter Hamilton at Brookhaven National Laboratory in 1971 after discussions about the value of scientists having access to structural biology data. Originally a partnership between Brookhaven and the Cambridge Crystallographic Data Center, the idea was conceived as a global initiative, which is certainly has become with partner sites in the US, Europe, and Japan. The PDB now contains structures determined from many different experimental techniques (Berman et al. 2012). Deposited structures are assigned a unique ID, and the structures are embargoed until the publication that references and describes them is published. The PDB staff often monitors these publications and takes the initiative to release protein structures when papers describing them are published. Dr. Fisher records setup and experimental details in word documents and inserts printed copies into paper lab notebooks. These details appear in the final published papers and the header files for structures in the PDB. Analysis of data collected at the PCS is performed with a combination of locally developed tools and commercial products which are capable of outputting data suitable for importing into the PDB. While the original output data from the

Miller, Laniece E. [Los Alamos National Laboratory; Powell, James E. Jr. [Los Alamos National Laboratory

2012-08-09T23:59:59.000Z

40

E-Science and Protein Crystallography  

Science Conference Proceedings (OSTI)

Dr. Zoe Fisher is the instrument scientist for the Protein Crystallography Station (PCS) at the Los Alamos Neutron Science Center's (LANSC) Lujan Neutron Scattering Center. She helps schedule researchers who intend to use the instrument to collect data, and provides in depth support for their activities. Users submit proposals for beam/instrument time via LANSCE proposal review system. In 2012, there were about 20 proposals submitted for this instrument. The instrument scientists review the proposals online. Accepted proposals are scheduled via an aggregate calendar which takes into account staff and resource availability, and the scientist is notified via email when their proposal is accepted and their requested time is scheduled. The entire PCS data acquisition and processing workflow is streamlined through various locally developed and commercial software packages. One 24 hour period produces one 200 Mb file, giving a total of maybe 2-5 Gb of data for the entire run. This data is then transferred to a hard disk in Dr. Fisher's office where she views the data with the customer and compresses the data to a text format which she sends them. This compression translates the data from an electron density to structural coordinates, which are the products submitted to a protein structure database. As noted above, the raw experimental data is stored onsite at LANSCE on workstations maintained by the instrument scientist. It is extraordinarily rare for anyone to request this data, although the remote possibility of an audit by a funding organization motivates its limited preservation. The raw data is not rigorously backed up, but only stored on a single hard drive. Interestingly, only about 50% of the experimental data actually ends up deposited and described in peer reviewed publications; the data that is not published tends to either not be viable structures or is calibration data. Dr. Fisher does protein crystallography research using both neutron and x-ray scattering techniques. Many of the major funders as well as the major journals dealing with protein crystallography require deposition of the structural data in the Protein Data Bank (PDB). Files formatted for the PDB are automatically generated when the data is compressed. The header files in the PDB included experimental conditions of the experiment as well as experimental methods. Depending on the completeness and how 'hot' of a topic, it may not be needed to contact the original experimenter about using the data. Having said that, not all of the data is accurate and does requires some back and forth with the creators of the data. The RCSB PDB staff at Rutgers University goes through all submissions and works with the submitters to verify that the data meets their minimum standards of completeness and robustness. The Protein Data Bank (PDB) was initially created by Walter Hamilton at Brookhaven National Laboratory in 1971 after discussions about the value of scientists having access to structural biology data. Originally a partnership between Brookhaven and the Cambridge Crystallographic Data Center, the idea was conceived as a global initiative, which is certainly has become with partner sites in the US, Europe, and Japan. The PDB now contains structures determined from many different experimental techniques (Berman et al. 2012). Deposited structures are assigned a unique ID, and the structures are embargoed until the publication that references and describes them is published. The PDB staff often monitors these publications and takes the initiative to release protein structures when papers describing them are published. Dr. Fisher records setup and experimental details in word documents and inserts printed copies into paper lab notebooks. These details appear in the final published papers and the header files for structures in the PDB. Analysis of data collected at the PCS is performed with a combination of locally developed tools and commercial products which are capable of outputting data suitable for importing into the PDB. While the original output data from the

Miller, Laniece E. [Los Alamos National Laboratory; Powell, James E. Jr. [Los Alamos National Laboratory

2012-08-09T23:59:59.000Z

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


41

Mao of HP-CAT Awarded Aminoff Prize in Crystallography  

NLE Websites -- All DOE Office Websites (Extended Search)

Mao of HP-CAT Awarded Aminoff Prize in Crystallography Mao of HP-CAT Awarded Aminoff Prize in Crystallography The Royal Swedish Academy of Sciences has awarded David H. Mao of the Geophysical Laboratory the Gregori Aminoff Prize in Crystallography 2005 "for pioneering research of materials at ultrahigh pressures and temperatures." Dr. Mao is the Director of the High Pressure Collaborative Access Team, which manages the beamlines at Advanced Photon Source (APS) sector 16. Named after Gregori Aminoff, the pioneering Swedish crystallographer, the prize is given annually to recognized scientists, or to a group of no more than three persons of international distinction, who have made a major contribution to crystallography. David H. Mao showing a panoramic high-pressure diamond-anvil cell to Murray Gibson

42

Macromolecular Crowding Directs Extracellular Matrix Organization and Mesenchymal Stem Cell Behavior  

E-Print Network (OSTI)

Microenvironments of biological cells are dominated in vivo by macromolecular crowding and resultant excluded volume effects. This feature is absent in dilute in vitro cell culture. Here, we induced macromolecular crowding ...

Zeiger, Adam Scott

43

Solvent-assisted NMR imaging or heterogeneous coal macromolecular networks  

SciTech Connect

Solvent swelling has been employed to probe the physical structure of coal (1). The swelling behavior of bituminous coals in various solvents has been used to assess different strengths or types of secondary interactions which determine their macromolecular structures (2-5). The phenomenon of solvent transport into coal during solvent swelling has also been extensively investigated by numerous researchers (6-10). Recently, we have obtained important information concerning solvent accessibility in coals and maceral domains by proton NMR imaging of mobile proton distributions resulting from solvent swelling (11). Images of coals swollen with perdeuterated solvents were used to map mobile phases in the coal macromolecular structure, while images obtained with protic solvents mapped distributions of the ingressed solvent. For the present purposes 2-D images are sufficient and their acquisition is suitably fast. In order to ensure that the transport process was also two-dimensional, the upper and lower sample surfaces were protected from solvent infiltration by glass coverslips which restricted the flow of solvent to cross only the exposed faces of the sample. Each sample is rectangular with initial dimensions on the order of 2 {times} 2 {times} 1 mm. The experimental protocol involved immersing the sample in the solvent for a period of time, removing it from the solvent bath, acquiring an image, and re-immersing it. Figure 1 presents transient images together with one-dimensional projections for each of the three macromolecular systems.

French, D.C.; Cody, G.D.; Botto, R.E.

1993-09-01T23:59:59.000Z

44

Phasing Out the Phase Problem in Interfacial Crystallography  

NLE Websites -- All DOE Office Websites (Extended Search)

BESSRC/XOR BESSRC/XOR Phasing Out the Phase Problem in Interfacial Crystallography Photo of Paul Fenter (left) and Zhan Zhang at the mineral-fluid interface spectrometer at 12-ID-D (BESSRC/XOR). Paul Fenter (left) and Zhan Zhang at the mineral-fluid interface spectrometer at 12-ID-D (BESSRC/XOR). Since the advent of dedicated synchrotron radiation facilities, the applications of x-ray diffraction and scattering for structure determination have expanded to include a broad range of materials, from proteins and interfaces to nanoparticles. However, the well-known "phase problem" of crystallography limits these applications. The phase problem arises because the complete description of a structure requires a complex structure factor having both a magnitude and a phase. The measured x-ray

45

SciTech Connect: "smart grid"  

Office of Scientific and Technical Information (OSTI)

Introduction to Bayesian methods in macromolecular crystallography Citation Details In-Document Search Title: Introduction to Bayesian methods in macromolecular crystallography...

46

Size-exclusion chromatography system for macromolecular interaction analysis  

DOE Patents (OSTI)

A low pressure, microcomputer controlled system employing high performance liquid chromatography (HPLC) allows for precise analysis of the interaction of two reversibly associating macromolecules such as proteins. Since a macromolecular complex migrates faster than its components during size-exclusion chromatography, the difference between the elution profile of a mixture of two macromolecules and the summation of the elution profiles of the two components provides a quantifiable indication of the degree of molecular interaction. This delta profile is used to qualitatively reveal the presence or absence of significant interaction or to rank the relative degree of interaction in comparing samples and, in combination with a computer simulation, is further used to quantify the magnitude of the interaction in an arrangement wherein a microcomputer is coupled to analytical instrumentation in a novel manner.

Stevens, Fred J. (Downers Grove, IL)

1988-01-01T23:59:59.000Z

47

Nano Letters 8, 4477-4482 (2008) NANO-CRYSTALLOGRAPHY OF INDIVIDUAL CARBON NANOTUBES  

E-Print Network (OSTI)

Nano Letters 8, 4477- 4482 (2008) 1 NANO-CRYSTALLOGRAPHY OF INDIVIDUAL CARBON NANOTUBES N. Bozovi 1 meV energy resolution and 1 nm spatial resolution.1 The later should enable nano-crystallography ­ XRD study of individual nano-particles. The commissioning of NSLS II will take some time -- the plan

Homes, Christopher C.

48

A population global optimization algorithm to solve the image alignment problem in electron crystallography  

Science Conference Proceedings (OSTI)

Knowledge of the structure of biological specimens is critical to understanding their function. Electron crystallography is an electron microscopy (EM) approach that derives the 3D structure of specimens at high-resolution, even at atomic detail. Prior ... Keywords: Electron crystallography, Electron microscope tomography, Evolutionary algorithms, Global optimization, Image alignment, Stochastic optimization

P. M. Ortigosa; J. L. Redondo; I. Garca; J. J. Fernndez

2007-04-01T23:59:59.000Z

49

Improved ambient-pressure organic superconductor. [Bis(ethylenedithio)TTF-MX/sub 2/  

DOE Patents (OSTI)

Disclosed is a new class of organic superconductors having the formula (ET)/sub 2/MX/sub 2/ wherein ET represents bis(ethylenedithio)-tetrathiafulvalene, M is a metal such as Au, Ag, In, Tl, Rb, Pd and the like and X is a halide. The superconductor (ET)/sub 2/AuI/sub 2/ exhibits a transition temperature of 5/sup 0/K which is high for organic superconductors.

Williams, J.M.; Wang, Hsien-Hau; Beno, M.A.

1985-05-29T23:59:59.000Z

50

Internal Technical Report, Heat Exchanger Sizing for 20 MW Geothermal Power Plants at MX Sites  

DOE Green Energy (OSTI)

This report presents the details of the analyses used to size the heaters, steam condenser, and working fluid condenser for a proposed 20 MW geothermal power plant application at MX sites in the southwest. These units would use a mixture of hydrocarbons (90% isobutane--10% n-hexane) to extract energy from moderate temperature resources (resource temperatures of 365 F, 400 F, and 450 F were considered). The working fluid will be maintained at supercritical pressures in the heater units. Studies have shown that this cycle will provide a significant net power increase over standard dual boiling single fluid cycles currently in use, e.g., the Raft River 5 MW pilot plant.

Kochan, R.J.; Bliem, C.J.

1981-12-01T23:59:59.000Z

51

Power-cycle studies for a geothermal electric plant for MX operating bases  

SciTech Connect

Binary geothermal plants were investigated for providing electrical power for MX missile bases. A number of pure hydrocarbons and hydrocarbon mixtures were evaluated as working fluids for geothermal resource temperatures of 365, 400, and 450/sup 0/F. Cycle thermodynamic analyses were conducted for pure geothermal plants and for two types of coal-geothermal hybrid plants. Cycle performance results were presented as net geofluid effectiveness (net plant output in watts per geofluid flow in 1 bm/hr) and cooling water makeup effectiveness (net plant output in watts per makeup water flow in 1 bm/hr). A working fluid containing 90% (mass) isobutane/10% hexane was selected, and plant statepoints and energy balances were determined for 20MW(e) geothermal plants at each of the three resource temperatures. Working fluid heaters and condensers were sized for these plants. It is concluded that for the advanced plants investigated, geothermal resources in the 365 to 450/sup 0/F range can provide useful energy for powering MX missile bases.

Bliem, C.J.; Kochan, R.J.

1981-11-01T23:59:59.000Z

52

Visualizing Macromolecular Complexes with In Situ Liquid Scanning Transmission Electron Microscopy  

SciTech Connect

A central focus of biological research is understanding the structure/function relationship of macromolecular protein complexes. Yet conventional transmission electron microscopy techniques are limited to static observations. Here we present the first direct images of purified macromolecular protein complexes using in situ liquid scanning transmission electron microscopy. Our results establish the capability of this technique for visualizing the interface between biology and nanotechnology with high fidelity while also probing the interactions of biomolecules within solution. This method represents an important advancement towards allowing future high-resolution observations of biological processes and conformational dynamics in real-time.

Evans, James E.; Jungjohann, K. L.; Wong, Peony C. K.; Chiu, Po-Lin; Dutrow, Gavin H.; Arslan, Ilke; Browning, Nigel D.

2012-11-01T23:59:59.000Z

53

Effect of macromolecular crowding on the rate of diffusion-limited enzymatic reaction  

E-Print Network (OSTI)

The cytoplasm of a living cell is crowded with several macromolecules of different shapes and sizes. Molecular diffusion in such a medium becomes anomalous due to the presence of macromolecules and diffusivity is expected to decrease with increase in macromolecular crowding. Moreover, many cellular processes are dependent on molecular diffusion in the cell cytosol. The enzymatic reaction rate has been shown to be affected by the presence of such macromolecules. A simple numerical model is proposed here based on percolation and diffusion in disordered systems to study the effect of macromolecular crowding on the enzymatic reaction rates. The model explains qualitatively some of the experimental observations.

Manish Agrawal; S. B. Santra; Rajat Anand; Rajaram Swaminathan

2008-07-19T23:59:59.000Z

54

Argonne Breaks Ground on $34.5M MX Research Facility  

NLE Websites -- All DOE Office Websites (Extended Search)

Stephenson Appointed ALD for Photon Sciences Stephenson Appointed ALD for Photon Sciences APS, Other DOE Labs Help Develop New Cancer Fighting Drug Paper on Fast Pharmaceuticals by APS Authors Featured in New Journal Art Scene Investigation: Picasso goes Nanotech Linda Young of APS Elected Vice Chair of DAMOP APS News Archives: 2012 | 2011 | 2010 | 2009 2008 | 2007 | 2006 | 2005 2004 | 2003 | 2002 | 2001 2000 Subscribe to APS News rss feed Argonne Breaks Ground on $34.5M MX Research Facility SEPTEMBER 15, 2011 Bookmark and Share Artist's rendering of the Advanced Protein Crystallization Facility (left in drawing). The Advanced Photon Source experiment hall is at right. The U.S. Department of Energy's (DOE's) Argonne National Laboratory broke ground on August 30, 2011, for a $34.5 million Advanced Protein

55

Biological Macromolecular Structures Data from the RCSB Protein Data Bank (RCSB PDB)  

DOE Data Explorer (OSTI)

The RCSB PDB Information Portal for Biological Macromolecular Structures offers online tools for search and retrieval, for visualizing structures, for depositing, validating, or downloading data, news and highlights, a discussion formum, and links to other areas of related genomic research. (Specialized Interface)

56

Optimal cytoplasmatic density and flux balance model under macromolecular crowding effects  

E-Print Network (OSTI)

Macromolecules occupy between 34 and 44% of the cell cytoplasm, about half the maximum pack- ing density of spheres in three dimension. Yet, there is no clear understanding of what is special about this value. To address this fundamental question we investigate the effect of macromolecular crowding on cell metabolism. We develop a cell scale flux balance model capturing the main features of cell metabolism at different nutrient uptakes and macromolecular densities. Using this model we show there are two metabolic regimes at low and high nutrient uptakes. The latter regime is charac- terized by an optimal cytoplasmatic density where the increase of reaction rates by confinement and the decrease by diffusion slow-down balance. More important, the predicted optimal density is in the range of the experimentally determined density of E. coli. We conclude that cells have evolved to a cytoplasmatic density resulting in the maximum metabolic rate given the nutrient availability and macromolecular crowding effects and report a flux balance model accounting for its effect.

Alexei Vazquez

2009-10-11T23:59:59.000Z

57

System and method for forming synthetic protein crystals to determine the conformational structure by crystallography  

DOE Patents (OSTI)

A method for forming synthetic crystals of proteins in a carrier fluid by use of the dipole moments of protein macromolecules that self-align in the Helmholtz layer adjacent to an electrode. The voltage gradients of such layers easily exceed 10.sup.6 V/m. The synthetic protein crystals are subjected to x-ray crystallography to determine the conformational structure of the protein involved.

Craig, George D. (Lafayette, CA); Glass, Robert (Livermore, CA); Rupp, Bernhard (Dublin, CA)

1997-01-01T23:59:59.000Z

58

Refining structures against reflection rank: An alternative metric for electron crystallography.  

E-Print Network (OSTI)

1Refining structures against reflection rank: An alternative metric for electron crystallography. Alexander S. Eggeman and Paul A. Midgley * Department of Materials Science and Metallurgy, University of Cambridge, Pembroke Street, Cambridge, CB2 3QZ... it contains a combination of heavy, medium and light atoms and has a sufficiently complex structure to give a wide range of diffraction intensities and a highly non-monotonic variation of intensity with increasing scattering angle. The material occupies...

Eggeman, Alexander; Migley, Paul

59

System and method for forming synthetic protein crystals to determine the conformational structure by crystallography  

DOE Patents (OSTI)

A method is disclosed for forming synthetic crystals of proteins in a carrier fluid by use of the dipole moments of protein macromolecules that self-align in the Helmholtz layer adjacent to an electrode. The voltage gradients of such layers easily exceed 10{sup 6}V/m. The synthetic protein crystals are subjected to x-ray crystallography to determine the conformational structure of the protein involved. 2 figs.

Craig, G.D.; Glass, R.; Rupp, B.

1997-01-28T23:59:59.000Z

60

Description and procedures for synchrotron radiation, small molecule, single crystal crystallography of plutonium complexes at ALS beamline 11.3.1  

E-Print Network (OSTI)

Crystallography of Plutonium Complexes at ALS Beamlineof the Structural Parameters of Plutonium Complexes by Smallpreparation and growth of the plutonium complexes (crystals)

Gorden, A.E.V.; Raymond, K.N.; Shuh, D.K.

2008-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


61

JBLULCE  

Energy Science and Technology Software Center (OSTI)

002719MLTPL00 JBlulce Data Acquisition Software for Macromolecular Crystallography http://www.gmca.anl.gov/jbluice-epics/

62

Optical Performance of the GM/CA-CAT Canted Undulator Beam lines for Protein Crystallography  

SciTech Connect

A new macromolecular crystallographic facility developed by GM/CA-CAT is operational at the Advanced Photon Source (APS). The facility consists of three beamlines: two lines based on the first 'hard' dual canted undulators and one bending magnet beamline. The ID lines are operational, and the BM line is being commissioned. Both insertion device (ID) beamlines are independently tunable over a wide energy range. The inboard ID lines have been upgraded with a new insertion device to provide enhanced performance for MAD phasing experiments near the selenium and bromine K-edges. The ID line monochromators' crystals are indirectly, cryogenically cooled for improved performance and reliability. Focusing is achieved by long bimorph mirrors in a Kirkpatrick-Baez geometry. This paper describes the design of the beam lines and the optical characterization of the mirrors and monochromators.

Fischetti, Robert F.; Yoder, Derek W.; Xu Shenglan; Stepanov, Sergey; Makarov, Oleg; Benn, Richard; Corcoran, Stephen [GM/CA-CAT, Biosciences Division, Argonne National Laboratory, Argonne, IL 60439 (United States); Diete, Wolfgang; Schwoerer-Boehing, Markus; Signorato, Riccardo; Schroeder, Leif [ACCEL Instruments GmbH, Friedrich-Ebert Strasse 1, D-51429 Bergisch Gladbach (Germany); Berman, Lonny [National Synchrotron Light Source, Brookhaven National Laboratory, Upton, NY 11973 (United States); Viccaro, P. James [University of Chicago, CARS-CAT, Argonne National Laboratory, Argonne, IL 60439 (United States); Smith, Janet L. [GM/CA-CAT, Biosciences Division, Argonne National Laboratory, Argonne, IL 60439 (United States); Life Sciences Institute, University of Michigan, Ann Arbor, MI 48109 (United States)

2007-01-19T23:59:59.000Z

63

NMR crystallography: The effect of deuteration on high resolution 13 state NMR spectra of a 7-TM protein  

E-Print Network (OSTI)

NMR crystallography: The effect of deuteration on high resolution 13 C solid state NMR spectra, and indirect, 9­17 ppm, dimensions). The measured 13 C NMR line-widths observed for both protonated. Introduction Perdeuteration has been used routinely in solution NMR for 13 C, 15 N labeled protein assignment

Watts, Anthony

64

Single-crystal Raman spectroscopy and X-ray crystallography at beamline X26-C of the NSLS  

E-Print Network (OSTI)

Three-dimensional structures derived from X-ray diffraction of protein crystals provide a wealth of information. Features and interactions important for the function of macromolecules can be deduced and catalytic mechanisms postulated. Still, many questions can remain, for example regarding metal oxidation states and the interpretation of mystery density, i.e. ambiguous or unknown features within the electron density maps, especially at 2A ? resolutions typical of most macromolecular structures. Beamline X26-C at the

Deborah Stoner-ma; John M. Skinner; Dieter K. Schneider; Matt Cowan; Robert M. Sweet; Allen M. Orville

2010-01-01T23:59:59.000Z

65

Description and procedures for synchrotron radiation, small molecule, single crystal crystallography of plutonium complexes at ALS beamline 11.3.1  

E-Print Network (OSTI)

70A prior to transfer to the ALS. The capillary fits snuglyCrystallography of Plutonium Complexes at ALS Beamline11.3.1 (ALS and College of Chemistry Small Molecule

Gorden, A.E.V.; Raymond, K.N.; Shuh, D.K.

2008-01-01T23:59:59.000Z

66

Geothermal assessment of the MX deployment area in Nevada. Final report, April 1, 1981-April 30, 1982  

DOE Green Energy (OSTI)

A preliminary geothermal resource assessment of the MX deployment area in Nevada focused on Coyote Spring Valley in southeastern Nevada. Initially, an extensive literature search was conducted and a bibliography consisting of 750 entries was compiled covering all aspects of geology pertaining to the study area. A structural study indicates that Coyote Spring Valley lies in a tectonically active area which is favorable for the discovery of geothermal resources. Hot water may be funneled to the near-surface along an extensive fracture and fault system which appears to underlie the valley, according to information gathered during the literature search and aerial photo survey. A total of 101 shallow temperature probes were emplanted in Coyote Spring Valley. Three anomalous temperature points all lying within the same vicinity were identified in the north-central portion of the valley near a fault. A soil-mercury study also identified one zone of anomalous mercury concentrations around the north end of the Arrow Canyon Range. A literature search covering regional fluid geochemistry indicated that the three fluid samples taken from Coyote Spring Valley have a higher concentration of Na + K. During field work, seven fluid samples were collected in Coyote Spring Valley which also appear to be derived from volcanic units due to the presence of Ca-Mg or Na-K carbonate-bicarbonate. A temperature gradient study of six test water wells indicates that only one geothermal well with a temperature of 35.5/sup 0/C (96/sup 0/F) exists in the central portion of the valley at the north end of Arrow Canyon Range near the zone of anomalous soil-mercury points. A cultural assessment of Coyote Spring Valley was performed prior to field work.

Trexler, D.T.; Bruce, J.L.; Cates, D.; Dolan, H.H.; Covington, C.H.

1982-06-01T23:59:59.000Z

67

Charge-coupled-device/fiberoptic taper array X-ray detector for protein crystallography  

SciTech Connect

A large area, charge-couple-device (CCD) based fiberoptic taper array detector (APS-1) has been installed at the insertion-device beamline of the Structural Biology Center at the ANL Advanced Photon Source. The detector is used in protein crystallography diffraction experiments, where the objective is to measure the position and intensity of X-ray Bragg peaks in diffraction images. Large imaging area, very high spatial resolution, high X-ray sensitivity, good detective quantum efficiency, low noise, wide dynamic range, excellent stability and short readout time are all fundamental requirements in this application. The APS-1 detector converts the two-dimensional X-ray patterns to a visible light images by a thin layer of X-ray sensitive phosphor. The phosphor coating is directly deposited on the large ends of nine fiberoptic tapers arranged in a 3x3 array. Nine, thermoelectrically cooled 1024 x 1024 pixel CCD`s image the patterns, demagnified by the tapers. After geometrical and uniformity corrections, the nine areas give a continuous image of the detector face with virtually no gaps between the individual tapers. The 18 parallel analog signal-processing channels and analog-to-digital converters assure short readout time and low readout noise.

Naday, I.; Ross, S.; Westbrook, E.M.; Zentai, G.

1997-03-01T23:59:59.000Z

68

DOE F 740-MX  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Form 740M Form 740M (10-88) MANDATORY DATA COLLECTION AUTHORIZED BY 10 CFR 30, 40, 50, 70, 75, 150, Public Laws 83-703, 93-438, 95-91 OMB Control No. 1910-1800 4. REPORTING PERIOD 3. RIS 2. ATTACHMENT TO a. DOE/NRC 741 a. SHIPPER'S RIS b. RECEIVER'S RIS c. TRANS. NO. d. CORR NO. e. PC f. AC g. DATA CODE b. DOE/NRC 742 c. DOE/NRC 742c 5. TRANSACTION DATA 1. NAME 8a. LINE NO. 9. SIGNATURE (See instructions for provisions regarding confidentiality.) To the best of my knowledge and belief, the information given above and in any attached schedules is true, complete, and correct. 10. TITLE 11. DATE b. ENTRY REFERENCE c. TEXT OF CONCISE NOTE STREET ADDRESS CITY STATE ZIP CODE FROM 6. REPORTING DATE 7. LICENSE NUMBERS TO Public Reporting Notice Disclosure on Back U.S. DEPARTMENT OF ENERGY AND U.S. NUCLEAR REGULATORY COMMISSION

69

Time-of-flight neutron diffraction study of bovine [gamma]-chymotrypsin at the Protein Crystallography Station  

SciTech Connect

The overarching goal of this research project is to determine, for a subset of proteins, exact hydrogen positions using neutron diffraction, thereby improving H-atom placement in proteins so that they may be better used in various computational methods that are critically dependent upon said placement. In order to be considered applicable for neutron diffraction studies, the protein of choice must be amenable to ultrahigh-resolution X-ray crystallography, be able to form large crystals (1 mm{sup 3} or greater) and have a modestly sized unit cell (no dimension longer than 100 {angstrom}). As such, {gamma}-chymotrypsin is a perfect candidate for neutron diffraction. To understand and probe the role of specific active-site residues and hydrogen-bonding patterns in {gamma}-chymotrypsin, neutron diffraction studies were initiated at the Protein Crystallography Station (PCS) at Los Alamos Neutron Science Center (LANSCE). A large single crystal was subjected to H/D exchange prior to data collection. Time-of-flight neutron diffraction data were collected to 2.0 {angstrom} resolution at the PCS with 85% completeness. Here, the first time-of-flight neutron data collection from {gamma}-chymotrypsin is reported.

Lazar, Louis M.; Fisher, S. Zoe; Moulin, Aaron G.; Kovalevsky, Andrey; Novak, Walter R.P.; Langan, Paul; Petsko, Gregory A.; Ringe, Dagmar (Brandeis); (LANL)

2012-02-06T23:59:59.000Z

70

General User Information  

NLE Websites -- All DOE Office Websites (Extended Search)

Instructions Instructions for using the online proposal system, with tips and troubleshooting advice. Blank Proposal Forms Two samples, one for macromolecular crystallography...

71

IMCA-CAT  

NLE Websites -- All DOE Office Websites (Extended Search)

Home Advanced Photon Source Advanced Photon Source User Activity Report IMCA-CAT, Industrial Macromolecular Crystallography Association Collaborative Access Team 17-BM...

72

FY2003 SSRLUO Executive Committee  

NLE Websites -- All DOE Office Websites (Extended Search)

Macromolecular Crystallography Materials Chemistry SSRL Liaison Structural Molecular Biology corner corner Uwe Bergmann (Chair) SSRL, ESRD, 2575 Sand Hill Rd., Menlo Park, CA...

73

Terwilliger honored with ACA Award  

NLE Websites -- All DOE Office Websites (Extended Search)

chemical crystallography, statistics, and computer codes has enabled him to produce a string of programs that have helped to transform the field of macromolecular structure...

74

Automatic recovery of missing amplitudes and phases in tilt-limited electron crystallography of two-dimensional crystals  

SciTech Connect

Electron crystallography of 2D protein crystals provides a powerful tool for the determination of membrane protein structure. In this method, data is acquired in the Fourier domain as randomly sampled, uncoupled, amplitudes and phases. Due to physical constraints on specimen tilting, those Fourier data show a vast un-sampled ''missing cone'' of information, producing resolution loss in the direction perpendicular to the membrane plane. Based on the flexible language of projection onto sets, we provide a full solution for these problems with a projective constraint optimization algorithm that, for sufficiently oversampled data, produces complete recovery of unmeasured data in the missing cone. We apply this method to an experimental data set of Bacteriorhodopsin and show that, in addition to producing superior results compared to traditional reconstruction methods, full, reproducible, recovery of the missing cone from noisy data is possible. Finally, we present an automatic implementation of the refinement routine as open source, freely distributed, software that will be included in our 2dx software package.

Gipson, Bryant R.; Stahlberg, Henning [Center for Cellular Imaging and Nano Analytics (C-CINA), Biozentrum, University Basel, WRO-1058 Mattenstrasse 26, CH-4058 Basel (Switzerland); Masiel, Daniel J.; Browning, Nigel D. [Department of Chemical Engineering and Materials Sciences, University of California at Davis, Davis, California 95616 (United States); Spence, John [Department of Physics, Arizona State University, Tempe, Arizona 85287 (United States); Mitsuoka, Kaoru [Biomedicinal Information Research Center (BIRC), National Institute of Advanced Industrial Science and Technology (AIST), 2-3-26, Aomi, Koto-ku, Tokyo 135-0064 (Japan)

2011-07-15T23:59:59.000Z

75

Beamline 8.2.1  

NLE Websites -- All DOE Office Websites (Extended Search)

1 Print 1 Print Berkeley Center for Structural Biology (BCSB) Multiple-Wavelength Anomalous Diffraction (MAD) and Macromolecular Crystallography (MX) Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics Superbend magnet (5.0 T, single pole) Energy range 5-16 keV Monochromator Double crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 3.0 x 1011 photons/sec Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0 (h) x 0.5 (v) mrad Measured spot size (FWHM) 100 µm Endstations Minihutch Detectors 3x3 CCD array (ADSC Q315R) Sample format Single crystals of biological molecules Sample preparation Support labs available Sample environment Ambient or ~100 K

76

Beamline 8.2.2  

NLE Websites -- All DOE Office Websites (Extended Search)

2 Print 2 Print Berkeley Center for Structural Biology (BCSB) Multiple-Wavelength Anomalous Diffraction (MAD) and Macromolecular Crystallography (MX) GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics Superbend (5.0 T, single pole) Energy range 5-16 keV Monochromator Double crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 3.0 x 1011 photons/sec Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0(h) x 0.5(v) mrad Measured spot size at sample (FWHM) 100 µm Endstations Minihutch Detectors 3x3 CCD array (ADSC Q315) Sample format Single crystals of biological molecules Sample preparation Support labs available Sample environment Ambient or ~100 K Special notes Computers for data processing and analysis are available

77

Beamline 8.2.2  

NLE Websites -- All DOE Office Websites (Extended Search)

2 Print 2 Print Berkeley Center for Structural Biology (BCSB) Multiple-Wavelength Anomalous Diffraction (MAD) and Macromolecular Crystallography (MX) GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics Superbend (5.0 T, single pole) Energy range 5-16 keV Monochromator Double crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 3.0 x 1011 photons/sec Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0(h) x 0.5(v) mrad Measured spot size at sample (FWHM) 100 µm Endstations Minihutch Detectors 3x3 CCD array (ADSC Q315) Sample format Single crystals of biological molecules Sample preparation Support labs available Sample environment Ambient or ~100 K Special notes Computers for data processing and analysis are available

78

Beamline 8.2.2  

NLE Websites -- All DOE Office Websites (Extended Search)

2 Print 2 Print Berkeley Center for Structural Biology (BCSB) Multiple-Wavelength Anomalous Diffraction (MAD) and Macromolecular Crystallography (MX) GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics Superbend (5.0 T, single pole) Energy range 5-16 keV Monochromator Double crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 3.0 x 1011 photons/sec Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0(h) x 0.5(v) mrad Measured spot size at sample (FWHM) 100 µm Endstations Minihutch Detectors 3x3 CCD array (ADSC Q315) Sample format Single crystals of biological molecules Sample preparation Support labs available Sample environment Ambient or ~100 K Special notes Computers for data processing and analysis are available

79

Beamline 8.2.2  

NLE Websites -- All DOE Office Websites (Extended Search)

2 Print 2 Print Berkeley Center for Structural Biology (BCSB) Multiple-Wavelength Anomalous Diffraction (MAD) and Macromolecular Crystallography (MX) GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics Superbend (5.0 T, single pole) Energy range 5-16 keV Monochromator Double crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 3.0 x 1011 photons/sec Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0(h) x 0.5(v) mrad Measured spot size at sample (FWHM) 100 µm Endstations Minihutch Detectors 3x3 CCD array (ADSC Q315) Sample format Single crystals of biological molecules Sample preparation Support labs available Sample environment Ambient or ~100 K Special notes Computers for data processing and analysis are available

80

Beamline 8.2.1  

NLE Websites -- All DOE Office Websites (Extended Search)

1 Print 1 Print Berkeley Center for Structural Biology (BCSB) Multiple-Wavelength Anomalous Diffraction (MAD) and Macromolecular Crystallography (MX) Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics Superbend magnet (5.0 T, single pole) Energy range 5-16 keV Monochromator Double crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 3.0 x 1011 photons/sec Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0 (h) x 0.5 (v) mrad Measured spot size (FWHM) 100 µm Endstations Minihutch Detectors 3x3 CCD array (ADSC Q315R) Sample format Single crystals of biological molecules Sample preparation Support labs available Sample environment Ambient or ~100 K

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


81

Beamline 8.3.1  

NLE Websites -- All DOE Office Websites (Extended Search)

1 Print 1 Print Multiple-wavelength anomalous diffraction (MAD) and macromolecular crystallography (MX) Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics Superbend magnet (5.0 tesla, single pole) Energy range 5-17 keV (1% max flux) Monochromator Double flat crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 2.5 x 1011 at 11 keV Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0 (h) x 0.35 (v) mrad Endstations Minihutch Detectors 3 x 3 CCD array (ADSC Q315r) Measured spot size at sample (FWHM) 0.120 (h) x 0.108 (v) mm Sample format Single crystals of biological molecules. Crystallization tray goniometer available with prior arrangement.

82

Beamline 8.2.2  

NLE Websites -- All DOE Office Websites (Extended Search)

2 Print 2 Print Berkeley Center for Structural Biology (BCSB) Multiple-Wavelength Anomalous Diffraction (MAD) and Macromolecular Crystallography (MX) GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics Superbend (5.0 T, single pole) Energy range 5-16 keV Monochromator Double crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 3.0 x 1011 photons/sec Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0(h) x 0.5(v) mrad Measured spot size at sample (FWHM) 100 µm Endstations Minihutch Detectors 3x3 CCD array (ADSC Q315) Sample format Single crystals of biological molecules Sample preparation Support labs available Sample environment Ambient or ~100 K Special notes Computers for data processing and analysis are available

83

Beamline 8.3.1  

NLE Websites -- All DOE Office Websites (Extended Search)

1 Print 1 Print Multiple-wavelength anomalous diffraction (MAD) and macromolecular crystallography (MX) Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics Superbend magnet (5.0 tesla, single pole) Energy range 5-17 keV (1% max flux) Monochromator Double flat crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 2.5 x 1011 at 11 keV Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0 (h) x 0.35 (v) mrad Endstations Minihutch Detectors 3 x 3 CCD array (ADSC Q315r) Measured spot size at sample (FWHM) 0.120 (h) x 0.108 (v) mm Sample format Single crystals of biological molecules. Crystallization tray goniometer available with prior arrangement.

84

Beamline 8.2.2  

NLE Websites -- All DOE Office Websites (Extended Search)

2 Print 2 Print Berkeley Center for Structural Biology (BCSB) Multiple-Wavelength Anomalous Diffraction (MAD) and Macromolecular Crystallography (MX) GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics Superbend (5.0 T, single pole) Energy range 5-16 keV Monochromator Double crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 3.0 x 1011 photons/sec Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0(h) x 0.5(v) mrad Measured spot size at sample (FWHM) 100 µm Endstations Minihutch Detectors 3x3 CCD array (ADSC Q315) Sample format Single crystals of biological molecules Sample preparation Support labs available Sample environment Ambient or ~100 K Special notes Computers for data processing and analysis are available

85

Beamline 8.2.1  

NLE Websites -- All DOE Office Websites (Extended Search)

1 Print 1 Print Berkeley Center for Structural Biology (BCSB) Multiple-Wavelength Anomalous Diffraction (MAD) and Macromolecular Crystallography (MX) Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics Superbend magnet (5.0 T, single pole) Energy range 5-16 keV Monochromator Double crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 3.0 x 1011 photons/sec Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0 (h) x 0.5 (v) mrad Measured spot size (FWHM) 100 µm Endstations Minihutch Detectors 3x3 CCD array (ADSC Q315R) Sample format Single crystals of biological molecules Sample preparation Support labs available Sample environment Ambient or ~100 K

86

Beamline 8.3.1  

NLE Websites -- All DOE Office Websites (Extended Search)

1 Print 1 Print Multiple-wavelength anomalous diffraction (MAD) and macromolecular crystallography (MX) Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics Superbend magnet (5.0 tesla, single pole) Energy range 5-17 keV (1% max flux) Monochromator Double flat crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 2.5 x 1011 at 11 keV Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0 (h) x 0.35 (v) mrad Endstations Minihutch Detectors 3 x 3 CCD array (ADSC Q315r) Measured spot size at sample (FWHM) 0.120 (h) x 0.108 (v) mm Sample format Single crystals of biological molecules. Crystallization tray goniometer available with prior arrangement.

87

Beamline 8.2.2  

NLE Websites -- All DOE Office Websites (Extended Search)

2 Print 2 Print Berkeley Center for Structural Biology (BCSB) Multiple-Wavelength Anomalous Diffraction (MAD) and Macromolecular Crystallography (MX) GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics Superbend (5.0 T, single pole) Energy range 5-16 keV Monochromator Double crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 3.0 x 1011 photons/sec Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0(h) x 0.5(v) mrad Measured spot size at sample (FWHM) 100 µm Endstations Minihutch Detectors 3x3 CCD array (ADSC Q315) Sample format Single crystals of biological molecules Sample preparation Support labs available Sample environment Ambient or ~100 K Special notes Computers for data processing and analysis are available

88

Beamline 8.2.2  

NLE Websites -- All DOE Office Websites (Extended Search)

2 Print 2 Print Berkeley Center for Structural Biology (BCSB) Multiple-Wavelength Anomalous Diffraction (MAD) and Macromolecular Crystallography (MX) GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics Superbend (5.0 T, single pole) Energy range 5-16 keV Monochromator Double crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 3.0 x 1011 photons/sec Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0(h) x 0.5(v) mrad Measured spot size at sample (FWHM) 100 µm Endstations Minihutch Detectors 3x3 CCD array (ADSC Q315) Sample format Single crystals of biological molecules Sample preparation Support labs available Sample environment Ambient or ~100 K Special notes Computers for data processing and analysis are available

89

Beamline 8.2.1  

NLE Websites -- All DOE Office Websites (Extended Search)

1 Print 1 Print Berkeley Center for Structural Biology (BCSB) Multiple-Wavelength Anomalous Diffraction (MAD) and Macromolecular Crystallography (MX) Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics Superbend magnet (5.0 T, single pole) Energy range 5-16 keV Monochromator Double crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 3.0 x 1011 photons/sec Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0 (h) x 0.5 (v) mrad Measured spot size (FWHM) 100 µm Endstations Minihutch Detectors 3x3 CCD array (ADSC Q315R) Sample format Single crystals of biological molecules Sample preparation Support labs available Sample environment Ambient or ~100 K

90

Beamline 8.3.1  

NLE Websites -- All DOE Office Websites (Extended Search)

3.1 Print 3.1 Print Multiple-wavelength anomalous diffraction (MAD) and macromolecular crystallography (MX) Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics Superbend magnet (5.0 tesla, single pole) Energy range 5-17 keV (1% max flux) Monochromator Double flat crystal, Si(111) Measured flux (1.9 GeV, 400 mA) 2.5 x 1011 at 11 keV Resolving power (E/ΔE) 7,000 Divergence (max at sample) 3.0 (h) x 0.35 (v) mrad Endstations Minihutch Detectors 3 x 3 CCD array (ADSC Q315r) Measured spot size at sample (FWHM) 0.120 (h) x 0.108 (v) mm Sample format Single crystals of biological molecules. Crystallization tray goniometer available with prior arrangement.

91

Materials Science/Crystallography  

Science Conference Proceedings (OSTI)

... R.247 Hydrogen Adsorbed in Mesoporous Carbons Brown, C ... Physical and Chemical Mechanisms Responsible for Carbon Sequestration in Soil ...

2004-08-17T23:59:59.000Z

92

Materials Science/Crystallography  

Science Conference Proceedings (OSTI)

... Understanding the ormation of Methane Hydrate F ... J.247 agnetic Excitation Spectrum in Spin ... eutron Vibrational Spectroscopy of Organic Materials ...

2003-11-12T23:59:59.000Z

93

electronic reprint Crystallography  

E-Print Network (OSTI)

were implemented in a Chemkin-type kinetic mechanism to simulate a high-T (1500 K) pyrolitic the species involved in the pathways. Kinetic simulation results in a high-temperature pyrolysis environment. Thermochim. Acta 1990, 168, 179. (60) Lewis, I. C. Carbon 1982, 20, 519. (61) Dobbins, R. A.; Govatzidakis, G

Vocadlo, Lidunka

94

electronic reprint Crystallography  

E-Print Network (OSTI)

. Yao, K. Gouhara, N. Kato, Thermochim. Acta 88, 143 (1985). 58. G. Dolino, F. Mogeon, P. Bastie, Phys flux measurements at a depth of 8 cm. Conditional sampling (filled octa- gons) was simulated from

Vocadlo, Lidunka

95

MATERIALS SCIENCE/CRYSTALLOGRAPHY  

Science Conference Proceedings (OSTI)

... Volume Fraction Determination in Ni-Base Superalloys by ... Induced Stress Relaxation Around Welds in Steel ... Properties of Stir-Welded AL-6XN ...

2003-01-07T23:59:59.000Z

96

electronic reprint Crystallography  

E-Print Network (OSTI)

-plate single-crystal silicon sample holders for neutron powder diffraction studies of highly absorbing ­ all rights reserved Flat-plate single-crystal silicon sample holders for neutron powder diffraction 459, Station 18, Chalk River Laboratories, Chalk River, Ontario, Canada K0J 1J0. Correspondence e

Ryan, Dominic

97

Materials Science/Crystallography  

Science Conference Proceedings (OSTI)

... R.441, Alinger, M.441, Wirth, B.183 PV Steel Microstructure Evaluation SANS and SAXS Determination of the Dispersion in Organic Solvents of ...

2003-11-12T23:59:59.000Z

98

electronic reprint Crystallography  

E-Print Network (OSTI)

software for the singular value decomposition of time-resolved crystallographic data Yi Zhao and Marius(s) of this paper may load this reprint on their own web site or institutional repository provided that this cover and interpretation, numerical analysis and other related sub- jects are also covered. The journal is the primary

Schmidt, Marius

99

TUTORIALS: Software for Crystallography  

Science Conference Proceedings (OSTI)

Jul 8, 2007 ... The software runs in your web browser in the form of Java applets. Currently the site has applets on: Three dimensional visualization of the 14...

100

Molecular Control of Macromolecular Properties  

E-Print Network (OSTI)

inorganic PVs, more of the solar spectrum must be harvestedrespect to the AM 1.5 solar spectrum confirms the J sc asfunctionalized P3HT over the solar spectrum (AM 1.5) 28 and

Holcombe, Thomas

2011-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


101

ANIMATION: Crystallography: Gamma Prime - TMS  

Science Conference Proceedings (OSTI)

Feb 9, 2007 ... This 21-second animation demonstrates the crystal structure of gamma prime in nickel based superalloys. SOURCE: Bhadeshia, H. K. D. H....

102

Neutron crystallography aids drug design  

NLE Websites -- All DOE Office Websites (Extended Search)

shatters records in first year of accelerated shipping effort Evolutionary theory, web-search technology combine for DNA analysis Northern New Mexico College Foundation honors...

103

Women @ Energy: Jasmine Hasi | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Jasmine Hasi Jasmine Hasi Women @ Energy: Jasmine Hasi March 12, 2013 - 1:23pm Addthis Dr. Jasmine Hasi is an expert in designing and fabricating silicon radiation sensors for high energy physics and macromolecular crystallography applications. Dr. Jasmine Hasi is an expert in designing and fabricating silicon radiation sensors for high energy physics and macromolecular crystallography applications. Dr. Jasmine Hasi is an expert in designing and fabricating silicon radiation sensors for high energy physics and macromolecular crystallography applications. She received her doctorate from Brunel University in London, with much of her thesis research being performed at Stanford and SLAC. Jasmine was instrumental in the development of 3D architecture radiation sensors working with her advisors. Sensors based on

104

Workshop on Macromolecular Separations-by-Design  

Science Conference Proceedings (OSTI)

... Karen Patrici nanoco Willem Molec Cather Hydro Chrom 0 Break Jack D 0 Karl F ... Room B support of ns?by?Desi ration of Car oom B uctions. ...

2012-10-05T23:59:59.000Z

105

The Molecular Foundry - Organic and Macromolecular Synthesis...  

NLE Websites -- All DOE Office Websites (Extended Search)

Mater. 1, 437-442 (2012). pdf A.E. Albers, E.M. Chan, P.M. McBride, C.M. Ajo-Franklin, B.E. Cohen, and B.A. Helms, "Dual-Emitting Quantum DotQuantum Rod-Based...

106

Biological Sciences: Macromolecular Structure and Dynamics  

NLE Websites -- All DOE Office Websites (Extended Search)

Genotype Versus Phenotype Biomarker Discovery Initiative with the Fred Hutchinson Cancer Research Center High-Throughput Proteomics for Trauma Research with the...

107

Available Technologies: LABELIT Software for Macromolecular ...  

The Lawrence Berkeley Laboratory Indexing Toolbox (LABELIT) expedites the in-house processing of x-ray diffraction images in situations where the pace of data ...

108

The Molecular Foundry - Organic and Macromolecular Synthesis...  

NLE Websites -- All DOE Office Websites (Extended Search)

and B. A. Helms, "Exceptionally Mild Reactive Stripping of Native Ligands from Nanocrystal Surfaces by Using Meerwein's Salt". Angewandte Chemie International Edition. (2011)...

109

Proposal Submittal and Scheduling Procedures for Macromolecular...  

NLE Websites -- All DOE Office Websites (Extended Search)

merit and to assure that all ES&H guidelines are met in accordance with standard SSRL policies and procedures. Sufficient generic information to enable Proposal Review Panel review...

110

The Molecular Foundry - Organic and Macromolecular Synthesis...  

NLE Websites -- All DOE Office Websites (Extended Search)

possessing high light absorbing capabilities, high solubility, high charge carrier mobility and nanoscale ordering functionality. Solution processable subphthalocyanines...

111

SSRL Deadlines | Stanford Synchrotron Radiation Lightsource  

NLE Websites -- All DOE Office Websites (Extended Search)

Deadlines Deadlines Beam Time Requests - See How to Request Beam Time Due Dates X-ray / VUV (Submit in User Portal) November - February scheduling August 15 February - May scheduling November 15 May - July scheduling February 20 Macromolecular Crystallography (MC) (Submit in User Portal) November - February scheduling September 15 March - May scheduling January 22 June - July scheduling April 20 New Proposals & Extension Requests - See Proposal & Scheduling Guidelines Due Dates X-ray / VUV (Submit in User Portal) Beam time eligibility beginning in November June 1 Beam time eligibility beginning in February September 3 Beam time eligibility beginning in May December 1 Macromolecular Crystallography (Submit in User Portal) Beam time eligibility beginning November July 1

112

The crystallography of three flavor quark matter  

E-Print Network (OSTI)

The nature of cold three-flavor quark matter at the large (but not asymptotic) densities relevant to neutron star phenomenology is not resolved. The gapless CFL phase, which was previously believed to have the lowest free ...

Sharma, Rishi, Ph. D. Massachusetts Institute of Technology

2007-01-01T23:59:59.000Z

113

MATERIALS SCIENCE/CRYSTALLOGRAPHY Bond-Valence ...  

Science Conference Proceedings (OSTI)

... Institut, Germany 85McClellan Nuclear Radiation Center ... of Puerto Ric 243NIST, Occupational Health and Safety Division 244University of ...

2002-03-20T23:59:59.000Z

114

LANSCE | Lujan Center | Instruments | PCS  

NLE Websites -- All DOE Office Websites (Extended Search)

Protein Crystallography Station | PCS Protein Crystallography Station | PCS Structural Enzymology The Protein Crystallography Station (PCS) at LANSCE is a high performance beam line that is funded by DOE OBER. It forms the core of a capability for joint neutron and X-ray macromolecular structure and function determination. The PCS is the first protein crystallography beam line to be built at a spallation neutron source and is still the only resource of its kind in North America. The beam-line exploits the pulsed nature of spallation neutrons and a large electronic detector in order to efficiently collect wavelength resolved Laue patterns using all available neutrons in the white beam (0.7 - 7 Å wavelength band). Neutron crystallography is a powerful technique for locating H atoms that can be hard to detect using X-rays. The PCS therefore provides unique

115

x ?(x)(D / + m)?(x) + 1  

E-Print Network (OSTI)

Abstract. Lattice QCD has generated a wealth of data in hadronic physics over the last two decades. Until relatively recently, most of this information has been within the quenched approximation where virtual quarkanti-quark pairs are neglected. This review presents a descriptive discussion of the effects of removing this approximation in the calculation of hadronic masses. 1

C. Allton

2004-01-01T23:59:59.000Z

116

A macromolecular delivery vehicle for protein-based vaccines: Acid ...  

... methane, was designed as the key acid-cleavable crosslinking monomer used to prepare acid-degradable protein-loaded microgels by inverse ...

117

NMR imaging of anomalous solvent transport in macromolecular materials  

SciTech Connect

Systems in which a change in state accompanies solvent transport, exhibits a sharp solvent front that penetrates the sample like a shock wave; such behavior is called case II transport to distinguish it from Fickian transport. This occurs in macromolecule/solvent systems such as bituminous coals swollen in pyridine; the only requirement for case II behavior is a glassy state in the dry state, crossing over to a rubbery state during solvent uptake. A sharply defined solvent front and a constant front velocity are present. Case II behavior are related to relative magnitudes of characteristic diffusion times and molecular relaxation times. An experimental study of case II transport of methanol in polyethylmethacrylate and pyridine in coal using optical and NMR imaging techniques is reported in this paper.

Cody, G.D.; Botto, R.E.

1993-08-01T23:59:59.000Z

118

Terpenes as Renewable Resources for Organic and Macromolecular Chemistry.  

E-Print Network (OSTI)

??With the goal to develop innovative science and technology to significantly reduce our dependence on fossil fuel, the use of the renewable resources via green (more)

Firdaus, Maulidan

2013-01-01T23:59:59.000Z

119

Bio-inspired Materials Design and Processing I: Macromolecular ...  

Science Conference Proceedings (OSTI)

Feb 15, 2010 ... With the recent developments of nanoscale engineering in physical and chemical sciences and the advances in molecular biology, molecular...

120

Floor Support | Stanford Synchrotron Radiation Lightsource  

NLE Websites -- All DOE Office Websites (Extended Search)

Floor Support Floor Support Service Responsible Person BLDG Extension (650) 926-XXXX Beam Status Duty Operator 120 926-2326 (BEAM) Duty Operator Cell Duty Operator 120 926-4040 Scheduling X-ray/VUV Macromolecular Crystallography Cathy Knotts Lisa Dunn 120 120 3191 2087 User Check-In/Badging Jackie Kerlegan 120 2079 User Financial Accounts Jackie Kerlegan 120 2079 Beam Lines/ VUV Bart Johnson 120 3858 Beam Lines/ X-ray Bart Johnson 120 3858 Beam Lines/ X-ray Mechanical Chuck Troxel, Jr. 120 2700 Beam Lines/ X-ray-VUV Electronics Alex Garachtchenko 120 3440 Beam Lines/ Macromolecular Crystallography Mike Soltis 277 3050 SMB XAS Beam Lines & Equipment Matthew Latimer Erik Nelson 274 274 4944 3938 MEIS XAS Beam Lines & Equipment Matthew Latimer

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


121

BNL | Allen M. Orville  

NLE Websites -- All DOE Office Websites (Extended Search)

Allen M. Orville Allen M. Orville Allen Orville is a co-PI and a beamline scientist in the Macromolecular Crystallography Research Resource (PXRR) which provides facilities and support at the National Synchrotron Light Source for the benefit of outside and in-house investigators. The PXRR is supported by the NIH's National Center for Research Resources and the DOE Office of Biological and Environmental Research in its mission to create optimal facilities and environments for macromolecular structure determination by synchrotron X-ray diffraction. With a staff of about 24, the PXRR innovates new access modes such as FedEx crystallography, builds new facilities, currently on the X25 undulator, advances automation, develops remote participation software, collaborates with outside groups, teaches novice users, and

122

Forms & Applications | Stanford Synchrotron Radiation Lightsource  

NLE Websites -- All DOE Office Websites (Extended Search)

Forms & Applications Forms & Applications Forms: Before You Arrive User Information Log in to the User Portal to Register or Update Contact Informatioin Proposals Submit Proposals via User Portal (including Rapid Access and Letters of Intent) Proposal Extension Requests X-ray/VUV/SMB Macromolecular Crystallography (MC) User Agreements Non-Proprietary User Agreement Proprietary Research User Agreement Beam Time & Support Requests Log in to User Portal to Submit Beam Time or User Support Requests Computer Account X-ray/VUV/SMB Macromolecular Crystallography Use of SLAC Information Resources (submit with account request) User Financial Account User Financial Account Gas & Cryogenics Liquid Helium & Standard/Specialty Shipping & Receiving Hazardous Materials Shipper Non-Hazardous Materials Shipper

123

Direct detection of x-rays for protein crystallography  

DOE Patents (OSTI)

An apparatus and method for directly determining the crystalline structure of a protein crystal. The crystal is irradiated by a finely collimated x-ray beam. The interaction o f the x-ray beam with the crystal produces scattered x-rays. These scattered x-rays are detected by means of a large area, thick CCD which is capable of measuring a significant number of scattered x-rays which impact its surface. The CCD is capable of detecting the position of impact of the scattered x-ray on the surface of the CCD and the quantity of scattered x-rays which impact the same cell or pixel. This data is then processed in real-time and the processed data is outputted to produce an image of the structure of the crystal. If this crystal is a protein the molecular structure of the protein can be determined from the data received.

Atac, Muzaffer; McKay, Timothy

1997-12-01T23:59:59.000Z

124

SIBYLS - A SAXS and protein crystallography beamline at the ALS  

E-Print Network (OSTI)

Beamline at the ALS C.Trame*, A.A.MacDowell*, R.S.Celestre*,recently installed at the ALS that allows for a hard x-rayAdvanced Light Source (ALS) ring (1.9 GeV). The beamline is

2003-01-01T23:59:59.000Z

125

Workshop: New Advances in Crystallography with Synchrotrons and...  

NLE Websites -- All DOE Office Websites (Extended Search)

with Synchrotrons and X-FELs Tuesday, October 25, 2011 - 8:00am 2011 SSRLLCLS Annual Users Conference This workshop, part of the 2011 SSRLLCLS Annual Users...

126

Morphology and Crystallography of Annealing Twins in Austenite  

Science Conference Proceedings (OSTI)

P1-04: 3D Microstructural Characterization of Uranium Oxide as a Surrogate Nuclear ... P1-15: Gating System Optimisation Design Study of a Cast Automobile ... P2-27: Characterization of Carbonate Rocks through X-ray Microtomography.

127

Texture, Crystallography, and Deformation Effects in Titanium Alloys  

Science Conference Proceedings (OSTI)

Oct 9, 2012... and specially textured beta grains that form under certain conditions ... distribution after compression in the alpha + beta phase field in a set...

128

www.global.unam.mx www.unam.mx UNAM offers undergraduate and graduate studies more than any other institution in Mexico  

E-Print Network (OSTI)

of Science and Humanities; 99 undergraduate programs in its different schools; 40 graduate programs and 33 systematically in order to adjust to the current demand in the global labor market. · Actuarial Science · Applied Mathematics and Computer Science · Architecture · Computer Science · Earth Sciences · Environmental Sciences

Petriu, Emil M.

129

Modeling discharge requirements for deep geothermal wells at the Cerro Prieto geothermal field, MX  

DOE Green Energy (OSTI)

During the mid-l980's, Comision Federal de Electricidad (CFE) drilled a number of deep wells (M-200 series) at the Cerro Prieto geothermal field, Baja California, Mexico to investigate the continuation of the geothermal reservoir to the east of the Cerro Prieto-II and III production areas. The wells encountered permeability at depths ranging from 2,800 to 4,400 m but due to the reservoir depth and the relatively cold temperatures encountered in the upper 1,000 to 2,000 m of the wells, it was not possible to discharge some of the wells. The wells at Cerro Prieto are generally discharged by injecting compressed air below the water level using 2-3/8-inch tubing installed with either a crane or workover rig. The objective of this technique is to lift sufficient water out of the well to stimulate flow from the reservoir into the wellbore. However, in the case of the M-200 series wells, the temperatures in the upper 1,000 to 2,000 m are generally below 50 C and the heat loss to the formation is therefore significant. The impact of heat loss on the stimulation process was evaluated using both a numerical model of the reservoir/wellbore system and steady-state wellbore modeling. The results from the study indicate that if a flow rate of at least 300 liters/minute can be sustained, the well can probably be successfully stimulated. This is consistent with the flow rates obtained during the successful stimulations of wells M-202 and M-203. If the flow rate is closer to 60 liters/minute, the heat loss is significant and it is unlikely that the well can be successfully discharged. These results are consistent with the unsuccessful discharge attempts in wells M-201 and M-205.

Menzies, Anthony J.; Granados, Eduardo E.; Puente, Hector Gutierrez; Pierres, Luis Ortega

1995-01-26T23:59:59.000Z

130

M.X. {ynarnAHrl 510 }nbrJrgbrrbrna "Vf AYIATH OKYJTAPbI"  

E-Print Network (OSTI)

and process water for five fuel pathways: bioethanol from corn, ethanol from cellulosic feedstocks, gasoline of feedstock, soil and climactic condition and production technology for bioethanol; and by age of oil well and achieve sustainable bioethanol and gasoline production. Specifically: Improved water management is needed

131

The use of fluid geochemistry to indicate reservoir processes at Cerro Prieto, MX  

DOE Green Energy (OSTI)

Regular chemical sampling and analysis of fluids produced from the hot-water geothermal system of Cerro Prieto, Mexico has provided early warning of reservoir processes. The changes in chloride concentration, sodium to potassium ratio and measured fluid enthalpy are shown in the figures for wells M-5, M-26, M-21A, and M-11 of the Cerro Prieto field. The concentration of chloride, a ''conservative'' constituent, is characteristic of different water masses and is affected by a change of water source, by mixing of waters and by boiling and steam loss but not by reaction with rock minerals. The ratio of sodium to potassium is a temperature-sensitive geothermal index resulting from rock-water reaction and is not affected by boiling and steam loss or by mixing of water masses provided these processes occur at constant temperature. The enthalpy is related to the fluid temperature and to boiling in the aquifer with ''excess'' steam entering the well. These indices provide a reasonably complete picture of major reservoir processes occurring in hot water system. Silica analyses have not been reliable from Cerro Prieto but should be used in addition to Na/K as a temperature indicator. Analysis of fluids from a producing geothermal field must of course include other constituents for study of environmental effects, scaling, corrosion, etc.

Truesdell, Alfred H.

1978-01-01T23:59:59.000Z

132

Chip-scale atomic magnetometer with improved sensitivity by use of the Mx technique  

E-Print Network (OSTI)

magnetometers could be used more readily than conventional devices in unmanned aerial surveys4 or space, National Institute of Standards and Technology, Boulder, Colorado 80305 Li-Anne Liew Electromagnetics Division, National Institute of Standards and Technology, Boulder, Colorado 80305 Received 15 September

Bentz, Dale P.

133

Hydrogen Storage Performances of Mg20Ni10-xMx (M=Cu, Co, Mn ...  

Science Conference Proceedings (OSTI)

About this Abstract. Meeting, The 8th Pacific Rim International Congress on Advanced Materials and Processing. Symposium, H. Rare Earth, Electronic, and ...

134

NSLS II: Life Sciences  

NLE Websites -- All DOE Office Websites (Extended Search)

Structure and Dynamics in Solutions and Membranes Structure and Dynamics in Solutions and Membranes Overview Macromolecular crystallography has been enormously successful in elucidating the structures of proteins and other biomolecules. These data are being combined with emerging genetic and biochemical information on pathways to suggest temporal, spatial, and functional relations controlling cellular function. However, the central question in biophysics still remains: What is the connection between the structure and function of biological macromolecules such as proteins, DNA, RNA, polysaccharides, and their complexes? Answering this question requires understanding the dynamics of macromolecular structures in their natural environment, where flexibility of the molecules and water, pH, and ion concentration play determinant roles. Examples include protein and nucleic acid folding and unfolding, polymer collapse upon change of solvent, electron transfer, and large-scale fluctuations in macromolecules.

135

APS User News-at-a-Glance, Issue 48  

NLE Websites -- All DOE Office Websites (Extended Search)

8, August 12, 2008 8, August 12, 2008 CONTENTS MESSAGE FROM MURRAY SCIENCE NEWS 1. First Light Successfully Delivered to New Coherent X-ray Diffraction Microscope at 2-ID-B USER MATTERS 2. Renewal Plan Update: Timeline, Web Resources, and Ways You Can Participate FACILITY NEWS 3. APS Holds First Geological, Environmental, and Planetary Science Cross-cut Review 4. September 17 PUC and APSUO Steering Committee Meetings Focus on Renewal 5. Emergency Supplemental Funding Enables a Regular Schedule for 2008-3 Run PEOPLE NEWS 6. Gabrielle Long Steps Down as Division Director of XSD BRIEFLY NOTED --DOE Light Sources Coordinate Workshop Scheduling --BioCARS Hosts Workshop on Time-resolved Macromolecular Crystallography, November 20-22, 2008 --ChemMatCARS Hosts Workshop on Advanced Crystallography, December 3-5,

136

Microsoft Word - Final APSxcutreviewReport_SubmittedMay27th2007.doc  

NLE Websites -- All DOE Office Websites (Extended Search)

Final; 5/14-25/07 Final; 5/14-25/07 Final Report Cross Cut Review of Research in Structural Biology Advanced Photon Source January 24, 2007 Review Committee: J. R. Helliwell, University of Manchester, UK, APS SAC; Chair Howard Einspahr, Research Fellow, Bristol Myers Squibb (Retired), APS SAC Sine Larsen, European Synchrotron Radiation Facility, External Reviewer Douglas Ohlendorf, University of Minnesota, External Reviewer Wei Yang, NIH, Bethesda, APS SAC Introduction: The reviewers met at the Advanced Photon Source (APS) on January 24, 2007, together with the APS Scientific Advisory Committee (SAC), which has a cross-disciplinary membership, to review structural biology science at the APS. The primary emphasis of the review was macromolecular crystallography (also known as protein crystallography or PX). Appendixes A and B contain the

137

Microsoft Word - 2007 Cross Cut - APS response.doc  

NLE Websites -- All DOE Office Websites (Extended Search)

Cross Cut Review of Research in Structural Biology Cross Cut Review of Research in Structural Biology Advanced Photon Source January 24, 2007 Review Committee: J. R. Helliwell, University of Manchester, UK, APS SAC; Chair Howard Einspahr, Research Fellow, Bristol Myers Squibb (Retired), APS SAC Sine Larsen, European Synchrotron Radiation Facilities, External Reviewer Douglas Ohlendorf, University of Minnesota, External Reviewer Wei Yang, NIH, Bethesda, APS SAC Introduction: The reviewers met at the Advanced Photon Source (APS) on January 24, 2007, together with the APS Scientific Advisory Committee (SAC), which has a cross-disciplinary membership, to review structural biology science at the APS. The primary emphasis of the review was macromolecular crystallography (also known as protein crystallography

138

SSRL HEADLINES October 2009  

NLE Websites -- All DOE Office Websites (Extended Search)

4 October, 2009 4 October, 2009 __________________________________________________________________________ Contents of this Issue: Science Highlight - Researchers Visualize the Structural Intermediates of the Nickel-catalyzed Enzyme that Makes Methane SSRL User Operations Resume SSRL/LCLS Users' Meeting and Workshops Wrap-up Symposium Celebrates SSRL Pioneer SSRL Users' Organization Executive Committee Election Results Researchers Reconstruct Complete Protein Network Herman Winick Awarded Andrei Sakharov Prize for Upholding Human Rights Submit X-ray/VUV Beam Time Requests by November 15 Upcoming X-ray, VUV and Macromolecular Crystallography Proposal Deadline Former SSRL Colleague will be Missed Please Report SSRL-Related Papers, Invited Talks, and Awards __________________________________________________________________________

139

SSRL HEADLINES June 2011  

NLE Websites -- All DOE Office Websites (Extended Search)

2 June, 2011 2 June, 2011 __________________________________________________________________________ Contents of this Issue: From the Director of SSRL: Looking Ahead Science Highlight - Estimating Cr(VI) in Coal-Derived Fly-Ash Science Highlight - Staying One Step Ahead of Antibiotic Resistance Science Highlight - SSRL's Microfocus Macromolecular Crystallography Beam Line 12-2 First SSRL Pump-Probe Experiments Under Way SSRL X-rays Reveal Patterns in the Plumage of the First Birds Upcoming SSRL Events: Detectors, XRMS, 2011 Users' Conference Call for Nominations for Spicer and Klein Awards New SSRL Artwork Inspired by Science Talk User Administration Update Stig Hagström, Spectroscopy Pioneer, Dies at 78 In the News: Birds, Bacteria, SESAME __________________________________________________________________________

140

SSRL HEADLINES August 2009  

NLE Websites -- All DOE Office Websites (Extended Search)

2 August, 2009 2 August, 2009 __________________________________________________________________________ Contents of this Issue: Science Highlight - Riboswitch Crystal Structure May Lead to New Antibiotic Targets Science Highlight - Understanding Charge Transport in Plastic Electronics From the Acting Director of SSRL BL12-2 Microbeam Capability Established and Commissioned Register for the SSRL/LCLS Users' Conference - October 18-21, 2009 Users Needed to Serve on the SSRL and LCLS Users' Organization Executive Committees Abstracts for User Science Posters Due October 9 Please Report SSRL-Related Papers, Invited Talks, and Awards Recent Awards to Photon Science Faculty Ultrafast X-ray Summer School Held June 2009 Macromolecular Crystallography Beam Time Requests Due September 15

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


141

SSRL HEADLINES Feb 2007  

NLE Websites -- All DOE Office Websites (Extended Search)

8 February, 2007 8 February, 2007 __________________________________________________________________________ Contents of this Issue: Science Highlight - Five Images for the Price of One: Using X-ray Holography for Simultaneous Imaging Science Highlight - Using Microorganisms to Understand Hydrogen Catalysis Science Highlight - Ultrafast Bond Softening in Bismuth - a Femto-second Pump-probe SPPS Study XAS Course for Structural Molecular Biology Applications - March 13-16 SSRL Advisory Committees Convene in February John Zachara among Eight DOE Lawrence Award Winners SSRL Macromolecular Crystallography Remote Data Collection X-ray/VUV Beam Time Requests due by March 5 Photon Science Job Opportunities __________________________________________________________________________

142

Technology Transfer: Available Technologies  

NLE Websites -- All DOE Office Websites (Extended Search)

Software and Information Technologies Software and Information Technologies Algorithm for Correcting Detector Nonlinearites Chatelet: More Accurate Modeling for Oil, Gas or Geothermal Well Production Collective Memory Transfers for Multi-Core Processors Energy Efficiency Software EnergyPlus:Energy Simulation Software for Buildings Tools, Guides and Software to Support the Design and Operation of Energy Efficient Buildings Flexible Bandwidth Reservations for Data Transfer Genomic and Proteomic Software LABELIT - Software for Macromolecular Diffraction Data Processing PHENIX - Software for Computational Crystallography Vista/AVID: Visualization and Allignment Software for Comparative Genomics Geophysical Software Accurate Identification, Imaging, and Monitoring of Fluid Saturated Underground Reservoirs

143

SSRL HEADLINES May 2006  

NLE Websites -- All DOE Office Websites (Extended Search)

May, 2006 May, 2006 __________________________________________________________________________ Contents of this Issue: Science Highlight - Revealing the Structure of a Hereditary Disease New Information in the Fight against Drug-resistant Bacteria Beam Line 7 Gets a Makeover Electrical Safety Month across the DOE Complex DOE Officials Visit SLAC Spring SLAC Policy Committee Meeting Workshop on Small-Angle X-ray Scattering and Diffraction Studies in Structural Biology SSRL Remote Access Workshop to be Held in New York Wrap-up on First Annual Workshop on Synchrotron X-ray Scattering Techniques in Materials and Environmental Sciences Macromolecular Crystallography Proposals due July 1 Photon Science Job Opportunities __________________________________________________________________________

144

SSRL HEADLINES Oct 2006  

NLE Websites -- All DOE Office Websites (Extended Search)

4 October, 2006 4 October, 2006 __________________________________________________________________________ Contents of this Issue: Science Highlight - Uranium-Hungry Bacteria Lead to Safer Water Supply Science Highlight - Uranium Trapped in Bacteriogenic Manganese Oxide Tunnels Roger Kornberg Wins the 2006 Chemistry Nobel Prize Another Successful Users' Meeting SSRL Awards Honor Mike Soltis and Bill Schlotter SSRL Users' Organization Executive Committee Update Ground Breaking New Science NIH-NCRR Officials Visit SSRL SESAME to Open: Particle Accelerator Spurs Middle East Science Partnership Beam Time Requests for X-ray/VUV Beam Lines and Macromolecular Crystallography Proposals Due December 1 Photon Science Job Opportunities __________________________________________________________________________

145

Technology Transfer: Success Stories: Licensed Technologies  

NLE Websites -- All DOE Office Websites (Extended Search)

Licensed Technologies Licensed Technologies Here are some of our licensees and the technologies they are commercializing; see our Start-Up Company page for more of our technology licenses. Company (Licensee) Technology Life Technologies Corp. Cell lines for breast cancer research Bristol Myers Squibb; Novartis; Plexxikon Inc.; Wyeth Research; GlaxoSmithKline; Johnson & Johnson; Boehringer Ingelheim Pharmaceuticals, Inc.; Genzyme Software for automated macromolecular crystallography Shell International Exploration and Production; ConnocoPhillips Company; StatOil ASA; Schlumburger Technology Corportation; BHP Billiton Ltd.; Chevron Energy Technology Company; EniTecnologie S.p.A. Geo-Hydrophysical modeling software Microsoft Home Energy Saver software distribution Kalinex Colorimetric bioassay

146

SSRL HEADLINES Jun 2006  

NLE Websites -- All DOE Office Websites (Extended Search)

1 June, 2006 1 June, 2006 __________________________________________________________________________ Contents of this Issue: Science Highlight - Chemists Discover how Nature Makes Medicine Science Highlight - Protecting against DNA Invasion SPEAR3 Fast Orbit Feedback Milestone Achieved in June Register for SSRL Summer Workshops in the Structural Biology Sciences Call for Nominations for Klein, Spicer and Lytle Awards Stanford Board of Trustees Committee Visits SLAC Secretary of Energy Bodman Speaks to DOE Employees Summer Public Science Lectures at SLAC and Stanford University More SSRL News for a Wider Audience Macromolecular Crystallography Proposals due July 1 Photon Science Job Opportunities __________________________________________________________________________

147

SSRL HEADLINES Nov 2002  

NLE Websites -- All DOE Office Websites (Extended Search)

5 November, 2002 5 November, 2002 __________________________________________________________________________ Contents of This Issue: Science Highlight - Towards the Chemically Specific Structure of Amorphous Materials: Anomalous X-ray Scattering from a Molybdenum-Germanium Alloy U.S. Secretary of Energy Spencer Abraham Visits SLAC Critical Decision 1 Approval Moves LCLS Project Forward SLAC-DESY MOU Amped Up and Ready to Go! Organizational Changes in Macromolecular Crystallography Group User Research Administration Announcements 1. Science Highlight -Towards the Chemically Specific Structure of Amorphous Materials: Anomalous X-ray Scattering from a Molybdenum-Germanium Alloy (contacts: Hope Ishii, Sean Brennan, and Arthur Bienenstock) In a significant advance in the field of structural studies of amorphous

148

Crystal structure of THEP1 from the hyperthermophile Aquifex aeolicus: a variation of the RecA fold  

E-Print Network (OSTI)

-Likelihood Heavy-Atom Parameter Refinement in the MIR and MAD Methods. In Methods in Enzymology, Macromolecular Crystallography Volume 276. Edited by: Sweet RM, Carter CW. New York , Academic Press; 1997:472-494. 25. Abrahams JP, Leslie AWG: Methods used... by SOLOMON [25] and DM [26]. ARP/WARP was used to automatically build 85% of the backbone and sidechains [27]. For further model interpretation XFIT XtalView [28] was used. Refinements were made with Refmac [29]. PROCHECK [30] and What- check [31] were used...

Rossbach, Michael; Daumke, Oliver; Klinger, Claudia; Wittinghofer, Alfred; Kaufmann, Michael

2005-03-20T23:59:59.000Z

149

SSRL HEADLINES Aug 2006  

NLE Websites -- All DOE Office Websites (Extended Search)

2 August, 2006 2 August, 2006 __________________________________________________________________________ Contents of this Issue: Science Highlight - The Elusive Active Fold of a Catalytic RNA Call for Abstracts for SSRL33, October 12-13 Calling Interested Users to Serve on the SSRLUO Executive Committee Several Workshops Offered on October 11 Staff Director for the House Subcommittee on Energy Visits SLAC Ancient Science Revealed through X-ray Fluorescence Imaging Small-Angle X-ray Scattering and Diffraction Studies Workshop Wrap-up Remote Macromolecular Crystallography Data Collection SLAC Kids Day 2006 - the Biggest and Best Yet! Even Electrons Need a Vacation Hydrogen: Key to a Sustainable Future - Excerpts from SLAC Today Photon Science Job Opportunities __________________________________________________________________________

150

J. Mol. Biol. (1969) 46, 269-279 Refinement of Protein Conformations using a Macromolecular  

E-Print Network (OSTI)

'i-PLA-TRY-ILE-ALA-GLY4CIS-ALA-LEU CLY VAL LEU THR CIS LYS ASP GLU HIS TYR AL1 TRI ml NCAO X(C(C)C)AO NC(CC(C)C)AO NC(AOC

Levitt, Michael

151

Computing 1-D atomic densities in macromolecular simulations: the Density Profile Tool for VMD  

E-Print Network (OSTI)

Molecular dynamics simulations have a prominent role in biophysics and drug discovery due to the atomistic information they provide on the structure, energetics and dynamics of biomolecules. Specialized software packages are required to analyze simulated trajectories, either interactively or via scripts, to derive quantities of interest and provide insight for further experiments. This paper presents the Density Profile Tool, a package that enhances the Visual Molecular Dynamics environment with the ability to interactively compute and visualize 1-D projections of various density functions of molecular models. We describe how the plugin is used to perform computations both via a graphical interface and programmatically. Results are presented for realistic examples, all-atom bilayer models, showing how mass and electron densities readily provide measurements such as membrane thickness, location of structural elements, and how they compare to X-ray diffraction experiments.

Giorgino, Toni

2013-01-01T23:59:59.000Z

152

Responsive polymers for dynamic modulation of bio-macromolecular transport properties  

E-Print Network (OSTI)

Responsive self-assembling polymers are used in wide range of applications in the food, pharmaceutical, agricultural, electronic and environmental industries, as well as in the biomedical field. The proper design of such ...

Deshmukh, Smeet

2008-01-01T23:59:59.000Z

153

A stoichiometric model of Escherichia coli 's macromolecular synthesis machinery and its integration with metabolism  

E-Print Network (OSTI)

Glossary . . . . . . . . . . . . . . . . . . . . . . . .pylori. Chapter 10 Glossary Bibliome The collection of

Thiele, Ines

2009-01-01T23:59:59.000Z

154

Definition of Systematic, Approximately Separable and Modular Internal Coordinates (SASMIC) for macromolecular simulation  

E-Print Network (OSTI)

A set of rules is defined to systematically number the groups and the atoms of organic molecules and, particularly, of polypeptides in a modular manner. Supported by this numeration, a set of internal coordinates is defined. These coordinates (termed Systematic, Approximately Separable and Modular Internal Coordinates, SASMIC) are straightforwardly written in Z-matrix form and may be directly implemented in typical Quantum Chemistry packages. A number of Perl scripts that automatically generate the Z-matrix files for polypeptides are provided as supplementary material. The main difference with other Z-matrix-like coordinates normally used in the literature is that normal dihedral angles (``principal dihedrals'' in this work) are only used to fix the orientation of whole groups and a somewhat non-standard type of dihedrals, termed ``phase dihedrals'', are used to describe the covalent structure inside the groups. This physical approach allows to approximately separate soft and hard movements of the molecule using only topological information and to directly implement constraints. As an application, we use the coordinates defined and ab initio quantum mechanical calculations to assess the commonly assumed approximation of the free energy, obtained from ``integrating out'' the side chain degree of freedom chi, by the Potential Energy Surface (PES) in the protected dipeptide HCO-L-Ala-NH2. We also present a sub-box of the Hessian matrix in two different sets of coordinates to illustrate the approximate separation of soft and hard movements when the coordinates defined in this work are used.

Pablo Echenique; J. L. Alonso

2005-11-03T23:59:59.000Z

155

Late transition metal bimetallics for photocatalytic hydrogen production, M-X and C-H bond activation  

E-Print Network (OSTI)

Broadly defined this thesis has focused on the design and study of molecular catalysts that engender multi-electron reactions and photoreactions on small molecule substrates relevant to solar energy conversion. Specifically ...

Esswein, Arthur J

2007-01-01T23:59:59.000Z

156

John Pendry: His Contributions to the Development of LEED Surface Crystallography  

SciTech Connect

In this paper we discuss the pivotal role played by Sir John Pendry in the development of Low Energy Electron Diffraction (LEED) during the past three decades; the earliest understanding on the physics of LEED to the development of sophisticated methods for the structural solution of complex surfaces.

Somorjai, Gabor A.; Rous, P.J.

2007-10-15T23:59:59.000Z

157

Toby of XSD to Chair U.S. National Committee for Crystallography  

NLE Websites -- All DOE Office Websites (Extended Search)

letter from Richard E. Bissell, Executive Director of Policy and Global Affairs for the National Academies, notes that the USNCCr "promotes the advancement of the...

158

Integrated crystal mounting and alignment system for high-throughput biological crystallography  

DOE Patents (OSTI)

A method and apparatus for the transportation, remote and unattended mounting, and visual alignment and monitoring of protein crystals for synchrotron generated x-ray diffraction analysis. The protein samples are maintained at liquid nitrogen temperatures at all times: during shipment, before mounting, mounting, alignment, data acquisition and following removal. The samples must additionally be stably aligned to within a few microns at a point in space. The ability to accurately perform these tasks remotely and automatically leads to a significant increase in sample throughput and reliability for high-volume protein characterization efforts. Since the protein samples are placed in a shipping-compatible layered stack of sample cassettes each holding many samples, a large number of samples can be shipped in a single cryogenic shipping container.

Nordmeyer, Robert A. (San Leandro, CA); Snell, Gyorgy P. (Richmond, CA); Cornell, Earl W. (Antioch, CA); Kolbe, William F. (Moraga, CA); Yegian, Derek T. (Oakland, CA); Earnest, Thomas N. (Berkeley, CA); Jaklevich, Joseph M. (Lafayette, CA); Cork, Carl W. (Walnut Creek, CA); Santarsiero, Bernard D. (Chicago, IL); Stevens, Raymond C. (La Jolla, CA)

2007-09-25T23:59:59.000Z

159

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

E-Print Network (OSTI)

extensively on second-generation sources where the largerbrightness on third-generation sources requires slope errorsLight Source is a relatively low-energy, 3 rd generation

2004-01-01T23:59:59.000Z

160

Real-Time Observation of Cuprates Structural Dynamics by Ultrafast Electron Crystallography  

E-Print Network (OSTI)

The phonon-mediated attractive interaction between carriers leads to the Cooper pair formation in conventional superconductors. Despite decades of research, the glue holding Cooper pairs in high-temperature superconducting ...

Carbone, F.

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


161

Damage by X-rays: A Case Study for Metallo-Protein Crystallography  

NLE Websites -- All DOE Office Websites (Extended Search)

of California, Berkeley, CA, USA 3Max-Volmer-Laboratorium fr Biophysikalische Chemie, Technische Universitt, and 6 Institut fr Kristallographie, Freie Universitt,...

162

JGI - Why Sequence Alvinella pompejana?  

NLE Websites -- All DOE Office Websites (Extended Search)

Pompeii Worm? Pompeii Worm? Alvinella pompeiiana One of the most thermophilic eukaryotes, Alvinella pompejana, the Pompeii worm, is a resident of the Pacific deep-sea hydrothermal vent area. These worms reside on black smoker chimneys 2500 meters under the ocean surface where they experience (1) the highest temperatures and temperature gradients known for any eukaryote (20-80°C), (2) a toxic soup of heavy metals, and (3) very low pH. Thus their environment is perhaps the most extreme known for any eukaryote. This project unites cDNA sequencing, which is crucial for genetic and protein analysis, with macromolecular structure determination by x-ray crystallography, solution small-angle x-ray scattering, and electron microscopy. Proteins from thermophilic sources, currently limited to unicellular bacteria and archaea, have proven to be

163

SSRL SMB Program | Stanford Synchrotron Radiation Lightsource  

NLE Websites -- All DOE Office Websites (Extended Search)

SMB Program SMB Program SSRL Structural Molecular Biology program The SSRL Structural Molecular Biology program operates as a integrated resource and has three primary areas (or cores) of technological research and development and scientific focus: macromolecular crystallography (MC), x-ray absorption spectroscopy (XAS), and small angle x-ray scattering/diffraction (SAXS). Central to the core technological developments in all three of these areas is the development and utilization of improved detectors and instrumentation, especially to be able to take maximum advantage of the increasingly high brightness of SSRL's storage ring (SPEAR3). There is also research and development in new methods - in techniques and instrumentation development and deployment. Included is the use of enhanced computing and data

164

FY2008 SSRLUO Executive Committee  

NLE Websites -- All DOE Office Websites (Extended Search)

8 Executive Committee 8 Executive Committee corner corner Environmental Sciences Graduate Student LCLS Macromolecular Crystallography Materials Chemistry SSRL Liaison Biospectroscopy corner corner Joy Andrews California State University East Bay, Chemistry, 25800 Carlos Bee Blvd., Hayward, CA 94542 Professor in the Department of Chemistry and Biochemistry at California State University, East Bay, where she has taught since 1996. Her B.A. degree is in biochemistry from Barnard College, and Ph.D. in Biophysical Chemistry from UC Berkeley. Her research is on the detection, speciation and remediation of heavy metal contamination at various environmental sites, using atomic absorption spectroscopy, ion chromatography, and x-ray absorption spectroscopy. She is also conducting continuous monitoring of water quality parameters in SF Bay, funded by CICORE/NOAA. She was Chair, Executive Committee, Stanford Synchrotron Radiation Laboratory User's Organization Oct 2005-Oct 2006; and Chair, Synchrotron and Neutron User's Group Advocacy Committee since October 2005.

165

SSRL HEADLINES Jul 2002  

NLE Websites -- All DOE Office Websites (Extended Search)

1 July, 2002 1 July, 2002 __________________________________________________________________________ Contents of This Issue: Science Highlight - Plants with the Midas Touch: Formation of Gold Nanoparticles by Alfalfa Plants SPEAR3 Technical Progress on Track Summer Shutdown Projects Help Yourselves to Some Limelight 2002 Stanford-Berkeley Synchrotron Summer Schools a Success SSRL29 is Fast Approaching 2002 SPEAR Run Ends Very Successfully CANDLE Representative Visits SSRL Upcoming Events at SSRL and Elsewhere User Research Administration Announcements SMB Staff Scientist Position in Macromolecular Crystallography 1. Science Highlight - Plants with the Midas Touch: Formation of Gold Nanoparticles by Alfalfa Plants (contact: Jorge Gardea-Torresdey, jgardea@utep.edu) As the legend goes, King Midas could convert anything he touched to gold.

166

Report of The Structural Biology Subcommittee of The Biological and  

Office of Science (SC) Website

Report of The Structural Biology Subcommittee of The Report of The Structural Biology Subcommittee of The Biological and Environmental Research Advisory Committee Biological and Environmental Research Advisory Committee (BERAC) BERAC Home Meetings Members Charges/Reports Current BERAC Charges Archive of BERAC Reports Charter .pdf file (40KB) BER Committees of Visitors BER Home Charges/Reports Report of The Structural Biology Subcommittee of The Biological and Environmental Research Advisory Committee Print Text Size: A A A RSS Feeds FeedbackShare Page REPORT of the STRUCTURAL BIOLOGY SUBCOMMITTEE of the BIOLOGICAL AND ENVIRONMENTAL RESEARCH ADVISORY COMMITTEE In response to the charge letter of Dr. Martha Krebs, May 28, 1998 Executive Summary Structural biology and especially macromolecular crystallography are playing an increasingly important role in biological discoveries. In order

167

Berkeley Lab A to Z Index: M  

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Macintosh Computer Backups Macintosh Computer Backups Macintosh User Group (LBNL-MUG) Mac support/MPSG (formerly known as the workstation group) Macromolecular Crystallography Facility (MCF) Mailing Addresses for Lab Mail (electronic); Email Support, Documentation, etc. Mail Services (Facilities Dep't.) malware (computer virus) protection and "How to Handle Suspected Malware" Mammary: Human Mammary Epithelial Cell (HMEC) Map: Berkeley Lab Global Talent Map Maps: Directions and Maps on How to Get to the Lab Maps: Berkeley Lab Interactive Site Map Maps: Berkeley Lab Printable Site Map Maps: Offsite Lab Shuttle Bus Map Maps: Onsite Lab Shuttle Bus Map Massage, Onsite Chair Mass Storage System (MSS) Material Safety Data Sheets: MSDS Materials Sciences Division (MSD) Materials Science: Technology Transfer

168

Science Summary  

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03, 2008 03, 2008 » Links Scientific Highlight Tainer Website Scripps Press Release » Share this Article Laboratree Ologeez SciLink LabSpaces Role of Specific Protein Mutations in Causing Human Disease Revealed summary written by Brad Plummer, SLAC Communication Office Scientists are one step closer to understanding a piece of the machinery involved in DNA transcription and repair, thanks to work done in part at the SSRL macromolecular crystallography Beam Line 11-1. The team, led by The Scripps Research Institute researcher John Tainer, and colleagues worked out the structure of an important enzyme call XPD, a member of the helicase family of enzymes, found in all living organisms. The results were published in the May 2008 edition of the journal Cell. In eukaryotes, XPD is responsible for unwinding double-stranded DNA

169

NSLS II: The Future National Synchrotron Light Source | 2010 Beamline  

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2010 Beamline Development Proposals - Approved Proposals 2010 Beamline Development Proposals - Approved Proposals Proposal Results Announcement Acronym Title Spokesperson Type Information 4DE 4-Dimensional Studies in Extreme Environments Donald J. Weidner, Stony Brook University 1 Slide ABS A Highly Automated Instrument for Static X-ray Scattering Measurements of Biological Molecules in Solution Lin Yang, BNL 1 Slide AIM Advanced Infrared Microspectroscopy Lisa Miller, BNL 1 Slide AMX Flexible Access Macromolecular Crystallography at an Undulator Beamline Dieter Schneider, BNL 1 Slide | Proposal BMM Hard X-ray Absorption Spectroscopy and Diffraction - Beamline for Materials Measurements Daniel Fischer, NIST 2 Slide | Proposal CDI Coherent X-ray Diffraction Ian Robinson, University College London 1 Slide | Proposal

170

Microsoft Word - RNA_polymerase_Kornberg_04.doc  

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The Inner Workings of RNA Polymerase: How Genetic Information is Transcribed The research group of Professor Roger Kornberg of Stanford University has studied RNA polymerase II for more than 20 years. In 2000, his group solved the atomic-level structure of RNA polymerase, a macromolecular machine that transcribes genetic information, using crystallography diffraction data collected at SSRL [1]. The structure was featured on the cover of Science Magazine in the April 28, 2000 issue (Fig. 1). One year later, his group published the structure of polymerase in the act of transcription [2]. A key step in gene expression is the "transcription" of the DNA sequences comprising the genes into a message that can be read by the ribosome to produce protein. Transcription is

171

Microsoft Word - lois for 2011_v2.doc  

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Letters of Intent Letters of Intent 2011 Call for Beamline Development Proposals National Synchrotron Light Source II 1. High-energy x-ray micro-mapping of materials for advanced energy and structural engineering applications beamline (HEX) Spokesperson: Mark Croft, Rutgers University Source: Superconducting wiggler 2. Synchrotron-based discoveries for Chemical Biology (HIT) Marc Allaire, Brookhaven National Laboratory Undulator 3. NSLS-II Beamline for Combined High Magnetic Field and High Pressure Materials Studies (HMP) Trevor Tyson, New Jersey Institute of Technology Dipole wiggler 4. High-energy macromolecular crystallography (HMX) Vivian Stojanoff, Brookhaven National Laboratory 5. Monochromatic/White Beam X-ray Topography and High Resolution Diffraction Beamline at NSLS-II (HXT)

172

Contacts | ORNL Neutron Sciences  

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Science Points of Contact Science Points of Contact Name Research Area Doug Abernathy Wide Angular-Range Chopper Spectrometer (ARCS). Atomic-scale dynamics at thermal and epithermal energies Ke An Engineering Materials Diffractometer (VULCAN). Residual stress, deformation mechanism of materials, phase transitions/transformation, and in situ/operando neutron diffraction in material systems (e.g., working batteries). John Ankner Liquids Reflectometer (LR). Density profiles normal to the surface at liquid surfaces and liquid interfaces Bryan Chakoumakos Nuclear and magnetic crystal structure systematics and structure-property relationships among inorganic materials, powder and single-crystal neutron and x-ray diffraction methods Leighton Coates Macromolecular Neutron Diffractometer (MaNDi). Protein crystallography, biological structure and function

173

Science Summary  

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25, 2008 25, 2008 » Links Scientific Highlight Saphire Website Scripps Press Release Tracking Ebola, Scripps At the Forefront » Share this Article Laboratree Ologeez SciLink LabSpaces Revealing a Structural Weakness of the Deadly Ebolavirus summary written by Brad Plummer, SLAC Communication Office Scientists are one step closer to conquering the deadly Ebolavirus, thanks to research conducted at SSRL structural biology Beam Lines 9-2 and 11-1 and ALS Beam Line 5.02 by a team of researchers led by Erica Ollmann Saphire from The Scripps Research Institute. The results were published in the July 10 edition of the journal Nature. Using macromolecular crystallography techniques, the team solved the structure of a protein on the Ebolavirus's surface, called glycoprotein GP,

174

Performance characteristics needed for protein crystal diffraction x-ray detectors.  

Science Conference Proceedings (OSTI)

During the 1990's, macromolecular crystallography became progressively more dependent on synchrotrons X-ray sources for diffraction data collection. Detectors of this diffraction data at synchrotrons beamlines have evolved over the decade, from film to image phosphor plates, and then to CCD systems. These changes have been driven by the data quality and quantity improvements each newer detector technology provided. The improvements have been significant. It is likely that newer detector technologies will be adopted at synchrotron beamlines for crystallographic diffraction data collection in the future, but these technologies will have to compete with existing CCD detector systems which are already excellent and are getting incrementally better in terms of size, speed, efficiency, and resolving power. Detector development for this application at synchrotrons must concentrate on making systems which are bigger and faster than CCDs and which can capture weak data more efficiently. And there is a need for excellent detectors which are less expensive than CCD systems.

Westbrook, E. M.

1999-09-21T23:59:59.000Z

175

2010 Diffraction Methods in Structural Biology  

Science Conference Proceedings (OSTI)

Advances in basic methodologies have played a major role in the dramatic progress in macromolecular crystallography over the past decade, both in terms of overall productivity and in the increasing complexity of the systems being successfully tackled. The 2010 Gordon Research Conference on Diffraction Methods in Structural Biology will, as in the past, focus on the most recent developments in methodology, covering all aspects of the process from crystallization to model building and refinement, complemented by examples of structural highlights and complementary methods. Extensive discussion will be encouraged and it is hoped that all attendees will participate by giving oral or poster presentations, the latter using the excellent poster display area available at Bates College. The relatively small size and informal atmosphere of the meeting provides an excellent opportunity for all participants, especially younger scientists, to meet and exchange ideas with leading methods developers.

Dr. Ana Gonzalez Phone:650-926-8682

2011-03-10T23:59:59.000Z

176

APS User News-at-a-Glance, Issue 32  

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2: June 29, 2005 2: June 29, 2005 Contents 1. Message from Murray: XOR Tactical Plan Evolves; Three Upgrades Chosen 2. Science Highlight: Sequence to Structure in DNA 3. New Technique Captures Submicrosecond Images Using White Beam; Work Garners Argonne Award 4. Operating Mode Changes Decided for Summer Run 5. Proposal Deadlines Approaching: July 15 6. Crystallographic Exposure: APS at ACA 7. Four Elected to APS Users Organization Steering Committee 8. 2005 Users Meeting: A Rich Sampling of Science Past, Present, and Future --Briefly Noted subscribe to News Flash from lightsources.org meeting notice: neutron macromolecular crystallography at SNS, July 12-13 meeting notice: surface and interface characterization at APS, Sept. 8-9 meeting notice: Synchrotron Environmental Science III at Brookhaven,

177

APS Colloquium 2001  

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1 1 The monthly APS Colloquium series is intended for the benefit of the Advanced Photon Source community as well as the Argonne community by bringing distinguished scientists in all disciplines to lecture on topics of general interest. Objectives include the cross-fertilization of research initiatives at various institutions and the identification of possible uses of the Advanced Photon Source. The lecturer is also invited to spend an additional day visiting with scientists at Argonne. LIGO and the Search for Gravitational Waves (Dec. 5) Barry Barish, California Institute of Technology (pdf) Chirped Hard X-ray Pulses and the Frontiers of Ultrafast, Time-Resolved, Macromolecular Crystallography (Nov. 7) Keith Moffat, The University of Chicago (pdf) Proteins Connect Biology, Chemistry, and Physics (Oct. 3)

178

Proposal Submittal and Scheduling Procedures for Research | Stanford  

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Proposal Submittal and Scheduling Procedures for Research Proposal Submittal and Scheduling Procedures for Research New Proposals Standard GU Proposals Instructions for New Standard Proposals (Not LOI or Rapid Access) Tips for How to Wow Rapid Access Letter of Intent (LOI) Proposal Extension Requests X-ray/VUV Macromolecular Crystallography Beam Time Allocation/Scheduling How to Request Beam Time SSRL Access Policy SSRL Schedules New Proposals SSRL operates as a dedicated synchrotron radiation source for approximately nine months per year (usually from early November through early August). Submitting a proposal is the first step to access beam time at SSRL. SSRL scientists are available to help answer questions about the accelerator (SPEAR3), beam lines, capabilities, science or techniques to help users plan their experiments and their SSRL proposals.

179

Au/MxOy/TiO2 catalysts for CO oxidation: promotional effect of main-group, transition, and rare-earth metal oxide additives.  

SciTech Connect

Au/TiO2 catalysts are active for CO oxidation, but they suffer from high-temperature sintering of the gold particles, and few attempts have been made to promote or stabilize Au/TiO2. Our recent communication addressed these issues by loading gold onto Al2O3/TiO2 prepared via surface-sol-gel processing of Al(sec-OC4H9)3 on TiO2. In our current full paper, Au/Al2O3/TiO2 catalysts were prepared alternatively by thermal decomposition of Al(NO3)3 on TiO2 followed by loading gold, and the influences of the decomposition temperature and Al2O3 content were systematically surveyed. This facile method was subsequently extended to the preparation of a battery of metal oxide-modified Au/TiO2 catalysts virtually not reported. It was found that Au/TiO2 modified by CaO, NiO, ZnO, Ga2O3, Y2O3, ZrO2, La2O3, Pr2O3, Nd2O3, Sm2O3, Eu2O3, Gd2O3, Dy2O3, Ho2O3, Er2O3, or Yb2O3 could retain significant activity at ambient temperature even after aging in O2-He at 500 C, whereas unmodified Au/TiO2 lost its activity. Moreover, some 200 C-calcined promoted catalysts showed high activity even at about -100 C. The deactivation and regeneration of some of these new catalysts were studied. This work furnished novel catalysts for further fundamental and applied research.

Ma, Zhen [ORNL; Overbury, Steven {Steve} H [ORNL; Dai, Sheng [ORNL

2007-01-01T23:59:59.000Z

180

Nanostructure Control of Biologically Inspired Polymers  

E-Print Network (OSTI)

Sawamoto, M. Angewandte Chemie International Edition 2011,Gallot, B. Makromolekulare Chemie-Macromolecular ChemistryLYSINE). Makromolekulare Chemie-Macromolecular Chemistry and

Rosales, Adrianne

2013-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


181

Synthesis and applications of side chain-functionalized polylactic acid-based polymers and studies toward a chemical method to degrade Alzheimer's disease-related beta-amyloid peptides  

E-Print Network (OSTI)

Antibiotics. Angewandte Chemie-International Edition 1991,Makromolekulare Chemie-Macromolecular Chemistry and PhysicsGroups. Makromolekulare Chemie- Macromolecular Chemistry and

Rubinshtein, Mark

2011-01-01T23:59:59.000Z

182

Description and procedures for synchrotron radiation, small molecule, single crystal crystallography of plutonium complexes at ALS beamline 11.3.1  

E-Print Network (OSTI)

fits snugly into the brass pin and secured with wax. Thisbetween facilities. f) A close-up of the brass holding pin.The goniometer head with the brass holding post that mounts

Gorden, A.E.V.; Raymond, K.N.; Shuh, D.K.

2008-01-01T23:59:59.000Z

183

Technique Subgroupings Spectroscopy  

NLE Websites -- All DOE Office Websites (Extended Search)

and NSLS-II beamlines according to DOE Technique Scheme and NSLS-II beamlines according to DOE Technique Scheme Technique Subgroupings Spectroscopy 01 - Low Energy Spectroscopy Infrared Photoemission U12IR, U4IR / MET* U5UA, U13 / ESM 02 - Soft X-Ray Spectroscopy Soft X-ray Spectroscopy Tender XAS U4B, U7A, X24A / SST, SSS* X15B, X19A / TES* 03 - Hard X-ray Spectroscopy EXAFS X3A, X3B, X11A, X11B, X18A, X18B, X23A2 / ISS, BMM, QAS*, XAS* 04 - Optics/Calibration/Metrology U3C,X8A/ OFT,MID Scattering 05 X-ray Diffraction X-Ray Powder Diffraction Extreme Conditions Energy Dispersive Micro-Beam Diffraction X7B,X10B,X14A,X16C,X17A / XPD,IXD* X17B2,X17B3,X17C / XPD, TEC*, 4DE* X17B1, X17B2 / NA X13B / MXD* 06 MX, footprinting Protein Crystallography X-ray footprinting X4A, X4C, X6A, X12B, X12C, X25, X29 / FMX, AMX, NYX;

184

Group Leader: Dieter Schneider Proposal Team: M. Allaire  

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Leader: Dieter Schneider Proposal Team: M. Allaire Leader: Dieter Schneider Proposal Team: M. Allaire 1 , L. Berman 1 , M. Chance 2 , W. Hendrickson 3 , A. Héroux 1 , J. Jakoncic 1 , Q. Liu 4 , A. Orville 1 , H. Robinson 1 , D. Schneider 1 , W. Shi 1 , A. Soares 1 , V. Stojanoff 1 , D. Stoner-Ma 1 , R. Sweet 1 1 Brookhaven National Laboratory, 2 Case Western Reserve Univ., 3 Columbia University, 4 New York Structural Biology Center FRONTIER MICROFOCUSING MACROMOLECULAR CRYSTALLOGRAPHY BEAMLINE (FMX) ADDITIONAL INFORMATION From: M .R. S awaya, S . Sambashivan, R . N elson, M .I. I vanova, S .A. Sievers, M .I. A postol, M.J. T hompson, M . B albirnie, J .J. Wiltzius, H .T. M cFarlane, A .O. M adsen, C . R iekel, a nd D . E isenberg. Atomic S tructures o f Amyloid C ross---ß S pines R eveal V aried Steric Z ippers. N ature 4 47, 4 53---7 ( 2007). Micro-focusing

185

FY2005 SSRLUO Executive Committee  

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5 Executive Committee 5 Executive Committee corner corner Environmental Sciences Graduate Student LCLS Macromolecular Crystallography Materials Chemistry SSRL Liaison Structural Molecular Biology corner corner Juana Acrivos CSU San Jose, Chemistry, 1 Washington Square, SanJose, CA 95192-0101 Juana Acrivos has done experiments at SSRL since 1978. She is a chemist at SJSU (Professor). Her students first work at SSRL (Alan Robertson, Kevin Hathaway) showed how metal (Rb and Ba) in ammonia solutions change valence from 0 (in metallic solutions) to ionic values as the dilution is increased. The dynamics of intercalation chemistry was investigated in the '80s for TaS2 exposed to N2H4 in the beam (John Reynolds, Stuart S P Parkin). Battery action was revealed by investigating the Se edge shifts in (C(graphite|Cx(H2SeO4)|Cx

186

UV LED lighting for automated crystal centring  

E-Print Network (OSTI)

A direct outcome of the exponential growth of macromolecular crystallography is the continuously increasing demand for synchrotron beam time, both from academic and industrial users. As more and more projects entail screening a profusion of sample crystals, fully automated procedures at every level of the experiments are being implemented at all synchrotron facilities. One of the major obstacles to achieving such automation lies in the sample recognition and centring in the X-ray beam. The capacity of UV light to specifically react with aromatic residues present in proteins or with DNA base pairs is at the basis of UV-assisted crystal centring. Although very efficient, a well known side effect of illuminating biological samples with strong UV sources is the damage induced on the irradiated samples. In the present study the effectiveness of a softer UV light for crystal centring by taking advantage of low-power light-emitting diode (LED) sources has been investigated. The use of UV LEDs represents a lowcost solution for crystal centring with high specificity.

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

2010-01-01T23:59:59.000Z

187

FY2006 SSRLUO Executive Committee  

NLE Websites -- All DOE Office Websites (Extended Search)

6 Executive Committee 6 Executive Committee corner corner Environmental Sciences Graduate Student LCLS Macromolecular Crystallography Materials Chemistry SSRL Liaison Biospectroscopy corner corner Juana Acrivos CSU San Jose, Chemistry, 1 Washington Square, SanJose, CA 95192-0101 Juana Acrivos has done experiments at SSRL since 1978. She is a chemist at SJSU (Professor). Her students first work at SSRL (Alan Robertson, Kevin Hathaway) showed how metal (Rb and Ba) in ammonia solutions change valence from 0 (in metallic solutions) to ionic values as the dilution is increased. The dynamics of intercalation chemistry was investigated in the '80s for TaS2 exposed to N2H4 in the beam (John Reynolds, Stuart S P Parkin). Battery action was revealed by investigating the Se edge shifts in (C(graphite|Cx(H2SeO4)|Cx

188

Microsoft Word - Report 1.doc  

NLE Websites -- All DOE Office Websites (Extended Search)

Mallik, Blake Ridge, Nankai Trough, Krishna-Godavari Basin, Cascadia Margin, Offshore Peru, Okushiri Ridge, Ulleung Basin, Orca Basin GoMx, Alaminos Canyon GoMx, Sea of Okhotsk,...

189

Contents  

E-Print Network (OSTI)

This glossary describes terms that are specific to HP NonStop SQL/MX. Product Version NonStop SQL/MX Releases 2.0 and 2.1

Hp Nonstop Sql/mx; Hp Nonstop

2005-01-01T23:59:59.000Z

190

Neutron Condensed Matter Science Staff Directory  

Science Conference Proceedings (OSTI)

Neutron Condensed Matter Science Staff Directory. Dr. Dan Neumann, Group Leader, 301-975-5252. ... Macromolecular and Microstructural Sciences. ...

2013-04-01T23:59:59.000Z

191

teaching and education Journal of Applied  

E-Print Network (OSTI)

RapiData: a practical course in macromolecular X-ray diffraction data measurement and structure solving at the NSLS

R. M. Sweet; A. Soares

2010-01-01T23:59:59.000Z

192

Mark Roll  

Science Conference Proceedings (OSTI)

... 2002-2009: University of Michigan. ... Education: Ph.D., Macromolecular Science and Engineering, University of Michigan, 2010. ...

2012-10-01T23:59:59.000Z

193

Occurrence of non-hydrolysable amides in the macromolecular constituent of Scenedesmus quadricauda cell wall as revealed by [sup 15]N NMR: Origin of n-alkylnitriles in pyrolysates of ultralaminai-containing kerogens  

Science Conference Proceedings (OSTI)

New structures, termed ultralaminae, were recently shown to occur in kerogens from numerous oil shales and source rocks. Morphological and chemical studies revealed that ultralaminae originate from the selective preservation of the non-hydrolysable biomacromolecules (algaenans) building up the thin outer walls of several Chlorophyceae (green microalgae) including the cosmopolitan general Scenedesmus and Chlorella. The chemical correlation between such algaenans and fossil ultralaminae was mainly based on the production, on pyrolysis, of nitrogen compounds, n-alkylnitriles, with specific distributions depending on the lacustrine of marine origin of the considered samples. In addition, these bio-and geopolymers were characterized by quite high N levels.

Derenne, S.; Largeau, C. (Ecole Nationale Superieure de Chimie de Paris (France)); Taulelle, F. (Univ. P. et M. Curie, Paris (France))

1993-02-01T23:59:59.000Z

194

Atomic-Level Characterization of the Activation Mechanism of SERCA by Calcium  

E-Print Network (OSTI)

-ray crystallography has proven to be a powerful tool in understanding the atomic structure of SERCA, this study

Thomas, David D.

195

radiation damage Journal of Synchrotron Radiation  

E-Print Network (OSTI)

Correlated single-crystal electronic absorption spectroscopy and X-ray crystallography at NSLS beamline X26-C

Grace Shea-mccarthy; Dieter K. Schneider; John M. Skinner; Michael J. Skinner; Deborah Stoner-ma; Robert M. Sweet

2010-01-01T23:59:59.000Z

196

Core-Shell Strain Structure of Zeolite Microcrystals  

Science Conference Proceedings (OSTI)

Study of Charge-Ordering in Manganites via Serial Femtosecond Crystallography XFEL Materials Imaging at the LCLS CXI Endstation...

197

Coherent Diffraction Imaging of Materials by Using an X-ray Free ...  

Science Conference Proceedings (OSTI)

Study of Charge-Ordering in Manganites via Serial Femtosecond Crystallography XFEL Materials Imaging at the LCLS CXI Endstation...

198

Nanoscale X-Ray Imaging - Programmaster.org  

Science Conference Proceedings (OSTI)

Study of Charge-Ordering in Manganites via Serial Femtosecond Crystallography XFEL Materials Imaging at the LCLS CXI Endstation...

199

On the Precipitation of ? Phase in Ni-Base Superalloy 718Plus  

Science Conference Proceedings (OSTI)

Study of Charge-Ordering in Manganites via Serial Femtosecond Crystallography XFEL Materials Imaging at the LCLS CXI Endstation...

200

Advanced Reconstruction Algorithms for Ptychography  

Science Conference Proceedings (OSTI)

Study of Charge-Ordering in Manganites via Serial Femtosecond Crystallography XFEL Materials Imaging at the LCLS CXI Endstation...

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


201

Diffractive Imaging at Large Fresnel Number and the Challenge of ...  

Science Conference Proceedings (OSTI)

Study of Charge-Ordering in Manganites via Serial Femtosecond Crystallography XFEL Materials Imaging at the LCLS CXI Endstation...

202

Applications of X-Ray Bragg Projections Ptychography  

Science Conference Proceedings (OSTI)

Study of Charge-Ordering in Manganites via Serial Femtosecond Crystallography XFEL Materials Imaging at the LCLS CXI Endstation...

203

Xu named Mineralogical Society of America Fellow  

NLE Websites -- All DOE Office Websites (Extended Search)

have contributed significantly to the advancement of mineralogy, crystallography, geochemistry, petrology or allied sciences and whose scientific contribution used mineralogical...

204

www.eia.gov  

U.S. Energy Information Administration (EIA)

martin product sales llc michigan petroleum tech mieco inc morgan stanley capital grp inc 455 india motiva enterprises llc port arthur mx petroleum ...

205

Alternative Fuels Data Center: Heavy-Duty Vehicle and Engine...  

Alternative Fuels and Advanced Vehicles Data Center (EERE)

86HE Application: Tractor Fuel Type: Hybrid - Diesel Electric Power Source(s): Paccar - MX-13 Hybrid System(s): Eaton - Diesel Electric Hybrid...

206

NETL F 451.1/1-1, Categorical Exclusion Designation Form  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Division 2012 1012012 - 9302015 Briggs White (Mx5437) Madison, WI Enhancement of SOFC Cathode Electrochemical Performance Using Multi-Phase Interfaces Recipient will conduct...

207

Sensitivity analysis in linear semi-infinite programming via partitions  

E-Print Network (OSTI)

... of Physics and Mathematics, UDLA, 72820 San Andrs Cholula, Puebla, Mex- ico. On leave from IMI-BAS, Sofia, Bulgaria. E-Mail: maxim.todorov@udlap.mx.

208

Wood-based diet and gut microXora of a galatheid crab associated ...  

Science Conference Proceedings (OSTI)

Bas basipodite, Cox cox- opodite, Endo endopodite, Exo exopodite, Inc incisor process, Md mandible, Mdp mandible pedipalp, Mx1 first maxilla, Mxp3 third.

209

Open and Emerging Control Problems in Tokamak Plasma Control (A26064)  

E-Print Network (OSTI)

Proc. Of 47th IEEE Conf. On Decision And Control, Cancun, Mexico, 200847th IEEE Conference on Decision and Control Cancun, MX, 2008999614735

Walker, M.L.

2008-08-13T23:59:59.000Z

210

Modelling of friction stir welding  

E-Print Network (OSTI)

manufactured: the plain 'Trivex' and the threaded 'MX-Trivex'. These were tested against a conventional 'MX-Triflute' tool with the results showing that the traversing force was reduced by 18-25%. Chapter 6 describes 3 dimensional models of the 'Trivex...

Colegrove, Paul Andrew

211

SSRL HEADLINES November 2009  

NLE Websites -- All DOE Office Websites (Extended Search)

Line 12-2 Reveals how Macromolecular Structural Distortions Impact Function Stanford-led Research Helps Overcome Barrier for Organic Electronics Nobel Laureate Did Landmark...

212

SSRL Science | Stanford Synchrotron Radiation Lightsource  

NLE Websites -- All DOE Office Websites (Extended Search)

Science SSRL Science Visit our Science Highlights Archive and list of User and Staff Publications for examples of SSRL user research. Accelerator Physics Macromolecular...

213

Nanotechnology - TMS  

Science Conference Proceedings (OSTI)

Sep 20, 2006 ... Research and nanotechnology development at the atomlc, molecular or macromolecular levels, In the length scale of 1 100 nanometer...

214

Molecular mechanisms of kinetochore microtubule attachment  

E-Print Network (OSTI)

To ensure equal chromosome segregation during mitosis, the macromolecular kinetochore must remain attached to depolymerizing microtubules, which drive poleward chromosome movement. Microtubules are highly dynamic structures ...

Schmidt, Jens C. (Jens Christopher)

2012-01-01T23:59:59.000Z

215

National synchrotron light source. Activity report, October 1, 1995--September 30, 1996  

Science Conference Proceedings (OSTI)

The hard work done by the synchrotron radiation community, in collaboration with all those using large-scale central facilities during 1995, paid off in FY 1996 through the DOE`s Presidential Scientific Facilities Initiative. In comparison with the other DOE synchrotron radiation facilities, the National Synchrotron Light Source benefited least in operating budgets because it was unable to increase running time beyond 100%-nevertheless, the number of station hours was maintained. The major thrust at Brookhaven came from a 15% increase in budget which allowed the recruitment of seven staff in the beamlines support group and permitted a step increment in the funding of the extremely long list of upgrades; both to the sources and to the beamlines. During the December 1995 shutdown, the VUV Ring quadrant around U10-U12 was totally reconstructed. New front ends, enabling apertures up to 90 mrad on U10 and U12, were installed. During the year new PRTs were in formation for the infrared beamlines, encouraged by the investment the lab was able to commit from the initiative funds and by awards from the Scientific Facilities Initiative. A new PRT, specifically for small and wide angle x-ray scattering from polymers, will start work on X27C in FY 1997 and existing PRTs on X26C and X9B working on macromolecular crystallography will be joined by new members. Plans to replace aging radio frequency cavities by an improved design, originally a painfully slow six or eight year project, were brought forward so that the first pair of cavities (half of the project for the X-Ray Ring) will now be installed in FY 1997. Current upgrades to 350 mA initially and to 438 mA later in the X-Ray Ring were set aside due to lack of funds for the necessary thermally robust beryllium windows. The Scientific Facilities Initiative allowed purchase of all 34 windows in FY 1996 so that the power upgrade will be achieved in FY 1997.

Rothman, E.Z.; Hastings, J.B. [eds.

1997-05-01T23:59:59.000Z

216

Acta Crystallographica Section D Optimum solubility (OS) screening ...  

methane]; TCEP, tris(2-carboxyethyl) phos-phine. 2. Introduction Advances in X-ray crystallography have provided three-dimensional structures of

217

Sunday Program  

Science Conference Proceedings (OSTI)

Mar 9, 2008 ... The mainly inorganic subset of the Crystallography Open Database. (http:// nanocrystallography.research.pdx.edu/CIF-searchable/cod.php, with.

218

User Shipments | Stanford Synchrotron Radiation Lightsource  

NLE Websites -- All DOE Office Websites (Extended Search)

the Use Agreement, SSRL does not assume any liability for your equipment or materials. COD packages cannot be accepted. Shipping Crystallography Dewars to SSRL Users shipping...

219

SSRL Call for Proposals  

NLE Websites -- All DOE Office Websites (Extended Search)

Crystallography proposals are due April 1 and July 1 Due to the installation and commissioning of SPEAR3 (April 2003-January 2004), the schedule for proposal submissions has...

220

Determination of Zircaloy Liquidus and Solidus with an Instrumented ...  

Science Conference Proceedings (OSTI)

... of TIG Welded and Laser-surface Melted SUS 304 for Nuclear Power Plants ... Statistics of Grain Boundary Crystallography in Surrogates for Oxide Nuclear...

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


221

Enhancement of Intergranular Corrosion Resistance of TIG Welded ...  

Science Conference Proceedings (OSTI)

... of TIG Welded and Laser-surface Melted SUS 304 for Nuclear Power Plants ... Statistics of Grain Boundary Crystallography in Surrogates for Oxide Nuclear...

222

High Temperature Fracture Toughness of Thermally Aged Inconel 617  

Science Conference Proceedings (OSTI)

... of TIG Welded and Laser-surface Melted SUS 304 for Nuclear Power Plants ... Statistics of Grain Boundary Crystallography in Surrogates for Oxide Nuclear...

223

Mechanical Properties of Advanced NF616 Steel  

Science Conference Proceedings (OSTI)

... of TIG Welded and Laser-surface Melted SUS 304 for Nuclear Power Plants ... Statistics of Grain Boundary Crystallography in Surrogates for Oxide Nuclear...

224

X-ray imaging of biomolecules technology awarded $25 million  

NLE Websites -- All DOE Office Websites (Extended Search)

20th-century technique and revolutionize it further for the 21st century." While current techniques in crystallography provide almost 90 percent of what scientists know about...

225

APS User News, Issue 59  

NLE Websites -- All DOE Office Websites (Extended Search)

of protein crystallography and a special executive session with directors of biology CATs on strategic planning for the future of biological research at APS and how the upgrade...

226

SUNY beam line X3, National Synchrotron Light Source  

Science Conference Proceedings (OSTI)

This report discusses: beamline change and upgrades at NSLS; crystallography; surface structure; small angle scattering; EXAFS, glazing angle and fluorescence studies; and high temperature superconductors. (LSP).

Not Available

1991-01-01T23:59:59.000Z

227

An Automated Approach for Prior Austenite Grain Size Measurement ...  

Science Conference Proceedings (OSTI)

Since the approach relies on the crystallography of the phase transformation, it is independent of the ... 4-D Microstructural Characterization of Snow and Ice.

228

NREL: Energy Sciences - David Mulder  

NLE Websites -- All DOE Office Websites (Extended Search)

techniques and x-ray crystallography to characterize an intermediate form of green algae hydrogenase, which shed light on the mechanism of FeFe-hydrogenase activation along...

229

POWDER DIFFRACTION BEAMLINE FOR IN SITU STUDIES OF STRUCTURAL...  

NLE Websites -- All DOE Office Websites (Extended Search)

tunable x-ray energy from 5 to 25 keV. * Powder crystallography, including solving and refining crystal structures, quantitative analysis of phase fraction and sizestrain...

230

The Molecular Foundry  

NLE Websites -- All DOE Office Websites (Extended Search)

3D Structure Determination of Nano-sized Crystals by Electron Crystallography - New Methods and Applications Prof. Xiaodong Zou, Dept of Materials & Environmental Chemistry,...

231

ALSNews Vol. 305  

NLE Websites -- All DOE Office Websites (Extended Search)

Membranes Solving Structures with Collaborative Crystallography A User Support Building Tour This Month's Polls Announcements: Science Caf Friday 129 and Guest House Special...

232

Uncovering Allostery in a Uniquely Folded Metalloprotein /  

E-Print Network (OSTI)

crystallography experiments at SSRL: automated crystalbased MOdels in Gromacs SSRL Stanford Synchrotron Radiationwere shipped at 77K to SSRL in a SSRL supplied cassette

Baxter, Elizabeth Leigh

2013-01-01T23:59:59.000Z

233

SLAC National Accelerator Laboratory - New Program Broadens the...  

NLE Websites -- All DOE Office Websites (Extended Search)

New Program Broadens the Reach of LCLS Crystallography Experiments By Glenn Roberts Jr. July 17, 2013 A new screening program will allow researchers to quickly confirm whether...

234

Powder Diffraction with Proteins  

Science Conference Proceedings (OSTI)

... Sum up similar scans (typically chi2 statistic, CC also useful) ... TotalCrystallography Large software investment http://fable.sourceforge.net ...

2013-06-07T23:59:59.000Z

235

BioSAXS: Ways and Means to Study Structural Flexibility of Biological...  

NLE Websites -- All DOE Office Websites (Extended Search)

in Alzheimer's disease. In comparison to other structure determination methods, like NMR or X-ray crystallography, SAXS allows one to overcome size and experiment time...

236

SSRL 32nd Users' Meeting Oct 17 - 19, 2005  

NLE Websites -- All DOE Office Websites (Extended Search)

of structural biologists to complement higher resolution structures by crystallography, NMR and cryo-EM. The latest advances in X-ray solution scattering, fiber and membrane...

237

SAXS Workshop July 28-31, 2006  

NLE Websites -- All DOE Office Websites (Extended Search)

biologists to complement high resolution structural studies by crystallography and NMR. Following the highly successful workshop in last October, the SSRL SMB Bio-SAXSD team...

238

BNL | Robert M. Sweet  

NLE Websites -- All DOE Office Websites (Extended Search)

crystallography program at Brookhaven National Laboratory's National Synchrotron Light Source. Acta Cryst., D62(11):1336-1339 (2006). PubMed Full Text Shi W., Robinson H.,...

239

Neutron Scattering Conferences  

NLE Websites -- All DOE Office Websites (Extended Search)

8-12, 2013 International Workshop: Powder & Electron Crystallography Location Patras, Greece Contact Partha Pratim Das Email partha@upatras.gr URL http:crystallographypatras.wor...

240

Venkatraman Ramakrishnan, Thomas A. Steitz, Ada E. Yonath, and...  

Office of Scientific and Technical Information (OSTI)

to be successfully studied via x-ray crystallography. Researchers including Venkatraman R. Ramakrishnan from the University of Utah; the Medical Research Council Laboratory of...

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


241

Bioscience  

NLE Websites -- All DOE Office Websites (Extended Search)

diffraction). These fields provide complementary approaches to the study of living organisms from the molecular to the cellular levels. Crystallography is used to...

242

Hydro-mechanical behaviour of bentonite-based materials used for high-level radioactive waste disposal.  

E-Print Network (OSTI)

??This study deals with the hydro-mechanical behaviour of compacted bentonite-based materials used as sealing materials in high-level radioactive waste repositories. The pure MX80 bentontie, mixtures (more)

Wang, Qiong

2012-01-01T23:59:59.000Z

243

A PROBABILISTIC SEGMENTATION METHOD FOR IVUS Gerardo Mendizabal-Ruiz, Mariano Rivera and Ioannis A.  

E-Print Network (OSTI)

A PROBABILISTIC SEGMENTATION METHOD FOR IVUS IMAGES Gerardo Mendizabal-Ruiz, Mariano Rivera segmentation method for IVUS images Gerardo Mendizabal-Ruiz CIMAT egerardo@cimat.mx Mariano Rivera CIMAT

Rivera, Mariano

244

Optimizing Radial Basis Functions by D.C. Programming and its use ...  

E-Print Network (OSTI)

Oct 6, 2009 ... the use of derivative-free models based on radial basis functions .... known, one can use a radial basis functions (RBF) model of the form m(x) =.

245

Summary: Tenth DAE symposium on high energy physics - Springer  

Science Conference Proceedings (OSTI)

If the mass of Higgs boson is more than 500 GeV/c 2, one expects the electroweak sector to become strong in the TEV region. If mx < mz, H --~ bb would be the...

246

Building and Fire Publications  

Science Conference Proceedings (OSTI)

... of the flame, burning a mixture of Arabian light and Murban crude oils in a 2.7 ... in a 6 mx 6 m pan indicate a similar 0.14 of the crude oil is converted ...

247

Application to Export Electric Energy OE Docket No. EA-338-A...  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Energy OE Docket No. EA-338-A Shell Energy North America (US), L.P. Application from Shell Energy to export electric energy to Mexico. EA-338-A Shell Energy (MX).pdf More...

248

Alloy Design and Phase Stability Modeling  

Science Conference Proceedings (OSTI)

Oct 20, 2010... in MX Carbide/Nitride and the Z-Phase: A First Principles Approach: Michael Gao1; Chris Cowen1; Paul Jablonski1; Jeff Hawk1; 1NETL

249

Microsoft Word - Semi-Annual Report 41330R11 April 06 September...  

NLE Websites -- All DOE Office Websites (Extended Search)

Banik nbanik@slb.com 713 689-6064 Schlumberger 23 Efrain Mendez emendezh@pep.pemx.com PEMEX 24 Nestor Luna nluna@energia.gob.mx SENER 25 Robert Figueroa rfigueroaab@pep.pemex.com...

250

DOE/NRC F 740M | Department of Energy  

NLE Websites -- All DOE Office Websites (Extended Search)

0M DOENRC F 740M DOENRC Concise Note (Preprinted) DOE F 740-MX More Documents & Publications o:informsfixformsnrc740m.wpf DOENRC F 742 PHYSICAL INVENTORY LISTING...

251

EA-387 Energia Renovable S.C., LLC | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

7 Energia Renovable S.C., LLC EA-387 Energia Renovable S.C., LLC Order authorizing Energia Renovable to export electric energy to Mexico. EA-387 Energia Renovable (MX).pdf More...

252

STOCHASTIC VARIATIONAL INEQUALITIES: RESIDUAL ...  

E-Print Network (OSTI)

Feb 20, 2011 ... Yamashita and Fukushima [1] showed that the ERM-formulation using the regularized gap function is convex when F(?, x) = M?x + q? and. (1.6).

253

Case studies in DSM : utilizing the Design Structure Matrix to improve New Product Introduction  

E-Print Network (OSTI)

This thesis describes a project that applies the Design Structure Matrix (DSM) in support of the Manufacturing Excellence (MX) program at Cisco Systems, Inc to reduce the cycle time of new product development initiatives ...

Go, Julie W

2007-01-01T23:59:59.000Z

254

,"U.S. Natural Gas Pipeline Imports From Mexico (MMcf)"  

U.S. Energy Information Administration (EIA) Indexed Site

,,"(202) 586-8800",,,"12132013 3:53:53 PM" "Back to Contents","Data 1: U.S. Natural Gas Pipeline Imports From Mexico (MMcf)" "Sourcekey","N9102MX2" "Date","U.S. Natural Gas...

255

Assignment 6 - CECM  

E-Print Network (OSTI)

Additional exercises Note, Q = field of rational numbers, R = real numbers, ... m(x) in Q[x] for (i) alpha = sqrt(2)+sqrt(3)+sqrt(5) and (ii) beta = 1+2^(1/2)+2^(1/4).

256

Application to export electric energy OE Docket No. 314-A BP...  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

energy OE Docket No. 314-A BP Energy Application from BP Energy to export electric energy to Mexico. EA-314A BP EnergyMX.pdf More Documents & Publications Application to...

257

EA-294-B TexMex Energy, LLC | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Energy, LLC EA-294-B TexMex Energy, LLC Order authorizing TexMex to export electric energy to Mexico. EA-294-B TexMex MX.pdf More Documents & Publications Application to...

258

EA-338-A Shell Energy North America (US), L.P. | Department of...  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Shell Energy North America (US), L.P. Order authorizing Shell Energy to export electric energy to Mexico. EA-338-A Shell Energy (MX).pdf More Documents & Publications Application...

259

EA-336-A ConocoPhillips Company | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

EA-336-A ConocoPhillips Company Order authorizing ConocoPhillips to export electric energy to Mexico. EA-336-A ConocoPhillips (MX).pdf More Documents & Publications...

260

Application to Export Electric Energy OE Docket No. EA-294-B...  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Docket No. EA-294-B TexMex Energy LLC Application from TexMex Energy to export electric energy to Mexico. EA-294-B TexMex Energy (MX).pdf More Documents & Publications EA-294-B...

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


261

Fast VQ Codebook Search in KLT Space Wladyslaw Skarbek(a)3  

E-Print Network (OSTI)

by Jedrzejek, Cieplinski [8] (TCLP algorithm): from those codewords which have means in the interval [mx 0min with a uniform distri- bution, the most eective is TCLP algorithm while for image data source, EMV algorithm has

Vialatte, François

262

Theoretical Studies in Chemical Kinetics  

NLE Websites -- All DOE Office Websites (Extended Search)

Theoretical Studies in Chemical Kinetics ^ ^ iCi| Theoretical Studies in Chemical Kinetics ^ ^ iCi| under AEC Contract A T (30-1)-3780 " ■ ' Annual Report (1970) Principal In-vestigator: Martin Karpins Institution: Harvard University The research performed under this contract can best be sunmarized under several headings. (a) Alkali-Halideg Alkali-Halide (MX^ M*X*) Exchange Reactions. This project is being continued. A careful study of certain

263

99M-Technetium labeled tin colloid radiopharmaceuticals  

DOE Patents (OSTI)

An improved 99m-technetium labeled tin(II) colloid, size-stabilized for reticuloendothelial organ imaging without the use of macromolecular stabilizers and a packaged tin base reagent and an improved method for making it are disclosed.

Winchell, Harry S. (Lafayette, CA); Barak, Morton (Walnut Creek, CA); Van Fleet, III, Parmer (Walnut Creek, CA)

1976-07-06T23:59:59.000Z

264

Mapping the synapse : synthesis and validation of chemical probes for interrogating PDZ domains  

E-Print Network (OSTI)

Macromolecular protein complexes at neuronal synapses are critical for establishing synaptic plasticity, which is the basis of information storage in the brain. These complexes consist of many PDZ domain-containing proteins. ...

Iskenderian-Epps, Wendy S

2011-01-01T23:59:59.000Z

265

Three-Dimensional Polypeptide Architectures Through Tandem Catalysis and Click Chemistry  

E-Print Network (OSTI)

M. ; Hecht, S. Polymer Chemistry 2010, 1, 69-71. North, M. ;Schmidt, M. Macromolecular Chemistry and Physics 2005, 206,J. Journal of Organometallic Chemistry 1999, 589, 111-114.

Rhodes, Allison Jane

2013-01-01T23:59:59.000Z

266

Yoan C. Simon Department of Polymer Science and Engineering  

E-Print Network (OSTI)

Chemistry, Polymer Preprints 2005, 46(2), 771772. ACADEMIC SERVICES: Group NMR manager: Training of new: Light scattering, atomic force microscopy, thermogravimetric analysis, differential scanning ConsortiumNASA Award 2007 "Designed Macromolecular Assemblies for Biomedical Applications" Graduate Talk

Coughlin, E. Bryan

267

Molecular Engineering Approaches to Highly Structured Materials  

E-Print Network (OSTI)

Design and synthesis of novel supramolecular architectures is an interesting area of research in the last two decades. Intermolecular interactions assisted self-assembly of molecular and macromolecular building blocks play ...

Valiyaveettil, Suresh

268

Molecular Foundry  

NLE Websites -- All DOE Office Websites (Extended Search)

Organic and Macromolecular Synthesis Staff Frantisek Svec Frantisek Svec Facility Director fsvec@lbl.gov 510.486.7964 Brett Helms Brett Helms Staff Scientist BAHelms@lbl.gov...

269

Dr. Yuri B. Melnichenko | ORNL Neutron Sciences  

NLE Websites -- All DOE Office Websites (Extended Search)

Scientist: General-Purpose Small-Angle Neutron Scattering Spectrometer (CG-2GP-SANS), HFIR Senior Research Staff Education PhD in Polymer Physics, Institute for Macromolecular...

270

www.sbc.anl.gov  

NLE Websites -- All DOE Office Websites (Extended Search)

sbc.anl.gov The Structural Biology Center enables the atomic-scale study of macromolecular systems using very small crystal samples. It also offers the most efficient data...

271

Three-Dimensional Polypeptide Architectures Through Tandem Catalysis and Click Chemistry  

E-Print Network (OSTI)

Zeitschrift Fur Physiologische Chemie 1969, 350,1183-1189.Kricheld.Hr Makromolekulare Chemie-Macromolecular ChemistryT. Journal Fur Praktische Chemie-Leipzig 1930, 125, 211-218.

Rhodes, Allison Jane

2013-01-01T23:59:59.000Z

272

The semantic architecture of the World-Wide Molecular Matrix (WWMM)  

E-Print Network (OSTI)

DB and a small number of reaction identifiers in KEGG, con- fined to biological transformations. The CrystalEye col- lection does not have an identifier system yet although the Crystallography Open Database (COD)[48] does. There is no Open system for small... ://www.ebi.ac.uk/chembldb/], Accessed 2011-06- 14. 48. Crystallography Open Databas. COD [http://www.crystallography.net/], Accessed 2011-06-14. 49. Cambridge Crystallographic Data Centr. CCDC [http://www.ccdc.cam.ac. uk/], Accessed 2011-06-14. 50. OWL2 Web Ontology Language. [http...

Murray-Rust, Peter; Adams, Sam E; Downing, Jim; Townsend, Joe A; Zhang, Yong

2011-10-14T23:59:59.000Z

273

Next-Generation Photon Sources for Grand Challenges in Science and Energy  

Science Conference Proceedings (OSTI)

The next generation of sustainable energy technologies will revolve around transformational new materials and chemical processes that convert energy efficiently among photons, electrons, and chemical bonds. New materials that tap sunlight, store electricity, or make fuel from splitting water or recycling carbon dioxide will need to be much smarter and more functional than today's commodity-based energy materials. To control and catalyze chemical reactions or to convert a solar photon to an electron requires coordination of multiple steps, each carried out by customized materials and interfaces with designed nanoscale structures. Such advanced materials are not found in nature the way we find fossil fuels; they must be designed and fabricated to exacting standards, using principles revealed by basic science. Success in this endeavor requires probing, and ultimately controlling, the interactions among photons, electrons, and chemical bonds on their natural length and time scales. Control science - the application of knowledge at the frontier of science to control phenomena and create new functionality - realized through the next generation of ultraviolet and X-ray photon sources, has the potential to be transformational for the life sciences and information technology, as well as for sustainable energy. Current synchrotron-based light sources have revolutionized macromolecular crystallography. The insights thus obtained are largely in the domain of static structure. The opportunity is for next generation light sources to extend these insights to the control of dynamic phenomena through ultrafast pump-probe experiments, time-resolved coherent imaging, and high-resolution spectroscopic imaging. Similarly, control of spin and charge degrees of freedom in complex functional materials has the potential not only to reveal the fundamental mechanisms of high-temperature superconductivity, but also to lay the foundation for future generations of information science. This report identifies two aspects of energy science in which next-generation ultraviolet and X-ray light sources will have the deepest and broadest impact: (1) The temporal evolution of electrons, spins, atoms, and chemical reactions, down to the femtosecond time scale. (2) Spectroscopic and structural imaging of nano objects (or nanoscale regions of inhomogeneous materials) with nanometer spatial resolution and ultimate spectral resolution. The dual advances of temporal and spatial resolution promised by fourth-generation light sources ideally match the challenges of control science. Femtosecond time resolution has opened completely new territory where atomic motion can be followed in real time and electronic excitations and decay processes can be followed over time. Coherent imaging with short-wavelength radiation will make it possible to access the nanometer length scale, where intrinsic quantum behavior becomes dominant. Performing spectroscopy on individual nanometer-scale objects rather than on conglomerates will eliminate the blurring of the energy levels induced by particle size and shape distributions and reveal the energetics of single functional units. Energy resolution limited only by the uncertainty relation is enabled by these advances. Current storage-ring-based light sources and their incremental enhancements cannot meet the need for femtosecond time resolution, nanometer spatial resolution, intrinsic energy resolution, full coherence over energy ranges up to hard X-rays, and peak brilliance required to enable the new science outlined in this report. In fact, the new, unexplored territory is so expansive that no single currently imagined light source technology can fulfill the whole potential. Both technological and economic challenges require resolution as we move forward. For example, femtosecond time resolution and high peak brilliance are required for following chemical reactions in real time, but lower peak brilliance and high repetition rate are needed to avoid radiation damage in high-resolution spatial imaging and to avoid space-charge broadenin

None

2009-05-01T23:59:59.000Z

274

NSLS 2007 Activity Report (National Synchrotron Light Source Activity Report 2007)  

SciTech Connect

The National Synchrotron Light Source is one of the world's most productive and cost-effective user facilities. With 2,219 individual users, about 100 more than last year, and a record-high 985 publications, 2007 was no exception. In addition to producing an impressive array of science highlights, which are included in this Activity Report, many NSLS users were honored this year for their scientific accomplishments. Throughout the year, there were major strides in the development of the scientific programs by strengthening strategic partnerships with major research resources and with the Center for Functional Nanomaterials (CFN). Of particular note, the Consortium for Materials Properties Research in Earth Sciences (COMPRES) received renewed funding for the next five years through the National Science Foundation. COMPRES operates four high-pressure NSLS beamlines--X17B2, X17B3, X17C, and U2A--and serves the earth science community as well as the rapidly expanding segment of researchers using high-pressure techniques in materials, chemical, and energy-related sciences. A joint appointment was made between the NSLS and Stony Brook University to further enhance interactions with COMPRES. There was major progress on two key beamline projects outlined in the Five-Year Strategic Plan: the X25 beamline upgrade and the construction of the X9 small angle scattering (SAXS) beamline. The X25 overhaul, which began with the installation of the in-vacuum mini-gap undulator (MGU) in January 2006, is now complete. X25 is once again the brightest beamline for macromolecular crystallography at the NSLS, and in tandem with the X29 undulator beamline, it will keep the NSLS at the cutting edge in this important area of research. Upgrade work associated with the new MGU and the front end for the X9 SAXS beamline--jointly developed by the NSLS and the CFN--also was completed. Beamline X9 will host the SAXS program that currently exists at beamline X21 and will provide new microbeam SAXS capabilities and much-needed beam time for the life sciences, soft condensed matter physics, and nanoscience communities. Looking toward the future, a significant step has been made in expanding the user base and diversifying the work force by holding the first Historically Black Colleges and Universities (HBCU) Professors' Workshop. The workshop, which brought 11 professors to the NSLS to learn how to become successful synchrotron users, concluded with the formation of an HBCU User Consortium. Finally, significant contributions were made in optics and detector development to enhance the utilization of the NSLS and address the challenges of NSLS-II. In particular, x-ray detectors developed by the NSLS Detector Section have been adopted by an increasing number of research programs both at the NSLS and at light sources around the world, speeding up measurement times by orders of magnitude and making completely new experiments feasible. Significant advances in focusing and high-energy resolution optics have also been made this year.

Miller ,L.; Nasta, K.

2008-05-01T23:59:59.000Z

275

LCLS-II New Instruments Workshops Report  

DOE Green Energy (OSTI)

The LCLS-II New Instruments workshops chaired by Phil Heimann and Jerry Hastings were held on March 19-22, 2012 at the SLAC National Accelerator Laboratory. The goal of the workshops was to identify the most exciting science and corresponding parameters which will help define the LCLS-II instrumentation. This report gives a synopsis of the proposed investigations and an account of the workshop. Scientists from around the world have provided short descriptions of the scientific opportunities they envision at LCLS-II. The workshops focused on four broadly defined science areas: biology, materials sciences, chemistry and atomic, molecular and optical physics (AMO). Below we summarize the identified science opportunities in the four areas. The frontiers of structural biology lie in solving the structures of large macromolecular biological systems. Most large protein assemblies are inherently difficult to crystallize due to their numerous degrees of freedom. Serial femtosecond protein nanocrystallography, using the 'diffraction-before-destruction' approach to outrun radiation damage has been very successfully pioneered at LCLS and diffraction patterns were obtained from some of the smallest protein crystals ever. The combination of femtosecond x-ray pulses of high intensity and nanosized protein crystals avoids the radiation damage encountered by conventional x-ray crystallography with focused beams and opens the door for atomic structure determinations of the previously largely inaccessible class of membrane proteins that are notoriously difficult to crystallize. The obtained structures will allow the identification of key protein functions and help in understanding the origin and control of diseases. Three dimensional coherent x-ray imaging at somewhat lower resolution may be used for larger objects such as viruses. The chemistry research areas of primary focus are the predictive understanding of catalytic mechanisms, with particular emphasis on photo- and heterogeneous catalysis. Of particular interest is the efficient conversion of light to electrical or chemical energy, which requires understanding the non-adiabatic dynamics of electronic excited states. Ultrafast x-ray scattering presents an excellent opportunity to investigate structural dynamics of molecular systems with atomic resolution, and x-ray scattering and spectroscopy present an excellent opportunity to investigating the dynamics of the electronic charge distribution. Harnessing solar energy to generate fuels, either indirectly with photovoltaics and electrochemical catalysis or directly with photocatalysts, presents a critical technological challenge that will require the use of forefront scientific tools such as ultrafast x-rays. At the center of this technical challenge is the rational design of efficient and cost effective catalysts. Important materials science opportunities relate to information technology applications, in particular the transport and storage of information on increasingly smaller length- and faster time-scales. Of interest are the understanding of the intrinsic size limits associated with the storage of information bits and the speed limits of information or bit processing. Key questions revolve about how electronic charges and spins of materials can be manipulated by electric and magnetic fields. This requires the exploration of speed limits subject to the fundamental conservation laws of energy and linear and angular momentum and the different coupling of polar electric and axial magnetic fields to charge and spin. Of interest are novel composite materials, including molecular systems combining multi electric and magnetic functionality. Ultrafast x-rays offer the required probing speed, can probe either the charge or spin properties through polarization control and through scattering and spectroscopy cover the entire energy-time-momentum-distance phase space. In the field of atomic and molecular science, LCLS II promises to elucidate the fundamental interactions among electrons and between electrons and nuclei, and to explore the fron

Baradaran, Samira; Bergmann, Uwe; Durr, Herrmann; Gaffney, Kelley; Goldstein, Julia; Guehr, Markus; Hastings, Jerome; Heimann, Philip; Lee, Richard; Seibert, Marvin; Stohr, Joachim; /SLAC

2012-08-08T23:59:59.000Z

276

The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age  

E-Print Network (OSTI)

, some offering results which approach experimental accuracy. However, in contrast to other disciplines, such as crystallography, or bioinformatics, where standard formats and well-known, unified databases exist, this QC data is generally destined...

Adams, Sam; de Castro, Pablo; Echenique, Pablo; Estrada, Jorge; Hanwell, Marcus D; Murray-Rust, Peter; Sherwood, Paul; Thomas, Jens; Townsend, Joseph A

2011-07-04T23:59:59.000Z

277

title Brookhaven National Laboratory Photon Sciences eNews News...  

NLE Websites -- All DOE Office Websites (Extended Search)

Aminoff Prize in Crystallography to NSLS user Yigong Shi of Tsinghua University Beijing China description link http www bnl gov ps enews news php a amp t pr link guid http www...

278

Development of lanthanide-binding tags (LBTs) as powerful and versatile peptides for use in studies of proteins and protein interactions  

E-Print Network (OSTI)

To determine the function of proteins of interest, chemical biologists employ their full panoply of techniques, including X-ray crystallography and NMR spectroscopy for structural information, and luminescence spectroscopy ...

Martin, Langdon James

2008-01-01T23:59:59.000Z

279

Worked examples in the Geometry of Crystals  

E-Print Network (OSTI)

science. It is this aspect of crystallography which is the subject of this monograph. The monograph to the novice. The extended notation used throughout this text was introduced first by Mackenzie and Bowles; I

Cambridge, University of

280

Using computational grid capabilities to enhance the capability of an X-ray source for structural biology  

Science Conference Proceedings (OSTI)

The Advanced Photon Source at Argonne National Laboratory enables structural biologists to perform state-of-the-art crystallography diffraction experiments with high-intensity X-rays. The data gathered during such experiments is used to ...

Gregor von Laszewski; Mary L. Westbrook; Craig Barnes; Ian Foster; Edwin M. Westbrook

2000-07-01T23:59:59.000Z

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


281

SLAC National Accelerator Laboratory - New Tool Puts LCLS X-ray...  

NLE Websites -- All DOE Office Websites (Extended Search)

New Tool Puts LCLS X-ray Crystallography on a Diet By Glenn Roberts Jr. October 29, 2012 A tiny device invented at SLAC National Accelerator Laboratory will make it much easier for...

282

Distinguishing multiple chemotaxis Y protein conformations with laser-polarized 129Xe NMR  

E-Print Network (OSTI)

al. 1998. Crystallography & NMR system: A new software suiteand Pelton, J.G. 2000. NMR Structure of Activated CheY. J.hyperpolarized xenon-129 NMR. J. Am. Chem. Soc. 121: 9370

Lowery, Thomas J.; Doucleff, Michealeen; Ruiz, E. Janette; Rubin, Seth M.; Pines, Alexander; Wemmer, David E.

2005-01-01T23:59:59.000Z

283

Automated analysis and validation of open chemical data  

E-Print Network (OSTI)

Environment IETF Internet Engineering Task Force xvi InChI IUPAC International Chemical Identifier IUCr International Union of Crystallography IUPAC International Union of Pure and Applied Chemistry JAR Java Archive MIME Multipurpose Internet Mail Extension MM...

Day, Nicholas E

2009-01-13T23:59:59.000Z

284

Workbook Contents  

U.S. Energy Information Administration (EIA) Indexed Site

Mexico (MMcf)" Mexico (MMcf)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Liquefied U.S. Natural Gas Exports to Mexico (MMcf)",1,"Monthly","9/2013" ,"Release Date:","12/12/2013" ,"Next Release Date:","1/7/2014" ,"Excel File Name:","n9133mx2m.xls" ,"Available from Web Page:","http://tonto.eia.gov/dnav/ng/hist/n9133mx2m.htm" ,"Source:","Energy Information Administration" ,"For Help, Contact:","infoctr@eia.doe.gov" ,,"(202) 586-8800",,,"12/13/2013 2:23:29 PM"

285

,"Price of U.S. Natural Gas Pipeline Imports From Mexico (Dollars per Thousand Cubic Feet)"  

U.S. Energy Information Administration (EIA) Indexed Site

Mexico (Dollars per Thousand Cubic Feet)" Mexico (Dollars per Thousand Cubic Feet)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Price of U.S. Natural Gas Pipeline Imports From Mexico (Dollars per Thousand Cubic Feet)",1,"Monthly","9/2013" ,"Release Date:","12/12/2013" ,"Next Release Date:","1/7/2014" ,"Excel File Name:","n9102mx3m.xls" ,"Available from Web Page:","http://tonto.eia.gov/dnav/ng/hist/n9102mx3m.htm" ,"Source:","Energy Information Administration" ,"For Help, Contact:","infoctr@eia.doe.gov"

286

Workbook Contents  

U.S. Energy Information Administration (EIA) Indexed Site

Mexico (Dollars per Thousand Cubic Feet)" Mexico (Dollars per Thousand Cubic Feet)" ,"Click worksheet name or tab at bottom for data" ,"Worksheet Name","Description","# Of Series","Frequency","Latest Data for" ,"Data 1","Price of U.S. Natural Gas Pipeline Exports to Mexico (Dollars per Thousand Cubic Feet)",1,"Monthly","9/2013" ,"Release Date:","12/12/2013" ,"Next Release Date:","1/7/2014" ,"Excel File Name:","n9132mx3m.xls" ,"Available from Web Page:","http://tonto.eia.gov/dnav/ng/hist/n9132mx3m.htm" ,"Source:","Energy Information Administration" ,"For Help, Contact:","infoctr@eia.doe.gov"

287

Women @ Energy: Deanna Pickel | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Deanna Pickel Deanna Pickel Women @ Energy: Deanna Pickel March 28, 2013 - 10:07am Addthis Deanna Pickel is on the Research Staff of the Macromolecular Nanomaterials Group, at Oak Ridge National Laboratory’s Center for Nanophase Materials Sciences Division. Deanna Pickel is on the Research Staff of the Macromolecular Nanomaterials Group, at Oak Ridge National Laboratory's Center for Nanophase Materials Sciences Division. Check out other profiles in the Women @ Energy series and share your favorites on Pinterest. Deanna Pickel is on the Research Staff of the Macromolecular Nanomaterials Group, at Oak Ridge National Laboratory's Center for Nanophase Materials Sciences Division. She has held this position since 2007, working with users who come to their facilities for their instrumentation and expertise.

288

Molecular Dynamics Simulation of Macromolecules Using Graphics Processing Unit  

E-Print Network (OSTI)

Molecular dynamics (MD) simulation is a powerful computational tool to study the behavior of macromolecular systems. But many simulations of this field are limited in spatial or temporal scale by the available computational resource. In recent years, graphics processing unit (GPU) provides unprecedented computational power for scientific applications. Many MD algorithms suit with the multithread nature of GPU. In this paper, MD algorithms for macromolecular systems that run entirely on GPU are presented. Compared to the MD simulation with free software GROMACS on a single CPU core, our codes achieve about 10 times speed-up on a single GPU. For validation, we have performed MD simulations of polymer crystallization on GPU, and the results observed perfectly agree with computations on CPU. Therefore, our single GPU codes have already provided an inexpensive alternative for macromolecular simulations on traditional CPU clusters and they can also be used as a basis to develop parallel GPU programs to further speedup the computations.

Ji Xu; Ying Ren; Wei Ge; Xiang Yu; Xiaozhen Yang; Jinghai Li

2010-01-21T23:59:59.000Z

289

Visio-LHCONE VRF 2012-04-30.vsd  

NLE Websites -- All DOE Office Websites (Extended Search)

NORDUnet, NORDUnet, Copenhagen, Denmark NDGF T1: 109.105.124.0/22 NDGF AS39590 NDGF T1 NORDUNet MX480 NDGF AS39590 NDGF T1 NORDUNet MX480 VRF P2P VRF P2P Amsterdam, Netherlands GEANT LHCONE VRF xxxx ???, 1G V111 10/10G Milan T1600 Paris T1600 Madrid T640 Frankfurt T1600 xxxx DESY Hamb. GSI Darm. KIT Karl. RWTH Aach. xxxx DFN (Germany) DE-KIT, AS 34878: 192.108.45.0/24 192.108.46.0/23 xxxx LHC T1/2/3: xxxx GARR (Italy) CNAF-T1:131.154.128.0/17 INFN Napoli T2: 90.147.67.0/24 V111 10Gbps PIC 6500 V111 1G GEANT T1600 SARA (Netherlands) NL T1: ASGC M320 1/10G V111 20Gbps 10G to T1 1G -> 10G to T2s Geneva T1600 CERN VRF peering VLAN 111 to GEANT LHCONE VRF CERN VRF peering USLHCNet CoreDirector GEANT Alcatel MCC SURFNet xxxx 10G/10G 10G ACE V111 10/10G NORDUNet MX480 20G shared, NORDUnet 10G shared, NORDUnet to MAN LAN SARA MX960 NIKHEF

290

Naturwissenschaftlich-Technische Fakultt III Chemie, Pharmazie, Bio-und Werkstoffwissenschaften  

E-Print Network (OSTI)

Naturwissenschaftlich-Technische Fakultät III Chemie, Pharmazie, Bio- und Werkstoffwissenschaften Spannende Chemie-Vorträge für saarländische Schulen Professor / Fachgebiet Thema der Vorträge Prof. Dr. G. Kickelbick / Anorganische Chemie kickelbick@mx.uni-saarland.de Chemiker als Architekten für neue High

Mayberry, Marty

291

A LIDAR-based crop height measurement system for Miscanthus giganteus  

Science Conference Proceedings (OSTI)

The objective of this research was to develop a stem height measurement system for Miscanthus giganteus (MxG), to be used as a component in a future Look Ahead Yield Monitor (LAYM). For this purpose, a SICK(R) LMS 291 LIght Detection And Ranging (LIDAR) ... Keywords: Crop height, Crop sensor, Energy crop, Laser scanner, Plant phenotype, Yield monitor

Lei Zhang; Tony E. Grift

2012-07-01T23:59:59.000Z

292

A Kronecker product variant of the FACR method for solving the generalized Poisson equation  

Science Conference Proceedings (OSTI)

We present a fast direct method for the solution of a linear system Mx=y, where M is a block tridiagonal Toeplitzmatrix with A on the diagonal and T on the two subdiagonals (A and T commute). Such matrices are ... Keywords: FACR, Fourier analysis, KPCR, Kronecker product, Poisson equation, cyclic reduction, direct methods

Jef Hendrickx; Marc Van Barel

2002-03-01T23:59:59.000Z

293

1 4 7 7 3 2 4 5 7 3 1 2 4 8 F A X : 5 7 3 4 4 6 1  

E-Print Network (OSTI)

( ) 3 19 19 ( TEN) TEN 2011 2011 5000 3 19 ( ) #12;( ) ( ) ( ) #12;( ) EMBA11 3 20 TOYOTA 11 EMBA EMBA TOYOTA #12;1. 2. 3. 3 31 1. 3 26 2. 4 2 4 9 4 16 03-5715131 31369 03-5724872 kyhuang@mx.nthu.edu.tw 1. 4

Huang, Haimei

294

Cumulvs: Interacting with High-Performance Scientific Simulations, for Visualization, Steering and Fault Tolerance  

Science Conference Proceedings (OSTI)

High-performance computer simulations are an increasingly popular alternative or complement to physical experiments or prototypes. However, as these simulations grow more massive and complex, it becomes challenging to monitor and control their execution. ... Keywords: CCA, CUMULVS, ECho, Global Arrays, MPI, MxN, PVM, computational steering, fault tolerance, model coupling, visualization

James A. Kohl; Torsten Wilde; David E. Bernholdt

2006-05-01T23:59:59.000Z

295

TVRSJ Vol.11 No.1, 2006 5[0z05;I7c$K$h$k?(3P@8@.K!  

E-Print Network (OSTI)

$NJ--¡M05$rMQ$$$? $b$N[7] $H!$$=$NDs¡(JK!$OB?MM$G$"$k!% $=$NCf$G!$2f!9$O5[0z05$rMxMQ$7$??(46Ds¡($rDs0F $7$F

Shinoda, Hiroyuki

296

Yukawa Coupling Thresholds: Application to the MSSM and the Minimal Supersymmetric SU(5) GUT  

E-Print Network (OSTI)

We consider a particular class of threshold corrections to Yukawa couplings and mass relations in the MSSM and supersymmetric grand unified models. We give a complete treatment of Yukawa coupling thresholds at the unification scale $\\Mx$ and the effective supersymmetry scale $\\Ms$ and apply them to corrections to the tree-level prediction $y_b(\\Mx) = y_{\\tau}(\\Mx)$ in minimal supersymmetric SU(5). We apply both gauge and Yukawa coupling thresholds to gauge unification and the above Yukawa unification condition to find predictions for the top quark mass, $M_t$, the superheavy vector boson mass $\\Mv$ and the colored Higgs triplet mass $\\Mhs$. We discuss the dependencies of $\\Mx$ and $\\Mhs$ on $\\alpha_s(M_Z)$, $M_t$ and the sparticle spectrum as well as those of $M_t$ on $\\tan\\beta$, $\\alpha_s(M_Z)$ and the bottom quark mass, $M_b$. The effect of the Yukawa coupling thresholds on $M_t$ are given for representative sparticle spectra. We describe the quantitative differences between these effects for low and high $\\tan\\beta$. We also give new bounds on superheavy masses, incorporating proton decay as well as unification constraints, the former leading to a lower bound on $\\alpha_s$.

Brian D. Wright

1994-04-05T23:59:59.000Z

297

Ion-mediated RNA structural collapse: effect of spatial confinement  

E-Print Network (OSTI)

RNAs are negatively charged molecules residing in macromolecular crowding cellular environments. Macromolecular confinement can influence the ion effects in RNA folding. In this work, using the recently developed tightly bound ion model for ion fluctuation and correlation, we investigate the confinement effect on the ion-mediated RNA structural collapse for a simple model system. We found that, for both Na$^+$ and Mg$^{2+}$, ion efficiencies in mediating structural collapse/folding are significantly enhanced by the structural confinement. Such an enhancement in the ion efficiency is attributed to the decreased electrostatic free energy difference between the compact conformation ensemble and the (restricted) extended conformation ensemble due to the spatial restriction.

Tan, Zhi-Jie

2013-01-01T23:59:59.000Z

298

NDB Download  

NLE Websites -- All DOE Office Websites (Extended Search)

Download Data from FTP Server Download Data from FTP Server Dowload NDB ID to PDB ID mapping (tsv format) Coordinate Files na-biol. Coordinate files (PDB format) for one biological assembly of nucleic acid-containing structures determined by x-ray crystallography. na-deposited. Coordinate files (PDB format) for the asymmetric unit of nucleic acid-containing structures determined by x-ray crystallography. The chirality has been corrected for these structures. na-mmcif. Coordinate files (mmCIF format) for the asymmetric unit of nucleic acid-containing structures determined by x-ray crystallography in mmCIF format. na-nmr. Copies of the coordinate files released by the PDB for nucleic acid-containing structures determined by NMR. na-nmr-mmcif. Coordinate files (mmCIF format) for nucleic

299

Fifth Annual Meeting of the Advanced Light Source User`s Association  

SciTech Connect

This report discusses the following topics: ALS Project Status; Accelerator Commissioning; Experimental Systems: Supersmooth Optics and Ultra-Precise Undulators; Planning for Users and User Services; ALS Scientific Program; High Resolution Core-Level Photoemission; Photoelectron Diffraction and Holography; Soft X-Ray Emission Spectroscopy of Solids at the NSLS and the ALS; Gas-Phase Spectrometry; Spectromicroscopy; X-Ray Dichroism Experiments Using Circular Polarization; Magnetic Circular X-Ray Dichroism and MCXD Microscopy; Applications of Soft X-Ray Optics to Sub-Micron Silicon Device Technology; Bend Magnet Microprobe; Protein Crystallography: Recent Developments and Plans for the ALS; and Applications of High-Brightness Synchrotron Radiation to Protein Crystallography.

Not Available

1993-10-01T23:59:59.000Z

300

APPENDIX F: EMISSIONS OF NITROUS OXIDE AND METHANE FROM ALTERNATIVE FUELS FOR MOTOR  

E-Print Network (OSTI)

for Improving Efficiency and Versatility of Dye-Sensitized Solar Cells ... PM 307 (Convention Center ) Pisist The operation and efficiency of dye-sensitized solar cells (DSSCs) ... Macromolecular Crowding Effects by Supported Wox/SiO2 Catalysts ... Center ) Israel E. Wachs1, Soe Lwin1, Wu Zhou2, Chris K. Kiely3, Nikolaos

Delucchi, Mark

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


301

Discovery of protein substructures in EM maps  

Science Conference Proceedings (OSTI)

Cryo-EM has become an increasingly powerful technique for elucidating the structure, dynamics and function of large flexible macromolecule assemblies that cannot be determined at atomic-resolution. A major challenge in analyzing EM maps of complexes ... Keywords: 3D alignment of secondary structures, intermediate resolution cryo EM maps, macromolecular assemblies, structural bioinformatics

Keren Lasker; Oranit Dror; Ruth Nussinov; Haim Wolfson

2005-10-01T23:59:59.000Z

302

EMatch: Discovery of High Resolution Structural Homologues of Protein Domains in Intermediate Resolution Cryo-EM Maps  

Science Conference Proceedings (OSTI)

Cryo-EM has become an increasingly powerful technique for elucidating the structure, dynamics, and function of large flexible macromolecule assemblies that cannot be determined at atomic resolution. However, due to the relatively low resolution of cryo-EM ... Keywords: Structural bioinformatics, intermediate resolution cryo-EM maps, 3D alignment of secondary structures, macromolecular assemblies, cyclic symmetry.

Keren Lasker; Oranit Dror; Maxim Shatsky; Ruth Nussinov; Haim J. Wolfson

2007-01-01T23:59:59.000Z

303

The original publication is available at www.springerlink.com Statistical Thermodynamics via Computer Simulation to  

E-Print Network (OSTI)

and the two main options for the generation of a representative sample of configurations: molecular dynamics., Swaminathan, S., and Karplus, M. (1983) CHARMM: A program for macromolecular energy, minimization and dynamics of Surface Tension into Molecular Dynamics Simulation of an Interface. A Fluid Phase Lipid Bilayer Membrane

Mezei, Mihaly

304

Structural Evidence for a Dehydrated Intermediate in Green Fluorescent Protein Chromophore Biosynthesis*  

E-Print Network (OSTI)

-OvchinnikovInstituteofBioorganicChemistry,RussianAcademyofSciences,117997GSP,MoscowV-437,Russia, the ¶ Synchrotron Radiation Research Section, Macromolecular undergoes irreversible photoconversion to a green fluorescent state under UV light exposure. Here we present in the chemical structure of the internal chromophore group and in the stereochemistry of its adjacent environment.

Wlodawer, Alexander

305

Biochemical transformation of coals  

DOE Patents (OSTI)

A method of biochemically transforming macromolecular compounds found in solid carbonaceous materials, such as coal is provided. The preparation of new microorganisms, metabolically weaned through challenge growth processes to biochemically transform solid carbonaceous materials at extreme temperatures, pressures, pH, salt and toxic metal concentrations is also disclosed. 7 figs.

Lin, M.S.; Premuzic, E.T.

1999-03-23T23:59:59.000Z

306

High-Performance Three-Dimensional Image Reconstruction for Molecular Structure Determination  

Science Conference Proceedings (OSTI)

We describe an efficient parallel implementation of a reliable iterative reconstruction algorithm for estimating the three-dimensional (3D) density map of a macromolecular complex from a large number of two-dimensional (2D) cryo-electron microscopy (Cryo-EM) ... Keywords: 3D image reconstruction, Cryo-EM, parallel computing, regularization

Julianne Chung; Philip Sternberg; Chao Yang

2010-05-01T23:59:59.000Z

307

MULTI-SCIENCE PUBLISHING CO. LTD. 5 Wates Way, Brentwood, Essex CM15 9TB, United Kingdom  

E-Print Network (OSTI)

and biomass manage- ment approach: biochar agriculture for environmental management. 28.2 Terra Preta of large amounts of biochar (also called charcoal, biomass-derived black carbon or pyrogenic carbon) in ADE on the macromolecular composition derived from biochar (Solomon et al. 2007). The high stability of biochar has been

308

Undergraduate design or research project available: Sustainable Energy Cookstove Producing Biochar: Modeling and Optimization  

E-Print Network (OSTI)

and biomass manage- ment approach: biochar agriculture for environmental management. 28.2 Terra Preta of large amounts of biochar (also called charcoal, biomass-derived black carbon or pyrogenic carbon) in ADE on the macromolecular composition derived from biochar (Solomon et al. 2007). The high stability of biochar has been

Hui, Chung-Yuen

309

NATIONAL SYNCHROTRON LIGHT SOURCE ACTIVITY REPORT 2004  

Science Conference Proceedings (OSTI)

The NSLS remains a viable and productive facility, as can be seen by the rich and diverse science produced in 2004. In one of these exciting research projects published in Nature, researchers detected a rare 'hole crystal' in a cuprate superconductor, which may provide insight into high-temperature superconductivity. In another Nature publication, the crystal structure of a segment of RNA was determined, opening a new window of knowledge into that crucial molecule. These are just a couple of the science highlights of 2004, and many others are displayed in the pages of this report. All told, more than 700 publications resulted from NSLS research this year, the facility hosted 2,299 users, and the number of experiments performed rose from 1,145 in 2003 to 1,374 nuclear indications that the NSLS continues to thrive. As the NSLS accelerator complex enters its third decade of operations, it continues to perform very well. For 2004, the overall reliability of the VUV-IR ring was excellent at 99 percent. The reliability of the x-ray ring was just shy of 92 percent, primarily due to the need to replace the injection septum vacuum chamber, which developed a leak during the middle of the year. The Operations Division did a tremendous job of installing our spare chamber in minimal time, despite the complexity of the job and the inaccessibility of its location in the ring, as well as keeping downtime to a minimum throughout the rest of the year. In order to continue to meet the needs of users, several key beamline upgrades took place this year that will enrich our scientific programs, including upgrades to beamlines U12IR, X1A, X13A, and X21. We are very excited about two brand-new beamlines that were commissioned in 2004: X29 and X27A. X29 is the new mini-gap undulator beamline designed for macromolecular crystallography, and it will meet the growing demand of NSLS users who perform research in that area. The establishment of an x-ray microprobe at beamline X27A, optimized for the environmental science community, is also very important, as it will help to satisfy the large over subscription rate for this technique at the NSLS. Two other important upgrades that were initiated this past year are the replacement of the X25 wiggler with an undulator and the construction of the X9 undulator beamline for small-angle scattering, with an emphasis on nanoscience research. Another key activity that will benefit all users was the restoration of the x-ray ring lattice symmetry, which reduced the horizontal emittance and made the operational lattice more robust. Similarly, all users will benefit from the introduction of the PASS (Proposal Allocation Safety Scheduling) system this past year, which has greatly improved the process of proposal submission, review, allocation, and scheduling. This coming year we will work to add Rapid Access to the capabilities of PASS. Overall, the success of these and the many other projects that space does not permit listing is a testament to the dedication, hard work, and skill of the NSLS staff. Safety has always been an important issue at a large, complex scientific facility like the NSLS and in 2004 it received renewed attention. Safety is our highest priority and we spent a great deal of time reviewing and refining our safety practices and procedures. A new 'Safety Highlights' web page was created for safety news, and a large number of safety meetings and discussions were held. These reviews and meetings generated many ideas on how the NSLS might improve its safety practices, and we are committed to putting these in place and improving our already very good safety program. We had no lost-time accidents in 2004, which is a notable accomplishment. Our goal is to be best in class and I'm confident that by working together we can achieve that status. Several activities took place this past year to advance our proposal to replace the NSLS with a new National Synchrotron Light Source-II facility. These included a major workshop in support of the proposed facility in March, a mail review of our proposal outlinin

MILLER,L.; (EDITOR)

2005-05-01T23:59:59.000Z

310

Crystallographic attributes of a shape-memory alloy  

SciTech Connect

Shape-memory alloys are attractive for many potential applications. In an attempt to provide ideas and guidelines for the development of new shape-memory alloys, this paper reports on a series of investigations that examine the reasons in the crystallography that made (i) shape-memory alloys special amongst martensites and (ii) Nickel-Titanium special among shape-memory alloys.

Bhattacharya, K. [California Inst. of Tech., Pasadena, CA (United States). Div. of Engineering and Applied Science

1999-01-01T23:59:59.000Z

311

Inter-flavin electron transfer in cytochrome P450 reductase effects of solvent and pH identify hidden  

E-Print Network (OSTI)

-NADP+ reductase [2,3,6]. This is also reflected in its domain organization deter- mined by X-ray crystallography transfer; hq, hydroquinone; KIE, kinetic isotope effect; MSR, methionine synthase reductase; NHE, normal for the majority of the cytochrome P450 (P450) enzyme family members in the relevant organism [11­15]. Thus

312

Ultramicroscopy 98 (2004) 145150 Structural study of new hydrocarbon nano-crystals by  

E-Print Network (OSTI)

.V. All rights reserved. PACS: 61.14.Lj; 61.66.Hq; 61.14.Dc; 61.14.Lj; 61.66.Hq; 61.14.Dc Keywords: Electron diffraction; Electron microscopy; Electron crystallography; Structure of organic crystal with the increasing power of computers, has led to rapid progress in the field. For organic structures, for example

Yaghi, Omar M.

313

The record of experimental science: Archiving data with literature  

Science Conference Proceedings (OSTI)

Crystallography is presented as a case study of a scientific discipline where the experimental data that underpin research results can be integrated into the scientific record. Among other advantages, this maximises the degree of trust in science, since ... Keywords: Data validation, digital archiving, electronic publishing

John R. Helliwell; Brian Mcmahon

2010-01-01T23:59:59.000Z

314

Experimental Optical-quality geological calcite was cleaved into fragments. In situ atomic force microscope (AFM) imaging was  

E-Print Network (OSTI)

/s and a solution concentration of = References 1 A. A. Chernov, Modern Crystallography III. Crystal Growth, Vol, Crystal Structures, Vol. 2 (Interscience Publishers, New York, 1960). 21 R. A. Berner, Rev. Mineral 31 Saddle River, NJ, 1997). 23 A. Mucci, The American Journal of Science 283, 780-790 (1983

Dickinson, J. Thomas

315

research papers J. Appl. Cryst. (2007). 40, 489495 doi:10.1107/S0021889807011387 489  

E-Print Network (OSTI)

International Union of Crystallography Printed in Singapore ­ all rights reserved Low-background single-crystal, Chalk River Laboratories, Chalk River, Ontario, Canada K0J 1J0, and b Physics Department and the Centre on inexpensive single-crystal silicon are described. One uses a conventional cylindrical geometry

Ryan, Dominic

316

J. Synchrotron Rad. (1999). 6, 50 A shutterphotodiode combination for UV  

E-Print Network (OSTI)

to shutter the beam. In our work this is to protect radiation-sensitive samples from unnecessary exposure. 50 Laboratory Notes # 1999 International Union of Crystallography Journal of Synchrotron Radiation for monochromatic radiation. Of course, the photodiode must intercept the beam, as our shutter does in its closed

317

Crystal Structure of the 30 S Ribosomal Subunit from Thermus thermophilus: Purification, Crystallization  

E-Print Network (OSTI)

of Biochemistry University of Utah School of Medicine, Salt Lake City UT 84132, USA We describe that were useful for determination of the atomic structure were: the use of anomalous scattering from of a detailed atomic-resolution model. # 2001 Academic Press Keywords: 30 S; ribosome; crystallography

Ramakrishnan, Venki

318

Acta Cryst. (2002). D58, 13071313 Sevck et al. RNase Sa 1307 research papers  

E-Print Network (OSTI)

of guanosine nucleotides with high speci®city. The structure of the enzyme was previously re®ned at atomic Crystallographica Section D Biological Crystallography ISSN 0907-4449 Atomic resolution data reveal flexibility. The separation for most of the corre- sponding main-chain atoms in the two conformations is about 0.8 A?

Wlodawer, Alexander

319

MCT: Model Coupling Toolkit | Argonne National Laboratory  

NLE Websites -- All DOE Office Websites (Extended Search)

MCT: Model Coupling Toolkit MCT: Model Coupling Toolkit MCT: Model Coupling Toolkit MCT is a set of open-source software tools for creating coupled models. MCT is fully parallel and can be used to couple message-passing parallel models to create a parallel coupled model. MCT is available as a small library and a set of Fortran90 modules. MCT provides model interoperability through a simple API. Two models that declare and use MCT datatypes can be coupled with a minimum of effort. MCT provides the following core coupling services: A component model registry Domain decomposition descriptors Communications schedulers for parallel MxN intercomponent data transfer and MxM intracomponent data redistribution A flexible and indexible (i.e., random-access) field data storage datatype A time averaging and accumulation buffer datatype

320

NEPA COMPLIANCE SURVEY  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

4 4 'f>lf,M/9-~ ~of- Project lnfq,gnation Project Title: WhisperGenARelocation from 58-MX-10 ~o 65-S-10 ·~ I Date: 3/16/2010 DOE Code: -#Z'l?. Contractor Code: Project Lead: Everett Walker /41f-t#J ST _,J.tl Project Overview The Environmental Specialist and the Field Coordinator visited location and discussed the plan to remove 1. What are the environmental impacts? the WhisperGen unit, concrete pad, gas supply umbilical, and power conduit from the current location and move to higher visibility area with dry gas supply to supply power to 65-S-1 0. an existing well. There were 2 previous NEPAs # 211 on 5/27/09 and #240 on 10/01/09 2. What is the legal location? 58-MX-10 3. What is the duration of the project? Construction Two days/ Project Duration 6 months

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


321

MCT--The Model Coupling Toolkit  

NLE Websites -- All DOE Office Websites (Extended Search)

Model Coupling Toolkit Model Coupling Toolkit MCT is a set of open-source software tools for creating coupled models. MCT is fully parallel and can be used to couple message-passing parallel models to create a parallel coupled model. MCT is available as a small library and a set of Fortran90 modules. MCT provides model interoperability through a simple API. Two models that declare and use MCT datatypes can be coupled with a minimum of effort. MCT provides the following core coupling services: a component model registry domain decomposition descriptors communications schedulers for parallel MxN intercomponent data transfer and MxM intracomponent data redistribution a flexible and indexible (i.e., random-access) field data storage datatype a time averaging and accumulation buffer datatype

322

Actinide halide complexes  

DOE Patents (OSTI)

A compound of the formula MX{sub n}L{sub m} wherein M = Th, Pu, Np,or Am thorium, X = a halide atom, n = 3 or 4, L is a coordinating ligand selected from the group consisting of aprotic Lewis bases having an oxygen-, nitrogen-, sulfur-, or phosphorus-donor, and m is 3 or 4 for monodentate ligands or is 2 for bidentate ligands, where n + m = 7 or 8 for monodentate ligands or 5 or 6 for bidentate ligands, a compound of the formula MX{sub n} wherein M, X, and n are as previously defined, and a process of preparing such actinide metal compounds including admixing the actinide metal in an aprotic Lewis base as a coordinating solvent in the presence of a halogen-containing oxidant, are provided.

Avens, L.R.; Zwick, B.D.; Sattelberger, A.P.; Clark, D.L.; Watkin, J.G.

1991-02-07T23:59:59.000Z

323

Information und Auskunft: UdS, FR Chemie, 0681/302-70650  

E-Print Network (OSTI)

Information und Auskunft: UdS, FR Chemie, 0681/302-70650 kickelbick@mx.uni-saarland.de LHS, Amt für GEHT OHNE SIE }?ffentliche Ringvorlesung zum internationalen Jahr der Chemie Mittwochs, 19:00 Uhr Haus der Zukunft Saarbrücken Richard-Wagner-Str. 14 -16 Wintersemester 2011/12 www.uni-saarland.de/alles-chemie

Mayberry, Marty

324

Khesbn no. 115 - Spring 1990 - Journal  

E-Print Network (OSTI)

uw ,pnxn pn ny2 x .jxui/3. anp x pr uxn ni? rn uxn Dxn .oynpp3inx3 oVvii *7 Vxn anp *x .33i3s? 77x D7i? n 3XOV3SX7177 x 1 1 mxVonx i n\\ n y anp-aVyn piny ps p7aonx pya px ni*

Admin, LAYCC

1990-01-01T23:59:59.000Z

325

Asymptotic confidence intervals for Poisson regression  

Science Conference Proceedings (OSTI)

Let (X,Y) be a R^dxN"0-valued random vector where the conditional distribution of Y given X=x is a Poisson distribution with mean m(x). We estimate m by a local polynomial kernel estimate defined by maximizing a localized log-likelihood function. We ... Keywords: 62G08, 62G15, 65H12, Confidence interval, Local polynomial kernel estimate, Poisson regression

Michael Kohler; Adam Krzy?ak

2007-05-01T23:59:59.000Z

326

LETTER Communicated by Wloodzislaw Duch A Maximum Likelihood Approach to Density Estimation with  

E-Print Network (OSTI)

. (5) [15 points] A cable that weighs 3 kg/m attached to a bucket filled with coal that weighs 400 kg. The bucket is initially at the bottom of a mine shaft that is 200 meters deep. Find the amount of work = mg, and the total mass is mass of the coal plus the mass of the cable: m(x) = 400 + 3 · (200 - x

Tsuchiya, Takashi

327

Ambient-pressure organic superconductor  

DOE Patents (OSTI)

A new class of organic superconductors having the formula (ET).sub.2 MX.sub.2 wherein ET represents bis(ethylenedithio)-tetrathiafulvalene, M is a metal such as Au, Ag, In, Tl, Rb, Pd and the like and X is a halide. The superconductor (ET).sub.2 AuI.sub.2 exhibits a transition temperature of 5 K which is high for organic superconductors.

Williams, Jack M. (Downers Grove, IL); Wang, Hsien-Hau (Willowbrook, IL); Beno, Mark A. (Woodridge, IL)

1986-01-01T23:59:59.000Z

328

Ambient-temperature superconductor symetrical metal-dihalide bis-(ethylenedithio)-tetrathiafulvalene compounds  

DOE Patents (OSTI)

A new class of organic superconductors having the formula (ET).sub.2 MX.sub.2 wherein ET represents bis(ethylenedithio)-tetrathiafulvalene, M is a metal such as Au, Ag, In, Tl, Rb, Pd and the like and X is a halide. The superconductor (ET).sub.2 AuI.sub.2 exhibits a transition temperature of 5 K. which is high for organic superconductors.

Williams, Jack M. (Downers Grove, IL); Wang, Hsien-Hau (Willowbrook, IL); Beno, Mark A. (Woodridge, IL)

1987-01-01T23:59:59.000Z

329

EMERGING DIMMINGS OF ACTIVE REGIONS OBSERVED BY THE SOLAR DYNAMICS OBSERVATORY  

Science Conference Proceedings (OSTI)

Using the observations from the Atmospheric Imaging Assembly and the Helioseismic and Magnetic Imager on board the Solar Dynamics Observatory, we statistically investigate the emerging dimmings (EDs) of 24 isolated active regions (IARs) from 2010 June to 2011 May. All the IARs show EDs in lower-temperature lines (e.g., 171 A) at their early emerging stages. Meanwhile, in higher temperature lines (e.g., 211 A), the ED regions brighten continuously. There are two types of EDs: fan-shaped and halo-shaped. There are 19 fan-shaped EDs and 5 halo-shaped ones. The EDs appear to be delayed by several to more than ten hours relative to the first emergence of the IARs. The shortest delay is 3.6 hr and the longest is 19.0 hr. The EDs last from 3.3 hr to 14.2 hr, with a mean duration of 8.3 hr. Before the appearance of the EDs, the emergence rate of the magnetic flux of the IARs is between 1.2 Multiplication-Sign 10{sup 19} Mx hr{sup -1} to 1.4 Multiplication-Sign 10{sup 20} Mx hr{sup -1}. The larger the emergence rate is, the shorter the delay time is. While the dimmings appear, the magnetic flux of the IARs ranges from 8.8 Multiplication-Sign 10{sup 19} Mx to 1.3 Multiplication-Sign 10{sup 21} Mx. These observations imply that the reconfiguration of the coronal magnetic fields due to reconnection between the newly emerging flux and the surrounding existing fields results in a new thermal distribution which leads to a dimming for the cooler channel (171 A) and brightening in the warmer channels.

Zhang Jun; Yang Shuhong [Key Laboratory of Solar Activity, National Astronomical Observatories, Chinese Academy of Sciences, Beijing 100012 (China); Liu Yang; Sun Xudong, E-mail: zjun@nao.cas.cn, E-mail: shuhongyang@nao.cas.cn, E-mail: yliu@sun.stanford.edu, E-mail: xudong@sun.stanford.edu [W. W. Hansen Experimental Physics Laboratory, Stanford University, Stanford, CA 94305-4085 (United States)

2012-12-01T23:59:59.000Z

330

Perspectives on effectively constraining the location of a massive trans-Plutonian obejct with the New Horizons spacecraft: a sensitivity analysis  

E-Print Network (OSTI)

The radio tracking apparatus of the New Horizons spacecraft, currently traveling to the Pluto system where its arrival is scheduled for July 2015, should be able to reach an accuracy of 10 m (range) and 0.1 mm s^-1 (range-rate) over distances up to 50 au. This should allow to effectively constrain the location of a putative trans-Plutonian massive object, dubbed Planet X (PX) hereafter, whose existence has recently been postulated for a variety of reasons connected with, e.g., the architecture of the Kuiper belt and the cometary flux from the Oort cloud. Traditional scenarios involve a rock-ice planetoid with mX = 0.7mE at some 100 - 200 au, or a Jovian body with mX = 5mJ at about 10,000 - 20,000 au; as a result of our preliminary sensitivity analysis, they should be detectable by New Horizons since they would impact its range at a km level or so over a time span six years long. Conversely, range residuals statistically compatible with zero having an amplitude of 10 m would imply that PX, if it exists, could not be located at less than about 4,500 au (mX = 0.7mE) or 60,000 au (mX = 5mJ), thus making a direct detection quite demanding with the present-day technologies. As a consequence, it would be appropriate to rename such a remote body as Thelisto. Also fundamental physics would benefit from this analysis since certain subtle effects predicted by MOND for the deep Newtonian regions of our Solar System are just equivalent to those of a distant pointlike mass.

Lorenzo Iorio

2013-01-16T23:59:59.000Z

331

The spin-orbit interaction enhanced terahertz absorption in graphene around the K point  

Science Conference Proceedings (OSTI)

We present a quantitative analysis on the effect of the spin-orbit interaction in the optical absorption of @p-electrons in graphene. It has been shown that the optical absorption amplitude of graphene around the K point in the Brillouin zone has a node ... Keywords: 73.50.Mx, 78.66.-w, 81.05.Uw, Absorption, Graphene, Spin-orbit interaction

A. R. Wright; G. X. Wang; W. Xu; Z. Zeng; C. Zhang

2009-04-01T23:59:59.000Z

332

The Mass of the Compact Object in the Low-Mass X-ray Binary 2S 0921-630  

E-Print Network (OSTI)

We interpret the observed radial-velocity curve of the optical star in the low-mass X-ray binary 2S 0921-630 using a Roche model, taking into account the X-ray heating of the optical star and screening of X-rays coming from the relativistic object by the accretion disk. Consequences of possible anisotropy of the X-ray radiation are considered.We obtain relations between the masses of the optical and compact (X-ray) components, mv and mx, for orbital inclinations i=60, 75, 90 degrees. Including X-ray heating enabled us to reduce the compact object's mass by near 0.5-1Msun, compared to the case with no heating. Based on the K0III spectral type of the optical component (with a probable mass of mv=2.9Msun, we concluded that mx=2.45-2.55Msun (for i=75-90 degrees). If the K0III star has lost a substantial part of its mass as a result of mass exchange, as in the V404 Cyg and GRS 1905+105 systems, and its mass is $m_v=0.65-0.75Msun, the compact object's mass is close to the standard mass of a neutron star, mx=1.4Msun...

Abubekerov, M K; Cherepashchuk, A M; Shimanskii, V V

2012-01-01T23:59:59.000Z

333

POLAR FIELD REVERSAL OBSERVATIONS WITH HINODE  

Science Conference Proceedings (OSTI)

We have been monitoring yearly variation in the Sun's polar magnetic fields with the Solar Optical Telescope aboard Hinode to record their evolution and expected reversal near the solar maximum. All magnetic patches in the magnetic flux maps are automatically identified to obtain the number density and magnetic flux density as a function of the total magnetic flux per patch. The detected magnetic flux per patch ranges over four orders of magnitude (10{sup 15}-10{sup 20} Mx). The higher end of the magnetic flux in the polar regions is about one order of magnitude larger than that of the quiet Sun, and nearly that of pores. Almost all large patches ({>=}10{sup 18} Mx) have the same polarity, while smaller patches have a fair balance of both polarities. The polarity of the polar region as a whole is consequently determined only by the large magnetic concentrations. A clear decrease in the net flux of the polar region is detected in the slow rising phase of the current solar cycle. The decrease is more rapid in the north polar region than in the south. The decrease in the net flux is caused by a decrease in the number and size of the large flux concentrations as well as the appearance of patches with opposite polarity at lower latitudes. In contrast, we do not see temporal change in the magnetic flux associated with the smaller patches (<10{sup 18} Mx) and that of the horizontal magnetic fields during the years 2008-2012.

Shiota, D. [Advanced Science Institute, RIKEN (Institute of Physics and Chemical Research), Wako, Saitama 351-0198 (Japan); Tsuneta, S.; Shimojo, M.; Orozco Suarez, D.; Ishikawa, R. [National Astronomical Observatory of Japan (NAOJ), Mitaka, Tokyo 181-8588 (Japan); Sako, N., E-mail: shiota@riken.jp [Department of Astronomical Science, The Graduate University for Advanced Studies, Mitaka, Tokyo 181-8588 (Japan)

2012-07-10T23:59:59.000Z

334

Occurrence of Breast Cancer After Chest Wall Irradiation for Pediatric Cancer, as Detected by a Multimodal Screening Program  

Science Conference Proceedings (OSTI)

Purpose: To assess the occurrence of breast cancer (BC) after exposure to ionizing radiation for pediatric cancer, by means of a multimodal screening program. Patients and Methods: We identified 86 patients who had received chest wall radiation therapy for pediatric cancer. Clinical breast examination (CBE), ultrasound (US), and mammography (MX) were performed yearly. Magnetic resonance imaging (MRI) was added as of October 2007. We calculated the risk of developing BC by radiation therapy dose, patient age, and menarche before or after primary treatment. Results: Eleven women developed a BC from July 2002-February 2010. The sensitivity of the screening methods was 36% for CBE, 73% for MX, 55% for US, and 100% for MRI; the specificity was 91%, 99%, 95%, and 80% for CBE, MX, US, and MRI, respectively. The annual BC detection rate was 2.9%. The median age at BC diagnosis was 33 years. Although age had no influence, menarche before as opposed to after radiation therapy correlated significantly with BC (P=.027): the annual BC detection rate in the former subgroup was 5.3%. Conclusions: Mammography proved more sensitive and specific in our cohort of young women than CBE or US. Magnetic resonance imaging proved 100% sensitive (but this preliminary finding needs to be confirmed). Our cohort of patients carries a 10-fold BC risk at an age more than 20 years younger than in the general population.

Terenziani, Monica [Pediatric Oncology Unit, Fondazione IRCCS Istituto Nazionale Tumori, Milano (Italy)] [Pediatric Oncology Unit, Fondazione IRCCS Istituto Nazionale Tumori, Milano (Italy); Casalini, Patrizia [Molecular Biology Unit, Fondazione IRCCS Istituto Nazionale Tumori, Milano (Italy)] [Molecular Biology Unit, Fondazione IRCCS Istituto Nazionale Tumori, Milano (Italy); Scaperrotta, Gianfranco; Gandola, Lorenza; Trecate, Giovanna [Radiology and Radiotherapy Departments, Fondazione IRCCS Istituto Nazionale Tumori, Milano (Italy)] [Radiology and Radiotherapy Departments, Fondazione IRCCS Istituto Nazionale Tumori, Milano (Italy); Catania, Serena; Cefalo, Graziella [Pediatric Oncology Unit, Fondazione IRCCS Istituto Nazionale Tumori, Milano (Italy)] [Pediatric Oncology Unit, Fondazione IRCCS Istituto Nazionale Tumori, Milano (Italy); Conti, Alberto [Breast Surgery Unit, Fondazione IRCCS Istituto Nazionale Tumori, Milano (Italy)] [Breast Surgery Unit, Fondazione IRCCS Istituto Nazionale Tumori, Milano (Italy); Massimino, Maura; Meazza, Cristina; Podda, Marta; Spreafico, Filippo [Pediatric Oncology Unit, Fondazione IRCCS Istituto Nazionale Tumori, Milano (Italy)] [Pediatric Oncology Unit, Fondazione IRCCS Istituto Nazionale Tumori, Milano (Italy); Suman, Laura [Radiology and Radiotherapy Departments, Fondazione IRCCS Istituto Nazionale Tumori, Milano (Italy)] [Radiology and Radiotherapy Departments, Fondazione IRCCS Istituto Nazionale Tumori, Milano (Italy); Gennaro, Massimiliano, E-mail: gennaromassimiliano@istitutotumori.mi.it [Breast Surgery Unit, Fondazione IRCCS Istituto Nazionale Tumori, Milano (Italy)] [Breast Surgery Unit, Fondazione IRCCS Istituto Nazionale Tumori, Milano (Italy)

2013-01-01T23:59:59.000Z

335

Excitation of the Delta(1232) isobar in deuteron charge exchange on hydrogen at 1.6, 1.8, and 2.3 GeV  

E-Print Network (OSTI)

The charge-exchange break-up of polarised deuterons pol{d}p -> {pp}n, where the final {pp} diproton system has a very low excitation energy and hence is mainly in the 1S0 state, is a powerful tool to probe the spin-flip terms in the proton-neutron charge-exchange scattering. Recent measurements with the ANKE spectrometer at the COSY storage ring at 1.6, 1.8, and 2.27 GeV have extended these studies into the pion-production regime in order to investigate the mechanism for the excitation of the Delta(1232) isobar in the pol{d}p -> {pp}X reaction. Values of the differential cross section and two deuteron tensor analysing powers, A_{xx} and A_{yy}, have been extracted in terms of the momentum transfer to the diproton or the invariant mass Mx of the unobserved system X. The unpolarised cross section in the high Mx region is well described in a model that includes only direct excitation of the Delta isobar through undistorted one pion exchange. However, the cross section is grossly underestimated for low Mx, even when Delta excitation in the projectile deuteron is included in the calculation. Furthermore, direct Delta production through one pion exchange only reproduces the angular dependence of the difference between the two tensor analysing powers.

D. Mchedlishvili; S. Barsov; J. Carbonell; D. Chiladze; S. Dymov; A. Dzyuba; R. Engels; R. Gebel; V. Glagolev; K. Grigoryev; P. Goslawski; M. Hartmann; O. Imambekov; A. Kacharava; V. Kamerdzhiev; I. Keshelashvili; A. Khoukaz; V. Komarov; P. Kulessa; A. Kulikov; A. Lehrach; N. Lomidze; B. Lorentz; G. Macharashvili; R. Maier; S. Merzliakov; M. Mielke; M. Mikirtychyants; S. Mikirtychyants; M. Nioradze; H. Ohm; M. Papenbrock; D. Prasuhn; F. Rathmann; V. Serdyuk; H. Seyfarth; H. J. Stein; E. Steffens; H. Stockhorst; H. Strher; M. Tabidze; S. Trusov; Yu. Uzikov; Yu. Valdau; C. Wilkin

2013-05-23T23:59:59.000Z

336

Excitation of the Delta(1232) isobar in deuteron charge exchange on hydrogen at 1.6, 1.8, and 2.3 GeV  

E-Print Network (OSTI)

The charge-exchange break-up of polarised deuterons pol{d}p -> {pp}n, where the final {pp} diproton system has a very low excitation energy and hence is mainly in the 1S0 state, is a powerful tool to probe the spin-flip terms in the proton-neutron charge-exchange scattering. Recent measurements with the ANKE spectrometer at the COSY storage ring at 1.6, 1.8, and 2.27 GeV have extended these studies into the pion-production regime in order to investigate the mechanism for the excitation of the Delta(1232) isobar in the pol{d}p -> {pp}X reaction. Values of the differential cross section and two deuteron tensor analysing powers, A_{xx} and A_{yy}, have been extracted in terms of the momentum transfer to the diproton or the invariant mass Mx of the unobserved system X. The unpolarised cross section in the high Mx region is well described in a model that includes only direct excitation of the Delta isobar through undistorted one pion exchange. However, the cross section is grossly underestimated for low Mx, even w...

Mchedlishvili, D; Carbonell, J; Chiladze, D; Dymov, S; Dzyuba, A; Engels, R; Gebel, R; Glagolev, V; Grigoryev, K; Goslawski, P; Hartmann, M; Imambekov, O; Kacharava, A; Kamerdzhiev, V; Keshelashvili, I; Khoukaz, A; Komarov, V; Kulessa, P; Kulikov, A; Lehrach, A; Lomidze, N; Lorentz, B; Macharashvili, G; Maier, R; Merzliakov, S; Mielke, M; Mikirtychyants, M; Mikirtychyants, S; Nioradze, M; Ohm, H; Papenbrock, M; Prasuhn, D; Rathmann, F; Serdyuk, V; Seyfarth, H; Stein, H J; Steffens, E; Stockhorst, H; Strher, H; Tabidze, M; Trusov, S; Uzikov, Yu; Valdau, Yu; Wilkin, C

2013-01-01T23:59:59.000Z

337

News Item  

NLE Websites -- All DOE Office Websites (Extended Search)

Yi Liu Yi Liu Liu Staff Scientist, Organic and Macromolecular Synthesis YLiu@lbl.gov 510.486.6287 personal website Biography Yi Liu is a Staff Scientist in the Organic and Macromolecular Synthesis Facility. He obtained a Ph.D. in Chemistry in 2004 from the University of California, Los Angeles under the direction of Sir. J. Fraser Stoddart. After his postdoctoral research with Professor K. Barry Sharpless at the Scripps Research Institute, San Diego, he joined the Foundry in 2006 as an independent Principle Investigator and was promoted to the career Staff Scientist in 2011. Research Interests Dr. Liu's research aims to achieve coherent control of functionality and properties across different scales through molecular level design and synthesis. With the developed materials chemistry, Dr. Liu has not only

338

1  

NLE Websites -- All DOE Office Websites (Extended Search)

91 91 UC-400 Annual Report 1999 Macromolecular Structure and Dynamics D. W. Koppenaal, Associate Director P. D. Ellis, Technical Group Manager R. D. Smith, Technical Group Manager and the Staff of the Macromolecular Structure and Dynamics Directorate April 2000 Prepared for the U.S. Department of Energy under Contract DE-AC06-76RLO 1830 DISCLAIMER This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor Battelle Memorial Institute, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus,

339

B819206E 499..515  

NLE Websites -- All DOE Office Websites (Extended Search)

ISSN 1742-206X ISSN 1742-206X www.molecularbiosystems.org Volume 6 | Number 3 | March 2010 | Pages 425-604 PAPER Ann M. Patten et al. Probing native lignin macromolecular configuration in Arabidopsis thaliana in specific cell wall types: Further insights into limited substrate degeneracy and assembly of the lignins of ref8, fah 1-2 and C4H::F5H lines Downloaded by University of Tennessee at Knoxville on 05 August 2011 Published on 10 December 2009 on http://pubs.rsc.org | doi:10.1039/B819206E View Online Probing native lignin macromolecular configuration in Arabidopsis thaliana in specific cell wall types: Further insights into limited substrate degeneracy and assembly of the lignins of ref8, fah 1-2 and C4H::F5H lines Ann M. Patten, a Michae ¨ l Jourdes, a Claudia L. Cardenas, a Dhrubojyoti D. Laskar, a Yoshihisa

340

Method of filtering a target compound from a first solvent that is above its critical density  

DOE Patents (OSTI)

The present invention is a method of separating a first compound having a macromolecular structure from a mixture. The first solvent is a fluid that is a gas at standard temperature and pressure and is at a density greater than a critical density of the fluid. A macromolecular structure containing a first compound is dissolved therein as a mixture. The mixture is contacted onto a selective barrier and the first solvent passed through the selective barrier thereby retaining the first compound, followed by recovering the first compound. By using a fluid that is a gas at standard temperature and pressure at a density greater than its critical density, separation without depressurization is fast and efficient.

Phelps, Max R. (Richland, WA); Yonker, Clement R. (Kennewick, WA); Fulton, John L. (Richland, WA); Bowman, Lawrence E. (Richland, WA)

2001-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


341

In silico method for modelling metabolism and gene product expression at genome scale  

Science Conference Proceedings (OSTI)

Transcription and translation use raw materials and energy generated metabolically to create the macromolecular machinery responsible for all cellular functions, including metabolism. A biochemically accurate model of molecular biology and metabolism will facilitate comprehensive and quantitative computations of an organism's molecular constitution as a function of genetic and environmental parameters. Here we formulate a model of metabolism and macromolecular expression. Prototyping it using the simple microorganism Thermotoga maritima, we show our model accurately simulates variations in cellular composition and gene expression. Moreover, through in silico comparative transcriptomics, the model allows the discovery of new regulons and improving the genome and transcription unit annotations. Our method presents a framework for investigating molecular biology and cellular physiology in silico and may allow quantitative interpretation of multi-omics data sets in the context of an integrated biochemical description of an organism.

Lerman, Joshua A.; Hyduke, Daniel R.; Latif, Haythem; Portnoy, Vasiliy A.; Lewis, Nathan E.; Orth, Jeffrey D.; Rutledge, Alexandra C.; Smith, Richard D.; Adkins, Joshua N.; Zengler, Karsten; Palsson, Bernard O.

2012-07-03T23:59:59.000Z

342

News Item  

NLE Websites -- All DOE Office Websites (Extended Search)

Frantisek Svec Frantisek Svec Svec Facility Director, Organic and Macromolecular Synthesis fsvec@lbl.gov 510.486.7964 personal website Biography Frantisek (Frank) received both degrees B.S. in chemistry and Ph.D. in polymer chemistry from the Institute of Chemical Technology, Prague (Czech Republic) in 1965 and 1969, respectively. In 1976 he joined the Institute of Macromolecular Chemistry of the Czechoslovak Academy of Sciences where he was promoted through the ranks to the Head of Department and the Scientific Secretary of the Institute. He accepted an offer and joined faculty at Cornell University in 1992. Since 1997, he is appointed at the University of California, Berkeley. He currently works as Facility Director in the Molecular Foundry of the Lawrence Berkeley National Laboratory. Dr.

343

Molecular Science Research Center 1992 annual report  

Science Conference Proceedings (OSTI)

The Molecular Science Research Center is a designated national user facility, available to scientists from universities, industry, and other national laboratories. After an opening section, which includes conferences hosted, appointments, and projects, this document presents progress in the following fields: chemical structure and dynamics; environmental dynamics and simulation; macromolecular structure and dynamics; materials and interfaces; theory, modeling, and simulation; and computing and information sciences. Appendices are included: MSRC staff and associates, 1992 publications and presentations, activities, and acronyms and abbreviations.

Knotek, M.L.

1994-01-01T23:59:59.000Z

344

A Nanocrystal Sensor for Luminescence Detection of Cellular Forces  

Science Conference Proceedings (OSTI)

Quantum dots have been used as bright fluorescent tags with high photostability to probe numerous biological systems. In this work we present the tetrapod quantum dot as a dynamic, next-generation nanocrystal probe that fluorescently reports cellular forces with spatial and temporal resolution. Its small size and colloidal state suggest that the tetrapod may be further developed as a tool to measure cellular forces in vivo and with macromolecular spatial resolution.

Choi, Charina; Chou, Jonathan; Lutker, Katie; Werb, Zena; Alivisatos, Paul

2011-09-29T23:59:59.000Z

345

Bioscience  

NLE Websites -- All DOE Office Websites (Extended Search)

Bioscience Print Bioscience Print Bioscience research at the ALS can be divided into two areas: general biology (microscopy/spectroscopy) and structural biology (crystallography/diffraction). These fields provide complementary approaches to the study of living organisms from the molecular to the cellular levels. Crystallography is used to determine the atomic-resolution, three-dimensional structures of proteins and nucleic acids-the building blocks of life-as well as complexes of these molecules, the interactions of which gives rise to biological processes. Microscopy allows us to find where these biomolecules are localized in the cell and visualize the cell's overall organization. Spectroscopy also comes into play, yielding information on the chemical state of these molecules.

346

CV1995  

NLE Websites -- All DOE Office Websites (Extended Search)

Norma Edith Cope Duke Beamline Scientist, Protein Crystallographer Norma Edith Cope Duke Beamline Scientist, Protein Crystallographer University of Calgary B. Science 1982 Chemistry University of Calgary B. Arts 1983 English University of Calgary Ph.D. Science 1989 Physical Chemistry Yale University Post-Doc 1990 Protein Crystallography University of Alberta Post-Doc 1995 Protein Crystallography Positions and Employment 2004-present Scientist, level 706; Argonne National Laboratory 1998-2004 Scientist, level 705; Argonne National Laboratory 1995-1998 Visiting Scientist, Argonne National Laboratory Other Experience and Professional Memberships 1983-1988 Studentship; Alberta Heritage Fund for Medical Research (AHFMR) 1983-present Member, American Crystallographic Association (ACA) 1999 D.O.E. Review Committee, Dept. of Educational Programs, Oakridge National

347

APS User News-at-a-Glance 2006 Year-End Index  

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News-at-a-Glance News-at-a-Glance Year-End Index 2008 Issue 46 (02.11.08) MESSAGE FROM MURRAY -- Funding Issues, Schedule, and Steps Forward SCIENCE NEWS 1. Featured Beamlines: Four New Crystallography Stations at LS-CAT, Powder Diffraction at the New 11-BM-B, and Mail-In Crystallography at SGX-CAT 2. Short Course on Small-Angle Scattering Offered June 28-July 2, 2008 USER MATTERS 3. Users Week 2008: Workshops, Events Announced 4. Nominations Invited by March 28 for the 2008 Franklin Young Investigator Award 5. Avoid International Shipping Panic: Use a Customs Agent FACILITY NEWS 6. Proposal Deadline is March 7 for Run 2008-2 PEOPLE NEWS 7. Michael Borland, Al Macrander named American Physical Society Fellows BRIEFLY NOTED -- Grill closing times changed Issue 47 (06.04.08) MESSAGE FROM MURRAY

348

Cracking Molecular Structures with Bright Lights - and a Few Good Eggs |  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Cracking Molecular Structures with Bright Lights - and a Few Good Cracking Molecular Structures with Bright Lights - and a Few Good Eggs Cracking Molecular Structures with Bright Lights - and a Few Good Eggs June 22, 2012 - 11:04am Addthis This rendering shows a lysozyme structural model against its X-ray diffraction pattern from SLAC’s Linac Coherent Light Source (LCLS), a powerful X-ray laser facility. Researchers have achieved high-resolution images of these simple biomolecules using advanced crystallography at LCLS. | Photo by Anton Barty/DESY This rendering shows a lysozyme structural model against its X-ray diffraction pattern from SLAC's Linac Coherent Light Source (LCLS), a powerful X-ray laser facility. Researchers have achieved high-resolution images of these simple biomolecules using advanced crystallography at LCLS.

349

Philip Coppens Awarded Seventh Annual IUCr Ewald Prize  

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ChemMatCARS ChemMatCARS Ewald Prize Coppens' Web site Philip Coppens Awarded Seventh IUCr Ewald Prize The International Union of Crystallography (IUCr) has announced that Professor Philip Coppens (Distinguished Professor, State University of New York at Buffalo) has been awarded the seventh Ewald Prize "for his contributions to developing the fields of electron density determination and the crystallography of molecular excited states, and for his contributions to the education and inspiration of young crystallographers as an enthusiastic teacher by participating in and organizing many courses and workshops." Professor Coppens' studies of excited molecules within a molecular crystal at were carried out at the ChemMatCARS sector 15 at Argonne National Laboratory's Advanced Photon Source (APS). ChemMatCARS is a

350

The structure and mode of action of Caldicellulosiruptor bescii family 3 pectate lyase in biomass deconstruction  

NLE Websites -- All DOE Office Websites (Extended Search)

534 534 doi:10.1107/S0907444912050512 Acta Cryst. (2013). D69, 534-539 Acta Crystallographica Section D Biological Crystallography ISSN 0907-4449 The structure and mode of action of Caldicellulosiruptor bescii family 3 pectate lyase in biomass deconstruction Markus Alahuhta, a Roman Brunecky, a Puja Chandrayan, b Irina Kataeva, b Michael W. W. Adams, b Michael E. Himmel a and Vladimir V. Lunin a * a Biosciences Center, National Renewable Energy Laboratory, 15013 Denver West Parkway, Golden, CO 80401-3305, USA, and b Department of Biochemistry and Molecular Biology, University of Georgia, Athens, GA 30602-7229, USA Correspondence e-mail: vladimir.lunin@nrel.gov # 2013 International Union of Crystallography Printed in Singapore - all rights reserved The unique active site of the Caldicellulosiruptor bescii family 3 pectate lyase catalytic module (PL3-cat) has been structu-

351

Pixel and Microstrip detectors for current and future synchrotron light  

NLE Websites -- All DOE Office Websites (Extended Search)

Pixel and Microstrip detectors for current and future synchrotron light Pixel and Microstrip detectors for current and future synchrotron light sources Friday, July 1, 2011 - 1:00pm SLAC, Kavli Auditorium Dr. Christian Brönnimann, CEO, DECTRIS Ltd., CH-5400 Baden, Switzerland The PILATUS pixel detectors, large area modular two-dimensional hybrid pixel array detectors, have revolutionized protein crystallography and biological small- and wide-angle scattering by combining noise-free counter properties with highest data acquisition rates. These features enable optimized data acquisition modes and new experimental techniques. The PILATUS 6M detector was developed at the Paul Scherrer Institut specifically for protein crystallography. DECTRIS has successfully commercialized the PILATUS technology. Currently eight 6M-systems are in

352

Structure and function of the Clostridium thermocellum cellobiohydrolase A X1-module repeat: enhancement through stabilization of the CbhA complex  

NLE Websites -- All DOE Office Websites (Extended Search)

292 292 doi:10.1107/S0907444912001680 Acta Cryst. (2012). D68, 292-299 Acta Crystallographica Section D Biological Crystallography ISSN 0907-4449 Structure and function of the Clostridium thermocellum cellobiohydrolase A X1-module repeat: enhancement through stabilization of the CbhA complex Roman Brunecky, Markus Alahuhta, Yannick J. Bomble, Qi Xu, John O. Baker, Shi-You Ding, Michael E. Himmel and Vladimir V. Lunin* Biosciences Center, National Renewable Energy Laboratory, 1617 Cole Boulevard, Golden, CO 80401, USA Correspondence e-mail: vladimir.lunin@nrel.gov # 2012 International Union of Crystallography Printed in Singapore - all rights reserved The efficient deconstruction of lignocellulosic biomass remains a significant barrier to the commercialization of biofuels. Whereas most commercial plant cell-wall-degrading enzyme preparations used today

353

National synchrotron light source. Activity report, October 1, 1994--September 30, 1995  

SciTech Connect

This report discusses research conducted at the National Synchrotron Light Source in the following areas: atomic and molecular science; energy dispersive diffraction; lithography, microscopy, and tomography; nuclear physics; scattering and crystallography studies of biological materials; time resolved spectroscopy; UV photoemission and surface science; x-ray absorption spectroscopy; x-ray scattering and crystallography; x-ray topography; the 1995 NSLS annual users` meeting; 17th international free electron laser conference; micro bunches workshop; VUV machine; VUV storage ring parameters; beamline technical improvements; x-ray beamlines; x-ray storage ring parameters; the NSLS source development laboratory; the accelerator test facility (ATF); NSLS facility improvements; NSLS advisory committees; NSLS staff; VUV beamline guide; and x-ray beamline guide.

Rothman, E.Z.; Hastings, J. [eds.

1996-05-01T23:59:59.000Z

354

Microscale X-ray Absorption Spectroscopy on the GSECARS Sector 13 at the APS  

E-Print Network (OSTI)

GeoSoilEnviroCARS (GSECARS) is a national user facility for frontier research in the earth sciences using synchrotrons radiation at the Advanced Photon Source, Argonne National Laboratory. GSECARS provides earth scientists with access to the high-brilliance hard x-rays from this third-generation synchrotrons light source. The research conducted at this facility will advance our knowledge of the composition, structure and properties of earth materials, the processes they control and the processes that produce them. All principal synchrotron-based analytical techniques in demand by earth scientists are being brought to bear on earth science problems: (1) high-pressure/high-temperature crystallography and spectroscopy using the diamond anvil cell; (2) high-pressure/high-temperature crystallography using the large-volume press; (3) powder, single crystal and interface diffraction; (4) x-ray absorption fine structure (XAFS) spectroscopy; (5) x-ray fluorescence microprobe analysis and microspectroscopy; and (6) mic...

Stephen-Sutto

2000-01-01T23:59:59.000Z

355

Collaborations, Oxide Molecular Beam Epitaxy Group, Condensed Matter  

NLE Websites -- All DOE Office Websites (Extended Search)

Collaborations Collaborations Collaborations at BNL Experiment COBRA X-ray crystallography Researchers Dr. Ron Pindak, Dr. Hua Zhou (NSLS), Dr. Yitzak Yacobi (Technion, Israel) Object of Study The atomic structure of interfaces in M-I bilayers Experiment High-resolution electron microscopy Researchers Dr. Yimei Zhu (CMPMS) Object of Study The atomic structure of HTS heterostructures; bi-crystal grain boundaries Experiment Synchrotron X-ray crystallography Researchers Dr. John Hill (CMPMS) Object of Study Spin excitation spectrum in ultrathin LSCO layers Experiment Ultrafast electron diffraction Researchers Dr. Xijie Wang (NSLS) Object of Study Photo-induced lattice expansion Collaborations in the United States Experiment Resonant soft X-ray scattering (SXRS) Researchers Prof. Peter Abbamonte, Dr. Serban Smadici (University of Illinois at Urbana-Champaign)

356

Facilitating the Deposit of Experimental Chemistry Data in Institutional Repositories: Project SPECTRa  

E-Print Network (OSTI)

restrictions. One conspicuous component of the OA movement has been the development of repositories as a means of managing the deposit, dissemination and preservation of research outputs in digital form. The Directory of Open Access Repositories, Open... the needs of the chemistry research community The project selected three distinct areas of chemistry research synthetic organic chemistry, crystallography and computational chemistry - for investigation. Each of these proved to have specific...

Morgan, Peter

357

NUCLEAR CHEMISTRY ANNUAL REPORT 1970  

SciTech Connect

Papers are presented for the following topics: (1) Nuclear Structure and Nuclear Properties - (a) Nuclear Spectroscopy and Radioactivity; (b) Nuclear Reactions and Scattering; (c) Nuclear Theory; and (d) Fission. (2) Chemical and Atomic Physics - (a) Atomic and Molecular Spectroscopy; and (b) Hyperfine Interactions. (3) Physical, Inorganic, and Analytical Chemistry - (a) X-Ray Crystallography; (b) Physical and Inorganic Chemistry; (c) Radiation Chemistry; and (d) Chemical Engineering. (4) Instrumentation and Systems Development.

Authors, Various

1971-05-01T23:59:59.000Z

358

Pressure-driven orbital reorientations and coordination-sphere reconstructions in [CuF2(H2O)2(pyz)  

SciTech Connect

Successive reorientations of the Jahn-Teller axes associated with the Cu{sup II} ions accompany a series of pronounced structural transitions in the title compound, as is shown by X-ray crystallography and high-frequency EPR measurements. The second transition forces a dimerization involving two thirds of the Cu{sup II} sites due to ejection of one of the water molecules from the coordination sphere

Prescimone, A.; Morien, C.; Allan, D.; Schlueter, J.; Tozer, S.; Manson, J. L.; Parsons, S.; Brechin, E. K.; Hill, S. (Materials Science Division); (EaStCHEM School of Chem.); (Florida State Univ.); (Harwell Sci. Innovation Campus); (Eastern Washington Univ.)

2012-07-23T23:59:59.000Z

359

CALCULATING SEPARATE MAGNETIC FREE ENERGY ESTIMATES FOR ACTIVE REGIONS PRODUCING MULTIPLE FLARES: NOAA AR11158  

SciTech Connect

It is well known that photospheric flux emergence is an important process for stressing coronal fields and storing magnetic free energy, which may then be released during a flare. The Helioseismic and Magnetic Imager (HMI) on board the Solar Dynamics Observatory (SDO) captured the entire emergence of NOAA AR 11158. This region emerged as two distinct bipoles, possibly connected underneath the photosphere, yet characterized by different photospheric field evolutions and fluxes. The combined active region complex produced 15 GOES C-class, two M-class, and the X2.2 Valentine's Day Flare during the four days after initial emergence on 2011 February 12. The M and X class flares are of particular interest because they are nonhomologous, involving different subregions of the active region. We use a Magnetic Charge Topology together with the Minimum Current Corona model of the coronal field to model field evolution of the complex. Combining this with observations of flare ribbons in the 1600 A channel of the Atmospheric Imaging Assembly on board SDO, we propose a minimization algorithm for estimating the amount of reconnected flux and resulting drop in magnetic free energy during a flare. For the M6.6, M2.2, and X2.2 flares, we find a flux exchange of 4.2 Multiplication-Sign 10{sup 20} Mx, 2.0 Multiplication-Sign 10{sup 20} Mx, and 21.0 Multiplication-Sign 10{sup 20} Mx, respectively, resulting in free energy drops of 3.89 Multiplication-Sign 10{sup 30} erg, 2.62 Multiplication-Sign 10{sup 30} erg, and 1.68 Multiplication-Sign 10{sup 32} erg.

Tarr, Lucas; Longcope, Dana; Millhouse, Margaret [Department of Physics, Montana State University, Bozeman, MT 59717 (United States)

2013-06-10T23:59:59.000Z

360

OWNER(S)  

Office of Legacy Management (LM)

------ - ------ - Past: ~~~-~~~-~~~~~~~~~~rrent: Owner contacted q yes tina;-. ____ c-lti&pJ-~ lf yes, date contacted -_---__---___ TYPE OF OPERATION -_-----_--_--____ q Research & Development 0 Production scale testing 0 Pilot Scale 0 Bench Scale Process : 'Theoretical Studier Sample & Analysis G Production 0 Disposal/Storage TYPE OF CONTRACT ~-~~~----~~----_ &, Facility Type q Manufacturing 0 University a Research Organizaticn a Other information (i.e., cost + fixed fee,, unit price, -_---- yryoi -37 J-1 4:~zL~~:~:q~&- ,-antract,purchase Order # ,L,U,-37-?\- ---------------------------- --------------------_____________ my~mx~~ai_~Gi~~~Q : _I 7 v 3 _ I 9 V-Y, ---_--_------------------------------ OWNERSHIP: AEC/MED AEC/MED GOUT GOUT

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


361

X-ray Science Division: Groups  

NLE Websites -- All DOE Office Websites (Extended Search)

Division: Groups Division: Groups Atomic, Molecular and Optical Physics (AMO) Primary Contact: Stephen Southworth Work focuses on understanding how strong optical and x-ray fields interact with matter, with an emphasis on photonic control of electronic, atomic and molecular motion. Chemical and Materials Science (CMS) Primary Contact: Randy Winans Research Disciplines: Chemistry, Materials Science Detectors (DET) Primary Contact: Antonino Miceli GMCA Structural Biology Facility (MX) Primary Contact: Robert Fischetti Research Disciplines: Biology, Life Sciences Imaging (IMG) Primary Contact: Francesco DeCarlo Research Disciplines: Materials Science, Biology, Physics, Life Sciences Inelastic X-ray & Nuclear Resonant Scattering (IXN) Primary Contact: Thomas Gog Research Disciplines: Condensed Matter Physics, Geophysics, Materials

362

Microsoft Word - WH-MM-780 NEPA.docx  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

780 780 Title: Replace Obsolete WH Raw Water Injection Pump Vibration Transmitters Description: Subcontractor shall provide all labor, materials (except GFE), tools, equipment, and supervision required to replace the seven obsolete WH raw water injection pump vibration transmitters at pumps WHP-526 though WHP-532. Tasks include replacing the existing GE Bentley Nevada 1800 transmitters and power supplies with new METRIX MX2034 transmitters and power supplies. Subcontractor shall recover the existing equipment as Government Salvage. The new equipment will be supplied as Government Furnished Equipment (GFE). Regulatory Requirements: NEPA Implementing Procedures (10 CFR 1021) 10 CFR 1021.410 (Application of Categorical Exclusions)

363

Superconducting magnet development program progress report, July 1974--June 1975  

SciTech Connect

During FY 1975, the superconducting magnet development program at the Lawrence Livermore Laboratory was primarily directed toward the development of multifilamentary Nb$sub 3$Sn conductor for large CTR machines. It was secondarily concerned with preliminary work for the MX experiment and with the acquisition of additional testing facilities. Among the significant achievements was the construction and operation of a 27-cm-bore coil to its short-sample limit of 7-T at the windings. The coil was wound with a 100-m length of 67,507- filament Nb$sub 3$Sn conductor. (auth)

Cornish, D.N.; Harvey, A.R.; Nelson, R.L.; Taylor, C.E.; Zbasnik, J.P.

1975-10-24T23:59:59.000Z

364

Kerncentrale Borssele na 2013 Gevolgen van beindiging of voortzetting  

E-Print Network (OSTI)

the synthesis of MX2 monolayers, such as MoS2, WS2, MoSe2, MoTe2, TiS2, TaS2, TaSe2, NiTe2, and ZrS2.4­6 Bulk MoX associated with the increase in ionic radius of X. We also note that the lattice constants of MoX2 and WX2 are very close to each other, indicating that synthe- sizing MoX2-WX2 heterostructures might allow one

365

Present status of mirror stability theory  

SciTech Connect

A status report of microinstability as it applies to 2XIIB and MX theory for mirror machines is presented. It is shown that quasilinear computations reproduce many of the parameters observed in the 2XIIB experiment. In regard to large mirror machines, there are presented detailed calculations of the linear theory of the drift cyclotron loss-cone mode, with inhomogeneous geometry and nonlinear diffusive effects. Further, the stability of a mirror machine to the Alfven ion-cyclotron instability is assessed, and the Baldwin- Callen diffusion is estimated for a spatially varying plasma. (auth)

Baldwin, D. E.; Berk, H. L.; Byers, J. A.

1976-02-11T23:59:59.000Z

366

WWW Database of Models of Accretion Disks Irradiated by The Central Star  

E-Print Network (OSTI)

We announce the release of a catalog of physical models of irradiated accretion disks around young stars based on the modelling techniques by D'Alessio et al. The WWW catalog includes ~ 3000 disk models for different central stars, disk sizes, inclinations, dust contents and mass accretion rates. For any of them, radial profiles of disk physical parameters and synthetic spectral energy distributions can be browsed and downloaded to compare with observations. It can be accessed at http://www-cfa.harvard.edu/youngstars/dalessio/ (US), http://www.astrosmo.unam.mx/~dalessio/ (Mexico), and at http://www.laeff.esa.es/models/dalessio/ (Spain).

Paola D'Alessio; Bruno Merin; Nuria Calvet; Lee Hartmann; Benjamin Montesinos

2004-12-14T23:59:59.000Z

367

Visio-LHCONE VRF 2012-07-29.vsd  

NLE Websites -- All DOE Office Websites (Extended Search)

GARR (Italy) GARR (Italy) CNAF-T1:131.154.128.0/17 INFN Napoli T2: 90.147.67.0/24 INFN Bari (T2): 90.147.66.0/24 212.189.205.0/24 INFN Roma1 (T2): 141.108.35.0/24 141.108.36.0/22 INFN Pisa (T2: 192.135.9.0/24 193.205.76.0/23 V111 10Gbps PIC 6500 V111 1G GEANT T1600 SARA (Netherlands) NL T1: ASGC M320 1/10G V111 20Gbps 10G to T1 1G -> 10G to T2s Geneva T1600 CERN VRF peering VLAN 111 to GEANT LHCONE VRF CERN VRF peering USLHCNet CoreDirector GEANT Alcatel MCC SURFNet xxxx 10G/10G V111 10/10G NORDUNet MX480 20G shared, NORDUnet 10G shared, NORDUnet to MAN LAN SARA MX960 NIKHEF Deel MLX16 xxxx RENATER (France) GRIF-IN2P3.Orsay: 134.158.72.0/23, 134.158.78.0/24 CC-IN2P3, Lyon: 134.158.83.0/24, 134.158.104.0/21 CEA, Orsay: 134.158.132.0/24 GRIF-IN2P3, Orsay: 134.158.159.0/24, 134.158.188.0/24, 134.158.195.0/24

368

Co-existence of Gravity and Antigravity: The Unification of Dark Matter and Dark Energy  

E-Print Network (OSTI)

Massive gravity with second and fourth derivatives is shown to give both attractive and repulsive gravities. In contrast to the attractive gravity correlated with the energy-momentum tensor, the repulsive gravity is related to a fixed mass $m_x$, which equals a spin-dependent factor $f_\\sigma$ times the graviton mass. Therefore, particles with energy below $m_x$ are both dark matter and dark energy: Their overall gravity is attractive with normal matter but repulsive among themselves. Detailed analyses reveal that this unified dark scenario can properly account for the observed dark matter/energy phenomena: galaxy rotation curves, transition from early cosmic deceleration to recent acceleration; and naturally overcome other dark scenarios' difficulties: the substructure and cuspy core problems, the difference of dark halo distributions in galaxies and clusters, and the cosmic coincidence. Very interestingly, Dirac particles have $f_\\sigma=1/\\sqrt 2$, all bosonic matter particles have $f_\\sigma=0$, and the only exceptional boson is the graviton itself, which may have $f_\\sigma>1$.

Xiang-Song Chen

2005-06-03T23:59:59.000Z

369

Actinide halide complexes  

DOE Patents (OSTI)

A compound is described of the formula MX[sub n]L[sub m] wherein M is a metal atom selected from the group consisting of thorium, plutonium, neptunium or americium, X is a halide atom, n is an integer selected from the group of three or four, L is a coordinating ligand selected from the group consisting of aprotic Lewis bases having an oxygen-, nitrogen-, sulfur-, or phosphorus-donor, and m is an integer selected from the group of three or four for monodentate ligands or is the integer two for bidentate ligands, where the sum of n+m equals seven or eight for monodentate ligands or five or six for bidentate ligands. A compound of the formula MX[sub n] wherein M, X, and n are as previously defined, and a process of preparing such actinide metal compounds are described including admixing the actinide metal in an aprotic Lewis base as a coordinating solvent in the presence of a halogen-containing oxidant.

Avens, L.R.; Zwick, B.D.; Sattelberger, A.P.; Clark, D.L.; Watkin, J.G.

1992-11-24T23:59:59.000Z

370

Actinide halide complexes  

DOE Patents (OSTI)

A compound of the formula MX.sub.n L.sub.m wherein M is a metal atom selected from the group consisting of thorium, plutonium, neptunium or americium, X is a halide atom, n is an integer selected from the group of three or four, L is a coordinating ligand selected from the group consisting of aprotic Lewis bases having an oxygen-, nitrogen-, sulfur-, or phosphorus-donor, and m is an integer selected from the group of three or four for monodentate ligands or is the integer two for bidentate ligands, where the sum of n+m equals seven or eight for monodentate ligands or five or six for bidentate ligands, a compound of the formula MX.sub.n wherein M, X, and n are as previously defined, and a process of preparing such actinide metal compounds including admixing the actinide metal in an aprotic Lewis base as a coordinating solvent in the presence of a halogen-containing oxidant, are provided.

Avens, Larry R. (Los Alamos, NM); Zwick, Bill D. (Santa Fe, NM); Sattelberger, Alfred P. (Los Alamos, NM); Clark, David L. (Los Alamos, NM); Watkin, John G. (Los Alamos, NM)

1992-01-01T23:59:59.000Z

371

A Statistical Solar Flare Forecast Method  

E-Print Network (OSTI)

A Bayesian approach to solar flare prediction has been developed, which uses only the event statistics of flares already observed. The method is simple, objective, and makes few ad hoc assumptions. It is argued that this approach should be used to provide a baseline prediction for certain space weather purposes, upon which other methods, incorporating additional information, can improve. A practical implementation of the method for whole-Sun prediction of Geostationary Observational Environment Satellite (GOES) events is described in detail, and is demonstrated for 4 November 2003, the day of the largest recorded GOES flare. A test of the method is described based on the historical record of GOES events (1975-2003), and a detailed comparison is made with US National Oceanic and Atmospheric Administration (NOAA) predictions for 1987-2003. Although the NOAA forecasts incorporate a variety of other information, the present method out-performs the NOAA method in predicting mean numbers of event days, for both M-X and X events. Skill scores and other measures show that the present method is slightly less accurate at predicting M-X events than the NOAA method, but substantially more accurate at predicting X events, which are important contributors to space weather.

M. S. Wheatland

2005-05-14T23:59:59.000Z

372

Perspectives on effectively constraining the location of a massive trans-Plutonian obejct with the New Horizons spacecraft: a sensitivity analysis  

E-Print Network (OSTI)

The radio tracking apparatus of the New Horizons spacecraft, currently traveling to the Pluto system where its arrival is scheduled for July 2015, should be able to reach an accuracy of 10 m (range) and 0.1 mm s^-1 (range-rate) over distances up to 50 au. This should allow to effectively constrain the location of a putative trans-Plutonian massive object, dubbed Planet X (PX) hereafter, whose existence has recently been postulated for a variety of reasons connected with, e.g., the architecture of the Kuiper belt and the cometary flux from the Oort cloud. Traditional scenarios involve a rock-ice planetoid with mX = 0.7mE at some 100 - 200 au, or a Jovian body with mX = 5mJ at about 10,000 - 20,000 au; as a result of our preliminary sensitivity analysis, they should be detectable by New Horizons since they would impact its range at a km level or so over a time span six years long. Conversely, range residuals statistically compatible with zero having an amplitude of 10 m would imply that PX, if it exists, could ...

Iorio, Lorenzo

2013-01-01T23:59:59.000Z

373

Review On the Free Energy That Drove Primordial Anabolism  

E-Print Network (OSTI)

Abstract: A key problem in understanding the origin of life is to explain the mechanism(s) that led to the spontaneous assembly of molecular building blocks that ultimately resulted in the appearance of macromolecular structures as they are known in modern biochemistry today. An indispensable thermodynamic prerequisite for such a primordial anabolism is the mechanistic coupling to processes that supplied the free energy required. Here I review different sources of free energy and discuss the potential of each form having been involved in the very first anabolic reactions that were fundamental to increase molecular complexity and thus were essential for life.

Michael Kaufmann

2009-01-01T23:59:59.000Z

374

Final Report DOE Award # DE-FG02-05ER46218, Texas Tech University ???¢????????Cyclic Macromolecules: Dynamics and Nonlinear Rheology???¢???????  

SciTech Connect

The work described in the present report had the original goal to produce large, entangled, ring polymers that were uncontaminated by linear chains and to characterize by rheological methods the dynamics of these rings. While the work fell short of this specific goal, the outcomes of the research performed under support from this grant provided novel macromolecular synthesis methods, new separation methods for ring and linear chains, and novel rheological data on bottle brush polymers, wedge polymers and dendron-based ring molecules. The grant funded a total of 8 archival manuscripts and one patent, all of which are attached to the present report.

Gregory B. McKenna; Robert H. Grubbs; Julia A. Kornfield

2012-04-25T23:59:59.000Z

375

A structural role for the PHP domain in E. coli DNA polymerase III  

E-Print Network (OSTI)

associated with DNA polymerases of diverse origins. Nucleic Acids Res 1998, 26:37463752. macromolecular crystal structures. Acta Crystallogr D Biol Crystallogr 2011, 67:355367. 37. Afonine PV, Grosse-Kunstleve RW, Echols N, Headd JJ, Moriarty NW... available for redistributiondomains and protein three-dimensional structure. Nucleic Acids Res 2013, 41(Database issue):D34852. 32. Price MN, Dehal PS, Arkin AP: FastTree 2approximately maximum- likelihood trees for large alignments. PLoS One 2010, 5:e9490...

Barros, Tiago; Guenther, Joel; Kelch, Brian; Anaya, Jordan; Prabhakar, Arjun; ODonnell, Mike; Kuriyan, John; Lamers, Meindert H

2013-05-14T23:59:59.000Z

376

Bioprocessing of lignite coals using reductive microorganisms. Final technical report, September 30, 1988--March 29, 1992  

SciTech Connect

In order to convert lignite coals into liquid fuels, gases or chemical feedstock, the macromolecular structure of the coal must be broken down into low molecular weight fractions prior to further modification. Our research focused on this aspect of coal bioprocessing. We isolated, characterized and studied the lignite coal-depolymerizing organisms Streptomyces viridosporus T7A, Pseudomonas sp. DLC-62, unidentified bacterial strain DLC-BB2 and Gram-positive Bacillus megaterium strain DLC-21. In this research we showed that these bacteria are able to solubilize and depolymerize lignite coals using a combination of biological mechanisms including the excretion of coal solublizing basic chemical metabolites and extracellular coal depolymerizing enzymes.

Crawford, D.L.

1992-03-29T23:59:59.000Z

377

Bioprocessing of lignite coals using reductive microorganisms  

Science Conference Proceedings (OSTI)

In order to convert lignite coals into liquid fuels, gases or chemical feedstock, the macromolecular structure of the coal must be broken down into low molecular weight fractions prior to further modification. Our research focused on this aspect of coal bioprocessing. We isolated, characterized and studied the lignite coal-depolymerizing organisms Streptomyces viridosporus T7A, Pseudomonas sp. DLC-62, unidentified bacterial strain DLC-BB2 and Gram-positive Bacillus megaterium strain DLC-21. In this research we showed that these bacteria are able to solubilize and depolymerize lignite coals using a combination of biological mechanisms including the excretion of coal solublizing basic chemical metabolites and extracellular coal depolymerizing enzymes.

Crawford, D.L.

1992-03-29T23:59:59.000Z

378

Complexation of DNA with Cationic Surfactant  

E-Print Network (OSTI)

Transfection of an anionic polynucleotide through a negatively charged membrane is an important problem in genetic engineering. The direct association of cationic surfactant to DNA decreases the effective negative charge of the nucleic acid, allowing the DNA-surfactant complex to approach a negatively charged membrane. The paper develops a theory for solutions composed of polyelectrolyte, salt, and ionic surfactant. The theoretical predictions are compared with the experimental measurements. PACS.05.70.Ce- Thermodynamic functions and equations of state PACS.61.20.Qg- Structure of associated liquids: electrolytes, molten salts, etc. PACS.61.25.Hq- Macromolecular and polymer solutions; polymer melts; swelling Corresponding author;

Paulo S. Kuhn; Marcia C. Barbosa; Yan Levin

1999-01-01T23:59:59.000Z

379

Analysis of Protein-RNA and Protein-Peptide Interactions in Equine Infectious Anemia  

Science Conference Proceedings (OSTI)

Macromolecular interactions are essential for virtually all cellular functions including signal transduction processes, metabolic processes, regulation of gene expression and immune responses. This dissertation focuses on the characterization of two important macromolecular interactions involved in the relationship between Equine Infectious Anemia Virus (EIAV) and its host cell in horse: (1) the interaction between the EIAV Rev protein and its binding site, the Rev-responsive element (RRE) and (2) interactions between equine MHC class I molecules and epitope peptides derived from EIAV proteins. EIAV, one of the most divergent members of the lentivirus family, has a single-stranded RNA genome and carries several regulatory and structural proteins within its viral particle. Rev is an essential EIAV regulatory encoded protein that interacts with the viral RRE, a specific binding site in the viral mRNA. Using a combination of experimental and computational methods, the interactions between EIAV Rev and RRE were characterized in detail. EIAV Rev was shown to have a bipartite RNA binding domain contain two arginine rich motifs (ARMs). The RRE secondary structure was determined and specific structural motifs that act as cis-regulatory elements for EIAV Rev-RRE interaction were identified. Interestingly, a structural motif located in the high affinity Rev binding site is well conserved in several diverse lentiviral genoes, including HIV-1. Macromolecular interactions involved in the immune response of the horse to EIAV infection were investigated by analyzing complexes between MHC class I proteins and epitope peptides derived from EIAV Rev, Env and Gag proteins. Computational modeling results provided a mechanistic explanation for the experimental finding that a single amino acid change in the peptide binding domain of the quine MHC class I molecule differentially affectes the recognitino of specific epitopes by EIAV-specific CTL. Together, the findings in this dissertation provide novel insights into the strategy used by EIAV to replicate itself, and provide new details about how the host cell responds to and defends against EIAV upon the infection. Moreover, they have contributed to the understanding of the macromolecular recognition events that regulate these processes.

Jae-Hyung Lee

2007-12-01T23:59:59.000Z

380

Final Progress Report  

SciTech Connect

The BIOMOL grant was for 'Local System Support for PDB Biological Unit Search and Display' to augment Rasmol's [Bernstein 2000] [Sayle, Milner-White 1995] existing macromolecular display functions with new capabilities by taking advantage of recent increases in local computing power in order to move functionality that is now scattered among various local and remote systems into one local package. Work included new algorithms for molecular surface display, an extended format for Protein Data Bank Entries, work on issues relating to the integration of multiple diffraction images formats.

Herbert J. Bernstein

2012-02-06T23:59:59.000Z

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


381

Browse by Discipline -- E-print Network Subject Pathways: Fossil Fuels --  

Office of Scientific and Technical Information (OSTI)

Z Z Zaki, Mohammed Javeed (Mohammed Javeed Zaki) - Department of Computer Science, Rensselaer Polytechnic Institute Zand, Robert (Robert Zand) - Macromolecular Science and Engineering Center & Department of Biological Chemistry, University of Michigan Zandstra, Peter W. (Peter W. Zandstra) - Department of Chemical Engineering and Applied Chemistry, University of Toronto Zhang, Aidong (Aidong Zhang) - Department of Computer Science and Engineering, State University of New York at Buffalo Zhang, David Yu (David Yu Zhang) - Department of Bioengineering, Rice University Zhang, Michael Q.(Michael Q.Zhang).- Watson School of Biological Sciences, Cold Spring Harbor Laboratory Zhang, Yang (Yang Zhang) - Departments of Computational Medicine and Bioinformatics & Biological Chemistry, University of Michigan

382

SSRL HEADLINES Nov 2001  

NLE Websites -- All DOE Office Websites (Extended Search)

5 November, 2001 5 November, 2001 _____________________________________________________________________________ Contents of This Issue: Science Highlight - Complex Environmental Systems: Heavy Metals, Mineral Surfaces, and Biofilms DOE Under Secretary Visits SLAC High Magnetic Field Facility Now Fully Functional FY2002 Experimental Run Off to a Good Start Crystallography Beam Lines Up and Running with New Developments Janos Hajdu Discusses Interest in FEL Project at SLAC User Research Administration Announcements Job Opportunities at SSRL 1. Science Highlight - Complex Environmental Systems: Heavy Metals, Mineral Surfaces, and Biofilms (contact: Alexis Templeton, alexis@pangea.stanford.edu) Microbial biofilms are widespread in soils and form microenvironments in which aqueous chemical conditions differ from that of the host ground

383

DOE Science Showcase - Bayesian Inference | OSTI, US Dept of Energy, Office  

Office of Scientific and Technical Information (OSTI)

Bayesian Inference Bayesian Inference Credit: LANL For 250 years, the use of Bayesian inference methods has consistently been an important tool in estimating probabilities, given knowledge of certain related probabilities. These methods essentially provide a mathematical framework for rationally and coherently propagating uncertainty. The use of Bayesian statistical methods has increased in recent years due to the availability of simulation-based computational tools for implementation and form the basis of a wide variety of predictive modeling systems throughout DOE laboratories. DOE researchers are incorporating Bayesian inference in research areas such as crystallography, medical diagnostic and astronomical imaging, threat detection, groundwater transport modeling, building energy

384

SSRL HEADLINES August 2008  

NLE Websites -- All DOE Office Websites (Extended Search)

2 August, 2008 2 August, 2008 __________________________________________________________________________ Contents of this Issue: Science Highlight - Lensless Nanoscale Imaging: Combining MAD Crystallography with X-Ray Holography Small, Fast, and Holographic Ajay Virkar to Receive 2008 Klein Professional Development Award How Plants Do It: Light, Oxygen, Action! Call for User Science Poster Abstracts for Joint SSRL/LCLS Users' Meeting and Workshops, October 15-18, 2008 Users Needed to Serve on the SSRL Users' Organization Executive Committee Accelerator Physics Update on 500-mA Operation Updates to the Microprobe at BL2-3 LCLS Experiment Proposal Deadline and Developments SSRL Celebrates Another Successful Run User Research Administration Update __________________________________________________________________________

385

Theses | Stanford Synchrotron Radiation Lightsource  

NLE Websites -- All DOE Office Websites (Extended Search)

Theses Theses 2013 Elizabeth L. Baxter, "Uncovering Allostery in a Uniquely Folded Metalloprotein", University of California San Diego, 2013; Advisor: P. A. Jennings Martja A. Beckwith, "X-ray Absorption and Emission Spectroscopy of Manganese Complexes Relevant to Photosystem II", Cornell University, 2013; Advisor: S. DeBeer Beate Fulda, "Changes in Copper and Cadmium Solubility and Speciation Induced by Soil Redox Dynamics - Competitive Metal Sulfide Formation and Interactions with Natural Organic Matter", ETH Zurich, 2013; Advisor: R. Kretzschmar Thomas D. Grant, "Understanding the Structure of Eukaryotic Glutaminyl-TRNA Synthetase: Combining X-ray Crystallography with Statistical Evaluations of Small Angle Scattering Data", State University of New York Buffalo, 2013;

386

Resume  

NLE Websites -- All DOE Office Websites (Extended Search)

9, 2012 9, 2012 Boguslaw P. Nocek | Phone: 630-935-0793 | Email: bnocek@anl.gov 1 of 8 BOGUSLAW P. NOCEK, Ph.D. Biosciences Division, Argonne National Laboratory Phone: 630-2523874 | Email: bnocek@anl.gov ................................................................................................................................................ RESEARCH INTERESTS I am interested in using X-ray crystallography to understand biological processes in atomic detail. I would like to direct my structural biology skills toward challenging projects to address questions central to biological systems and understanding their functions. A. RESEARCH EXPERIENCE 2008-Present Assistant scientist/X-ray Crystallographer Center for Structural Genomics of Infectious Diseases, Argonne National

387

Community Geothermal Technology Program: Electrodeposition of minerals in geothermal brine  

DOE Green Energy (OSTI)

Objective was to study the materials electrodeposited from geothermal brine, from the HGP-A well in Puna, Hawaii. Due to limitations, only one good set of electrodeposited material was obtained; crystallography indicates that vaterite forms first, followed by calcite and then perhaps aragonite as current density is increased. While the cost to weight ratio is reasonable, the deposition rate is very slow. More research is needed, such as reducing the brittleness. The electrodeposited material possibly could be used as building blocks, tables, benches, etc. 49 figs, 4 tabs, 7 refs.

Not Available

1990-12-31T23:59:59.000Z

388

Thermodynamics and Structure of Plutonium Alloys  

Science Conference Proceedings (OSTI)

The goal of this project was to investigate the chemical and structural effects of gallium and impurity elements, iron and nickel, on the phase behavior and crystallography of Pu-Ga alloys. This was done utilizing a theoretical chemical approach to predict binary and ternary alloy energetics, phase stability, and transformations. The modeling results were validated with experimental data derived from the synthesis of selected alloys and advanced characterization tools. The ultimate goal of this work was to develop a robust predictive capability for studying the thermodynamics and the structure-properties relationships in complex materials of high relevance to the Laboratory and DOE mission.

Allen, P G; Turchi, P A; Gallegos, G F

2004-01-30T23:59:59.000Z

389

Microscopic linear liquid streams in vacuum: Injection of solvated biological samples into X-ray free electron lasers  

SciTech Connect

Microscopic linear liquid free-streams offer a means of gently delivering biological samples into a probe beam in vacuum while maintaining the sample species in a fully solvated state. By employing gas dynamic forces to form the microscopic liquid stream (as opposed to a conventional solid-walled convergent nozzle), liquid free-streams down to 300 nm diameter have been generated. Such 'Gas Dynamic Virtual Nozzles' (GDVN) are ideally suited to injecting complex biological species into an X-ray Free Electron Laser (XFEL) to determine the structure of the biological species via Serial Femtosecond Crystallography (SFX). GDVN injector technology developed for this purpose is described.

Doak, R. B.; DePonte, D. P.; Nelson, G.; Camacho-Alanis, F.; Ros, A.; Spence, J. C. H.; Weierstall, U. [Arizona State University, Tempe, AZ 85287-1504 (United States); Centre for Free-Electron Laser Science, DESY, D-22607 Hamburg (Germany); Arizona State University, Tempe, AZ 85287-1504 (United States)

2012-11-27T23:59:59.000Z

390

Uranyl Sequestration: Synthesis and Structural Characterization of Uranyl Complexes with a Tetradentate Methylterephthalamide Ligand  

Science Conference Proceedings (OSTI)

Uranyl complexes of a bis(methylterephthalamide) ligand (LH{sub 4}) have been synthesized and characterized by X-ray crystallography. The structure is an unexpected [Me{sub 4}N]{sub 8}[L(UO{sub 2})]{sub 4} tetramer, formed via coordination of the two MeTAM units of L to two uranyl moieties. Addition of KOH to the tetramer gave the corresponding monomeric uranyl methoxide species [Me{sub 4}N]K{sub 2}[LUO{sub 2}(OMe)].

Ni, Chengbao; Shuh, David; Raymond, Kenneth

2011-03-07T23:59:59.000Z

391

Non-hinge-binding pyrazolo[1,5-a]pyrimidines as potent B-Raf kinase inhibitors  

SciTech Connect

As part of our research effort to discover B-Raf kinase inhibitors, we prepared a series of C-3 substituted N-(3-(pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamides. X-ray crystallography studies revealed that one of the more potent inhibitors (10n) bound to B-Raf kinase without forming a hinge-binding hydrogen bond. With basic amine residues appended to C-3 aryl residues, cellular activity and solubility were enhanced over previously described compounds of this class.

Berger, Dan M.; Torres, Nancy; Dutia, Minu; Powell, Dennis; Ciszewski, Greg; Gopalsamy, Ariamala; Levin, Jeremy I.; Kim, Kyung-Hee; Xu, Weixin; Wilhelm, James; Hu, YongBo; Collins, Karen; Feldberg, Larry; Kim, Steven; Frommer, Eileen; Wojciechowicz, Donald; Mallon, Robert; (Wyeth)

2010-11-19T23:59:59.000Z

392

Oxidation reactivity channels for 2-(pyridin-2-yl)-N,N-diphenylacetamides  

Science Conference Proceedings (OSTI)

Synthetic routes to 2-(pyridin-2-yl)-N,N-diphenylacetamide and 2-(6-methylpyridin-2-yl)-N,N-diphenylacetamide are described along with results from the chemical oxidation of these compounds with peracetic acid, m-chloroperbenzoic acid, and OXONE. In each case, oxidations generate four products in varying amounts depending on the oxidant and reaction conditions. Each product has been characterized by spectroscopic methods and the molecular structures of several of the new compounds have been confirmed by X-ray crystallography.

Pailloux, Sylvie; Binyamin, Iris; Deck, Lorraine M.; Rapko, Brian M.; Hay, Benjamin P.; Duesler, Eileen N.; Paine, Robert T.

2007-11-01T23:59:59.000Z

393

Oxidation Reactivity Channels for 2-(Pyridin-2-yl)-N,N-diphenyl-acetamides  

Science Conference Proceedings (OSTI)

Synthetic routes to 2-(pyridin-2-yl)-N,N-diphenylacetamide and 2-(6-methylpyridin-2-yl)-N,N-diphenyl-acetamide are described along with results from the chemical oxidation of these compounds with peracetic acid, m-chloroperbenzoic acid, and OXONE. In each case, oxidations generate four products in varying amounts depending on the oxidant and reaction conditions. Each product has been characterized by spectroscopic methods and the molecular structures of several of the new compounds have been confirmed by X-ray crystallography.

Pailloux, Sylvie [University of New Mexico, Albuquerque; Binyamin, Iris [University of New Mexico, Albuquerque; Kim, Sung-jun [University of New Mexico, Albuquerque; Deck, Lorraine M. [University of New Mexico, Albuquerque; Rapko, Brian M. [Pacific Northwest National Laboratory (PNNL); Hay, Benjamin [ORNL; Duesler, Eileen N. [University of New Mexico, Albuquerque; Paine, Robert T. [University of New Mexico, Albuquerque

2007-11-01T23:59:59.000Z

394

Understanding and predicting metallic whisker growth and its effects on reliability : LDRD final report.  

Science Conference Proceedings (OSTI)

Tin (Sn) whiskers are conductive Sn filaments that grow from Sn-plated surfaces, such as surface finishes on electronic packages. The phenomenon of Sn whiskering has become a concern in recent years due to requirements for lead (Pb)-free soldering and surface finishes in commercial electronics. Pure Sn finishes are more prone to whisker growth than their Sn-Pb counterparts and high profile failures due to whisker formation (causing short circuits) in space applications have been documented. At Sandia, Sn whiskers are of interest due to increased use of Pb-free commercial off-the-shelf (COTS) parts and possible future requirements for Pb-free solders and surface finishes in high-reliability microelectronics. Lead-free solders and surface finishes are currently being used or considered for several Sandia applications. Despite the long history of Sn whisker research and the recently renewed interest in this topic, a comprehensive understanding of whisker growth remains elusive. This report describes recent research on characterization of Sn whiskers with the aim of understanding the underlying whisker growth mechanism(s). The report is divided into four sections and an Appendix. In Section 1, the Sn plating process is summarized. Specifically, the Sn plating parameters that were successful in producing samples with whiskers will be reviewed. In Section 2, the scanning electron microscopy (SEM) of Sn whiskers and time-lapse SEM studies of whisker growth will be discussed. This discussion includes the characterization of straight as well as kinked whiskers. In Section 3, a detailed discussion is given of SEM/EBSD (electron backscatter diffraction) techniques developed to determine the crystallography of Sn whiskers. In Section 4, these SEM/EBSD methods are employed to determine the crystallography of Sn whiskers, with a statistically significant number of whiskers analyzed. This is the largest study of Sn whisker crystallography ever reported. This section includes a review of previous literature on Sn whisker crystallography. The overall texture of the Sn films was also analyzed by EBSD. Finally, a short Appendix is included at the end of this report, in which the X-Ray diffraction (XRD) results are discussed and compared to the EBSD analyses of the overall textures of the Sn films. Sections 2, 3, and 4 have been or will be submitted as stand-alone papers in peer-reviewed technical journals. A bibliography of recent Sandia Sn whisker publications and presentations is included at the end of the report.

Michael, Joseph Richard; Grant, Richard P.; Rodriguez, Mark Andrew; Pillars, Jamin; Susan, Donald Francis; McKenzie, Bonnie Beth; Yelton, William Graham

2012-01-01T23:59:59.000Z

395

Scale effects in the convoluted thermal/spatial statistics of plasticity initiation in small stressed volumes during nanoindentation  

SciTech Connect

The elastic-plastic transition of crystals at small length scales can be quantitatively evaluated by the sudden discontinuities ( pop-ins ) on nanoindentation load-displacement curves. For defect-free crystals under nano-contacts, pop-in stress fluctuations result purely from the thermally activated process of homogeneous dislocation nucleation, while at intermediate contact sizes fluctuations can arise from the spatial statistics of pre-existing defects. Their convolution exhibits a distinct dependence on the stressed volume; the transition between these two is found to depend on dislocation density and crystallography.

Li, Tianlei [ORNL; Bei, Hongbin [ORNL; Morris, James R. [University of Tennessee, Knoxville (UTK) & Oak Ridge National Laboratory (ORNL); George, Easo P [ORNL; Gao, Yanfei [ORNL

2012-01-01T23:59:59.000Z

396

Nuclear chemistry. Annual report, 1974  

SciTech Connect

The 1974 Nuclear Chemistry Annual Report contains information on research in the following areas: nuclear science (nuclear spectroscopy and radioactivity, nuclear reactions and scattering, nuclear theory); chemical and atomic physics (heavy ion-induced atomic reactions, atomic and molecular spectroscopy, photoelectron spectroscopy and hyperfine interactions); physical, inorganic, and analytical chemistry (x-ray crystallography, physical and inorganic chemistry, geochemistry); and instrumentation. Thesis abstracts, 1974 publication titles, and an author index are also included. Papers having a significant amount of information are listed separately by title. (RWR)

Conzett, H.E.; Edelstein, N.M.; Tsang, C.F. (eds.)

1975-07-01T23:59:59.000Z

397

Finding New Thermoelectric Compounds Using Crystallographic Data: Atomic Displacement Parameters  

DOE Green Energy (OSTI)

A new structure-property relationship is discussed which links atomic displacement parameters (ADPs) and the lattice thermal conductivity of clathrate-like compounds. For many clathrate-like compounds, in which one of the atom types is weakly bound and ''rattles'' within its atomic cage, room temperature ADP information can be used to estimate the room temperature lattice thermal conductivity, the vibration frequency of the ''rattler'', and the temperature dependence of the heat capacity. Neutron data and X-ray crystallography data, reported in the literature, are used to apply this analysis to several promising classes of thermoelectric materials.

Chakoumakos, B.C.; Mandrus, D.G.; Sales, B.C.; Sharp, J.W.

1999-08-29T23:59:59.000Z

398

A 1.5 GeV compact light source with superconducting bending magnets  

Science Conference Proceedings (OSTI)

This paper describes the design of a compact electron synchrotron light source for producing X-rays for medical imaging, protein crystallography, nano-machining and other uses up to 35 keV. The source will provide synchrotron light from six 6.9 tesla superconducting 60{degree} bending magnet stations. In addition the ring, contains conventional quadrupoles and sextupoles. The light source has a circumference of 26 meters, which permits it to be located in a variety of industrial and medical facilities.

Garren, A.A. [Particle Beam Lasers, Inc., Northridge, CA (United States)]|[Univ. of California, Los Angeles, CA (United States). Center for Advanced Accelerators]|[Lawrence Berkeley Lab., CA (United States). Accelerator and Fusion Research Div.; Cline, D.B.; Kolonko, J.J. [Particle Beam Lasers, Inc., Northridge, CA (United States)]|[Univ. of California, Los Angeles, CA (United States). Center for Advanced Accelerators; Green, M.A. [Lawrence Berkeley Lab., CA (United States). Accelerator and Fusion Research Div.; Johnson, D.E. [Particle Beam Lasers, Inc., Northridge, CA (United States); Leung, E.M.; Madura, D.D. [Martin Marietta Technologies, Inc., Rancho Bernardo, CA (United States)

1995-05-01T23:59:59.000Z

399

SSRL HEADLINES May 2001  

NLE Websites -- All DOE Office Websites (Extended Search)

1 May, 2001 1 May, 2001 _____________________________________________________________________________ Contents of This Issue: Science Highlight - Working Together in Harmony at the Molecular Level: Cooperativity in Protein Function Regulation Article Highlights SSRL Faculty Research on Brain Communications Welch Foundation Visit WHO Visits SSRL Request for Nominations for Annual Farrel W. Lytle Award User Research Administration Announcements Job Opportunities at SSRL 1. Science Highlight - Working Together in Harmony at the Molecular Level: Cooperativity in Protein Function Regulation (contacts: Evan Kantrowitz, evan.kantrowitz@bc.edu, and Hiro Tsuruta, tsuruta@ssrl.slac.stanford.edu) The combined use of x-ray crystallography and solution small angle x-ray scattering has enabled a research collaboration involving scientists from

400

Scientific Software  

NLE Websites -- All DOE Office Websites (Extended Search)

Science & Education: Science & Education: Science Highlights Conferences Seminars & Meetings Publications Annual Reports APS Upgrade Courses and Schools Graduate Programs Scientific Software Subscribe to APS Recent Publications rss feed Scientific Software Scientists and researchers at the APS develop custom scientific software to help with acquisition and analysis of beamline data. Several packages are available for a variety of platforms and uses. General Diffraction Powder Diffraction Crystallography Synchrotron Radiation / Optical Elements Time-Resolved EXAFS Visualization / Data Processing Detector Controls General Diffraction fprime FPRIME/Absorb This provides utilities for computing approximate x-ray scattering cross sections (f, f' and f") for individual elements using the Cromer & Liberman

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401

Nucleic Acid Database: a Repository of Three-Dimensional Information about Nucleic Acids  

DOE Data Explorer (OSTI)

The Nucleic Acid Database (NDB) provides 3-D structural information about nucleic acids. It is a relational database designed to facilitate the easy search for nucleic acid structures using any of the stored primary or derived structural features. Reports can then be created describing any properties of the selected structures and structures may be viewed in several different formats, including the mmCIF format, the NDB Atlas format, the NDB coordinate format, or the PDB coordinate format. Browsing the images of the structures can also be done through the galleries of the X-ray Atlas or the NMR Atlas, available on this website. The images are created directly from coordinates in the NDB repository. More than 3500 structures can be searched, viewed, and included in preformatted reports.This website also includes a number of specialized tools and interfaces. The NDB maintains the mmCIF Web site (macromolecular Crystallographic Information File), the IUCr-approved data representation for macromolecular structures. (Specialized Interface)

Berman, H.M.; Olson, W.K.; Beveridge, D.L.; Westbrook, J.; Gelbin, A.; Demeny, T.; Hsieh, S.H.; Srinivasan, A.R.; Schneider, B.

402

Regioselective thermolysis of 1,4-diphenylbutane enhanced by restricted radical mobility  

Science Conference Proceedings (OSTI)

Thermal decomposition of coal has been postulated to involve the formation of free radicals by processes such as the homolysis of aliphatic or ether-containing bridges which connect polycyclic aromatic units into a macromolecular structure. Understanding the thermal reactivity of coal is important in the study of pyrolysis, liquefaction, and coking. Mechanistic insights into the chemical reactivity of coal at the molecular level can be gained from the study of model compounds which represent structural features in coal. However, radicals generated in a cross-linked macromolecular material such as coal may experience restricted mobility when the radical center remains bound to the residual molecular structure. To model the effects of restricted radical mobility on thermally induced decomposition reactions, thermolyses of model compounds covalently attached to an inert support have been studied. Thermolysis of surface-immobilized 1,2-diphenylethane showed a substantially altered free radical reaction pathway compared with the corresponding liquid phase behavior, while thermolysis of surface-immobilized 1,3-diphenylpropane ({approximately}DPP) showed unexpected regioselectivity resulting from conformational restrictions on hydrogen transfer reactions as the surface coverage of {approximately}DPP decreased. In order to further explore the regionselectivity of hydrogen transfer induced by restricted diffusion, the thermolysis of surface-immobilized 1,4-diphenylbutane ({approximately}DPB) is being examined.

Britt, P.F.; Buchanan, A.C. III; Biggs, C.A. (Oak Ridge National Lab., TN (USA))

1989-01-01T23:59:59.000Z

403

June 2013  

NLE Websites -- All DOE Office Websites (Extended Search)

June 2013 Print June 2013 Print Alastair MacDowell, Beamline Scientist, Experimental Systems Group Alastair MacDowell Beamline scientist Alastair MacDowell has pioneered several hard x-ray science programs in his 17 years at the ALS. MacDowell began his career here with a directive to prove the viability of providing hard x-ray capabilities. Early in his tenure he did just that, working to establish the micro-XAS program at Beamline 10.3.2 and the x-ray microdiffraction program that ended up at Beamline 12.3.2, both of which are still in operation today. MacDowell went on to develop many other ALS hard x-ray programs. He also proved that protein crystallography was tenable on bend-magnet beamlines, which lent vital support to the ALS superbend project and the five protein crystallography beamlines subsequently established at the ALS. MacDowell conducted the initial tomographic experiments on Beamline 7.3.3, establishing a program that moved to Beamline 8.3.2, and high-pressure x-ray diffraction experiments that led to an endstation at Beamline 12.2.2. He also implemented small-angle x-ray scattering (SAXS) at the ALS, which has remained at Beamline 7.3.3. Being involved in so many programs has its pros and cons, says MacDowell.

404

Polarized Neutron in Structural Biology Present and Future Outlook  

SciTech Connect

Hydrogen has a strong polarization-dependent neutron scattering cross section. This property has been exploited in the study of soft matters, especially biological macromolecules. When a polarized neutron beam is scattered off a polarized hydrogenous sample, the otherwise large hydrogen incoherent cross section is drastically reduced while the coherent signal is significantly increased. Past experiments have demonstrated the potentials and benefits of polarized neutron scattering from soft materials. The main technical challenge of polarized neutron scattering from biological matters lies at sample polarization. Dynamic nuclear polarization is a proven yet rather sophisticated technique. Its complexity is one of the main reasons for the technique's slow adoption. The future of polarized neutron scattering in biology may rest largely in neutron protein crystallography. Polarization of protein crystals is much easier to accomplish, since protein crystals are typically rather small (<<1 mm) and only require small and easy- to-operate polarization apparatuses. In addition, the high resolution nature of neutron protein crystallography means that we will be able to study individual atoms using the polarized neutron scattering technique.

Zhao, Jinkui [ORNL; Robertson, Lee [ORNL; Herwig, Kenneth W [ORNL; Crabb, Don [University of Virginia

2013-01-01T23:59:59.000Z

405

Page not found | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

71 - 4880 of 8,172 results. 71 - 4880 of 8,172 results. Download CX-006725: Categorical Exclusion Determination Whispered Dismantle and Relocation From 58-MX-10 CX(s) Applied: B1.31, B3.11 Date: 03/19/2010 Location(s): Casper, Wyoming Office(s): RMOTC http://energy.gov/nepa/downloads/cx-006725-categorical-exclusion-determination Download CX-006683: Categorical Exclusion Determination Geothermal Technologies Program CX(s) Applied: B3.1, B5.2 Date: 12/30/2009 Location(s): Casper, Wyoming Office(s): RMOTC http://energy.gov/nepa/downloads/cx-006683-categorical-exclusion-determination Download CX-006674: Categorical Exclusion Determination Replace Down Guy Rod 24-SHX-3 CX(s) Applied: B1.3 Date: 12/01/2009 Location(s): Casper, Wyoming Office(s): RMOTC http://energy.gov/nepa/downloads/cx-006674-categorical-exclusion-determination

406

Microbial Electrolysis Cells (MECs) for High Yield Hydrogen (H2) Production from Biodegradable Materials  

NLE Websites -- All DOE Office Websites (Extended Search)

Microbial Electrolysis Cells (MECs) for High Yield H Microbial Electrolysis Cells (MECs) for High Yield H 2 Production from Biodegradable Materials Zhiyong "Jason" Ren, Ph.D Associate Professor, Environmental and Sustainability Engineering University of Colorado Boulder Jason.Ren@colorado.edu (303) 492-4137 http://spot.colorado.edu/~zhre0706/ MxC or Microbial Electrochemical System (MES) is a platform technology for energy and resource recovery Main type of MXC Products Microbial Fuel Cell (MFC) Electricity Microbial Electrolysis Cell (MEC) H 2 , H 2 O 2 , NaOH, Struvite Microbial Chemical Cell (MCC) CH 4 , C 2 H 4 O 2 , Organics Microbial Remediation Cell (MRC) Reduced/non-toxic chemicals Microbial Desalination Cell (MDC) Desalinated water >90% H 2 MEC for H 2 Recovery PS e - e - Wang and Ren, Biotechnol. Adv. 2013

407

Application to Export Electric Energy OE Docket No. EA-338-A Shell Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

8-A Shell 8-A Shell Energy North America (US), L.P.: Federal Register Notice, Volume 78, No. 45 - March 7, 2013 Application to Export Electric Energy OE Docket No. EA-338-A Shell Energy North America (US), L.P.: Federal Register Notice, Volume 78, No. 45 - March 7, 2013 Application from Shell Energy to export electric energy to Mexico. Federal Register Notice. EA-338-A Shell Energy-MX.pdf More Documents & Publications Application to Export Electric Energy OE Doc No. EA-339-A Shell Energy North America (US), L.P.: Federal Register Notice, Volume 78, No. 45 - March 7, 2013 Application to Export Electric Energy OE Docket No. EA-258-D Brookfield Energy Marketing Inc.: Federal Register Notice, Volume 78. No. 213 - Nov. 4, 2013 Application to Export Electric Energy OE Docket No. EA-336-A ConocoPhillips

408

NETL F 451.1/1-1, Categorical Exclusion Designation Form  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

University of Washington University of Washington SCC/Power Systems Division 2012/ 10/1/2012 - 9/30/2015 Briggs White (Mx5437) Seattle, WA Enhancement of SOFC Cathode Electrochemical Performance Using Multi-Phase Interfaces Recipient will conduct fundamental, bench-scale, laboratory research with the objective of better understanding fuel cell cathode operation mechanisms and finding ways to improve their performance. Briggs White Digitally signed by Briggs White DN: cn=Briggs White, o=DOE-NETL, ou=Power Systems Division, email=Briggs.White@netl.doe.gov, c=US Reason: I am approving this document Date: 2012.08.14 14:58:48 -04'00' 08 14 2012 Cliff Whyte Digitally signed by Cliff Whyte DN: cn=Cliff Whyte, o=US Dept of Energy, ou=NETL- OPFC, email=Cliff.Whyte@netl.doe.gov, c=US Date: 2012.08.30 09:36:06

409

Fuel Cell Purity Workshop Attendees  

NLE Websites -- All DOE Office Websites (Extended Search)

5/2004 5/2004 2004 NHA Conference - Fuel Purity Workshop April 26, 2004 Name Company Email Adam Gromis CaFCP agromis@cafcp.org Bob Boyd BOC Gases bob.boyd@us.gases.boc.com Brad Smith Shell Hydrogen brad.smith@shell.com Chris Sloane GM chris.sloane@gm.com Doug Wheeler DJW Technologies douglas.wheeler@djwtechnology.com Earl Berry Chevron Texaco earl.berry@chevrontexaco.com Elena Osterreicher Chevron Texaco eost@chevrontexaco.com George Kervitsky Sentech, Inc gkervits@sentech.org Hideaki Akamatsu FCCJ akamatsu@mx10.ttcn.ne.jp Hidenori Tomioka JARI htomioka@jari.or.jp Jack Simon Savannah River Laboratory jack.simon@srs.gov Jay Keller SNL jokelle@snl.gov Jesse Schneider DCX (CaFCP) jesse.schneider@daimlerchrysler.com Jim McGetrick BP mcgetrje@bp.com Jim Ohi National Renewable Energy Laboratory jim_ohi@nrel.gov

410

NETL F 451.1/1-1, Categorical Exclusion Designation Form  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Massachussetts Institute of Tech. Massachussetts Institute of Tech. SCC/Power Systems Division 2012/ 10/1/2012 - 9/30/2015 Briggs White (Mx5437) Cambridge, MA Enhancement of SOFC Cathode Electrochemical Performance Using Multi-Phase Interfaces Recipient will conduct fundamental, bench-scale, laboratory research with the objective of better understanding fuel cell cathode operation mechanisms and finding ways to improve their performance. Briggs White Digitally signed by Briggs White DN: cn=Briggs White, o=DOE-NETL, ou=Power Systems Division, email=Briggs.White@netl.doe.gov, c=US Reason: I am approving this document Date: 2012.08.14 14:57:54 -04'00' 08 14 2012 Cliff Whyte Digitally signed by Cliff Whyte DN: cn=Cliff Whyte, o=US Dept of Energy, ou=NETL- OPFC, email=Cliff.Whyte@netl.doe.gov, c=US

411

NETL F 451.1/1-1, Categorical Exclusion Designation Form  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

675 675 WVU Research Corporation FE SCC/Power Systems Division 2012/ 10/1/2012 - 9/30/2015 Briggs White (Mx5437) Morgantown, WV Fundamental Understanding of Oxygen Reduction and Reaction Behavior and Developing High Performance.. Recipient will conduct fundamental, bench-scale laboratory research with the objective of better understanding fuel cell cathode operation mechanisms and finding ways to improve their performance. Briggs White Digitally signed by Briggs White DN: cn=Briggs White, o=DOE-NETL, ou=Power Systems Division, email=Briggs.White@netl.doe.gov, c=US Reason: I am approving this document Date: 2012.08.07 08:29:59 -04'00' 08 07 2012 john ganz Digitally signed by john ganz DN: cn=john ganz, o=environmental compliance division, ou=office of general counsel, email=john.ganz@netl.doe.gov, c=US

412

UNITED STATES GOVERNMENT  

Office of Legacy Management (LM)

Menxmmhmz 9 Menxmmhmz 9 1 / UNITED STATES GOVERNMENT i TO : ThcFFles . mx.f I A. B. Piccct, +3lation section : DATE: .@.eti 16, 1949 SUBJECT: VISIT To HAVY OFfDHAlfCE DEPOT, EARIZ, B.J. FmmlTo ,sYmOL: DH:ARP . . : OnJuly 8,&g the uriterattendedameeting at the Navy Oxdnce Depot at Farle, Ii. J. for the purpose of advising the navy on i-adlatlon hazards involved In the dmping of contadnated AEC wastes at /?ea. " Presint were: J. Cook - Traffic & Transportation, AEC ~J.Moren- Utilifation, AEC ..J. Ccnmigl.io - Chief of Middlesex Operaticns A. PIhot -~Hadiation Section, AEC Captain Blossoin - Navy Captain hall - Navy ThefoSkndngwas agreedupcmby AFC andthe l&v. 1. 2. 3. 4. Contaminatedmaterial dnmied, I (loose in case of large contaminated units) loaded on truck&and lsonltored at'

413

Mexico-NAMA Programme | Open Energy Information  

Open Energy Info (EERE)

Mexico-NAMA Programme Mexico-NAMA Programme Jump to: navigation, search Name GIZ-Mexico NAMA Programme Agency/Company /Organization Deutsche Gesellschaft für Internationale Zusammenarbeit (GIZ) GmbH Sector Energy Focus Area Renewable Energy, Buildings, Buildings - Residential, Energy Efficiency, People and Policy Topics - Energy Access, Implementation, Low emission development planning, -LEDS, -NAMA, Market analysis, Resource assessment Website http://www.conavi.gob.mx/docum Program Start 2011 Program End 2015 Country Mexico Central America References Deutsche Gesellschaft für Internationale Zusammenarbeit (GIZ)[1] Program Overview The programme aims at contributing to the implementation of NAMAs in Mexican key sectors (residential buildings, solar cooling) that are (co-)financed by the public and/or private sector and that are framed by an

414

COMISIÓN FEDERAL DE ELECTRICIDAD EFFORTS ON HIS CARBON STORAGE PROGRAM  

NLE Websites -- All DOE Office Websites (Extended Search)

Perspectives Perspectives MEXICO Oscar JIMENEZ Federal Commission for Electricity oscar.jimenez03@cfe.gob.mx Carbon Storage Program Infrastructure Annual Review Meeting (Featuring DOE's Regional Carbon Sequestration Partnerships) November 15-17, 2011, Pittsburgh, Pennsylvania, USA OUTLINE * PREVIOUS WORK * CURRENT ACHIEVEMENTS * FUTURE TASKS The energy sector is responsible for more than 70% (around 154 million metric tons) of CO 2 emissions in the country. POINT SOURCES Oscar Jiménez The electricity production industry is the largest contributor, and it does from a small number of stationary sources. SECTOR CO 2 EMISSIONS (metric tons) No. of SOURCES Electricity Generation 107,351,754 113 Oil & Petrochemical 47,556,986 273 Cement 26,016,726 60 Metallurgical, Iron & Steel 21,367,965

415

V-183: Cisco TelePresence TC and TE Bugs Let Remote Users Deny Service and  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

3: Cisco TelePresence TC and TE Bugs Let Remote Users Deny 3: Cisco TelePresence TC and TE Bugs Let Remote Users Deny Service and Remote Adjacent Authenticated Users Gain Root Shell Access V-183: Cisco TelePresence TC and TE Bugs Let Remote Users Deny Service and Remote Adjacent Authenticated Users Gain Root Shell Access June 21, 2013 - 6:00am Addthis PROBLEM: Three vulnerabilities were reported in Cisco TelePresence TC and TE PLATFORM: The following product models are affected by the vulnerabilities: Cisco TelePresence MX Series Cisco TelePresence System EX Series Cisco TelePresence Integrator C Series Cisco TelePresence Profiles Series running Cisco TelePresence Quick Set Series Cisco IP Video Phone E20 ABSTRACT: Cisco TelePresence TC and TE Software contain two vulnerabilities in the implementation of the Session Initiation Protocol (SIP) that could allow an

416

GIZ-Mexico NAMA Programme | Open Energy Information  

Open Energy Info (EERE)

NAMA Programme NAMA Programme Jump to: navigation, search Name GIZ-Mexico NAMA Programme Agency/Company /Organization Deutsche Gesellschaft für Internationale Zusammenarbeit (GIZ) GmbH Sector Energy Focus Area Renewable Energy, Buildings, Buildings - Residential, Energy Efficiency, People and Policy Topics - Energy Access, Implementation, Low emission development planning, -LEDS, -NAMA, Market analysis, Resource assessment Website http://www.conavi.gob.mx/docum Program Start 2011 Program End 2015 Country Mexico Central America References Deutsche Gesellschaft für Internationale Zusammenarbeit (GIZ)[1] Program Overview The programme aims at contributing to the implementation of NAMAs in Mexican key sectors (residential buildings, solar cooling) that are (co-)financed by the public and/or private sector and that are framed by an

417

Mexico City Climate Action Program | Open Energy Information  

Open Energy Info (EERE)

City Climate Action Program City Climate Action Program Jump to: navigation, search Name Mexico City Climate Action Program Agency/Company /Organization Mexico City Government Topics Implementation, Policies/deployment programs, Pathways analysis, Background analysis Resource Type Guide/manual Website http://www.sma.df.gob.mx/sma/l Country Mexico UN Region Latin America and the Caribbean References Mexico City Climate Action Program[1] Overview "...the aim of the Mexico City Climate Action Program is to contribute to the reduction of greenhouse gas emissions, reduce the vulnerability of the city to the effects of global warming, and heighten our adaptation. To this end, the Program considers related Mexico City government policies and investments that are already in effect; it also identifies and propitiates

418

Application to Export Electric Energy OE Docket No. EA-145-E Powerex  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Corporation: Federal Register Notice, Volume 78, No. 213 - Nov. 4, Corporation: Federal Register Notice, Volume 78, No. 213 - Nov. 4, 2013 Application to Export Electric Energy OE Docket No. EA-145-E Powerex Corporation: Federal Register Notice, Volume 78, No. 213 - Nov. 4, 2013 Application from Powerex Corp to transmit electric energy to Mexico. Federal Register Notice. EA-145-E Powerex Corp (MX).pdf More Documents & Publications Application to Export Electric Energy OE Docket No. EA-258-D Brookfield Energy Marketing Inc.: Federal Register Notice, Volume 78. No. 213 - Nov. 4, 2013 Application to Export Electric Energy OE Docket No. EA-338-A Shell Energy North America (US), L.P.: Federal Register Notice, Volume 78, No. 45 - March 7, 2013 Application to Export Electric Energy OE Docket No. EA-336-A ConocoPhillips Company: Federal Register Notice, Volume 78, No. 33 - Feb. 19, 2013

419

Categorical Exclusion (CX) Determinations By Date | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

19, 2010 19, 2010 CX-001304: Categorical Exclusion Determination B3 Hot and Chilled Water Pump Upgrades CX(s) Applied: B1.5 Date: 03/19/2010 Location(s): Morgantown, West Virginia Office(s): National Energy Technology Laboratory March 19, 2010 CX-001240: Categorical Exclusion Determination Recovery Act: Colorado Northwestern Community College Craig Campus Geothermal Program CX(s) Applied: A9, B5.1 Date: 03/19/2010 Location(s): Craig, Colorado Office(s): Energy Efficiency and Renewable Energy, Golden Field Office March 19, 2010 CX-006724: Categorical Exclusion Determination Whispered Relocation and Installation to 65-S-10. CX(s) Applied: B1.31, B3.11 Date: 03/19/2010 Location(s): Casper, Wyoming Office(s): RMOTC March 19, 2010 CX-006725: Categorical Exclusion Determination Whispered Dismantle and Relocation From 58-MX-10

420

Special test configurations and $K$-stability of Fano varieties  

E-Print Network (OSTI)

Let $X$ be a Fano manifold. For any given test configuration $(\\mX, \\mL)$ of $(X, -rK_X)$, we modify it by first taking the log canonical modification and then using the minimal model program (MMP) with scaling. We show that the Donaldson-Futaki invariant is always non-increasing along the process. If $\\rho(X)=1$, then the end product is a test configuration with the central fibre being an irreducible normal $\\mathbb{Q}$-Fano variety. This implies that, when $X$ is Fano with $\\rho(X)=1$, to test $K$-(semi)stability, we only need to test on the special test configurations. We also show by a counter-example that the `right' definition of $K$-(poly)stability should only involve normal test configurations.

Li, Chi

2011-01-01T23:59:59.000Z

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


421

Preparation and composition of superconducting copper oxides based on Ga-O layers  

DOE Patents (OSTI)

A high temperature superconducting material with the general formula GaSr.sub.2 Ln.sub.1-x MxCu.sub.2 O.sub.7.+-.w wherein Ln is selected from the group consisting of La, Ce, Pt, Sm, Eu, Gd, Tb, Dy, Ho, Er, Tm, Yb and Y and M is selected from the group consisting of Ca and Sr, 0.2.ltoreq.x.ltoreq.0.4 and w is a small fraction of one. A method of preparing this high temperature superconducting material is provided which includes heating and cooling a mixture to produce a crystalline material which is subsequently fired, ground and annealed at high pressure and temperature in oxygen to establish superconductivity.

Dabrowski, Bogdan (Bolingbrook, IL); Vaughey, J. T. (Houston, TX); Poeppelmeier, Kenneth R. (Evanston, IL)

1994-01-01T23:59:59.000Z

422

THE MAGNETIC ENERGY-HELICITY DIAGRAM OF SOLAR ACTIVE REGIONS  

Science Conference Proceedings (OSTI)

Using a recently proposed nonlinear force-free method designed for single-vector magnetograms of solar active regions, we calculate the instantaneous free magnetic energy and relative magnetic helicity budgets in 162 vector magnetograms corresponding to 42 different active regions. We find a statistically robust, monotonic correlation between the free magnetic energy and the relative magnetic helicity in the studied regions. This correlation implies that magnetic helicity, in addition to free magnetic energy, may be an essential ingredient for major solar eruptions. Eruptive active regions appear well segregated from non-eruptive ones in both free energy and relative helicity with major (at least M-class) flares occurring in active regions with free energy and relative helicity exceeding 4 Multiplication-Sign 10{sup 31} erg and 2 Multiplication-Sign 10{sup 42} Mx{sup 2}, respectively. The helicity threshold agrees well with estimates of the helicity contents of typical coronal mass ejections.

Tziotziou, Kostas; Georgoulis, Manolis K. [Research Center for Astronomy and Applied Mathematics (RCAAM), Academy of Athens, 4 Soranou Efesiou Street, Athens, GR-11527 (Greece); Raouafi, Nour-Eddine [Johns Hopkins University Applied Physics Laboratory (JHU/APL), 11100 Johns Hopkins Rd. Laurel, MD 20723-6099 (United States)

2012-11-01T23:59:59.000Z

423

Bounds on self-interacting fermion dark matter from observations of old neutron stars  

E-Print Network (OSTI)

The existence of old neutron stars deeply constrains self-interacting fermion dark matter, which can form star-killing black holes. We quantify this constraint on dark matter-nucleon scattering, considering collapse scenarios that broaden bounds over intermediate masses. We then find the self- and co-annihilation rates necessary to lift these dark matter-nucleon scattering bounds. For Yukawa-coupled dark matter that fits dwarf galaxy halo profiles with a coupling $\\alpha = 10^{-1}-10^{-4}$, a scalar mediator mass $m_\\phi = 1-500$ MeV, and DM mass $m_X = 0.1-10^7$ GeV, we show that fermion dark matter is unconstrained if it self-annihilates at a rate greater than $10^{-40} ~ \\rm{cm^3/s}$ or co-annihilates with baryons at a rate greater than $10^{-50} ~ \\rm{cm^3/s}$.

Joseph Bramante; Keita Fukushima; Jason Kumar; Elan Stopnitzky

2013-10-13T23:59:59.000Z

424

Constraints on Bosonic Dark Matter From Observations of Old Neutron Stars  

E-Print Network (OSTI)

Baryon interactions with bosonic dark matter are constrained by the potential for dark matter-rich neutron stars to collapse into black holes. We consider the effect of dark matter self-interactions and dark matter annihilation on these bounds, and treat the evolution of the black hole after formation. We show that, for non-annihilating dark matter, these bounds extend up to $m_X \\sim 10^{5-7}$ GeV, depending on the strength of self-interactions. However, these bounds are completely unconstraining for annihilating bosonic dark matter with an annihilation cross-section of $ \\gtrsim 10^{-38} {\\rm cm^3 /s}$. Dark matter decay does not significantly affect these bounds. We thus show that bosonic dark matter accessible to near-future direct detection experiments must participate in an annihilation or self-interaction process to avoid black hole collapse constraints from very old neutron stars.

Joseph Bramante; Keita Fukushima; Jason Kumar

2013-01-01T23:59:59.000Z

425

Electric cell with a non-aqueous electrolyte  

Science Conference Proceedings (OSTI)

An electric cell with a non-aqueous electrolyte. The cell includes a positive electrode whose active material is suitable for inserting the negative active material dynamically, a negative electrode whose active material includes at least one alkali metal, and an electrolyte, wherein said positive electrode includes at least one compound whose general formula is mx4rntp, where M represents an element chosen from among silicon, germanium, tin and lead, X represents sulphur, selenium or tellurium, R and T represent an element chosen from among copper, silver, manganese, iron, cobalt and nickel, N being greater than or equal to 0 and less than or equal to 4, P being greater than or equal to 0 and less than or equal to 2. The invention is used in connection with button type electric cells.

Le Blanc-Soreau, A.; Le Mehaute, A.; Rouxel, J.

1982-03-02T23:59:59.000Z

426

Use of non-petroleum fuels to reduce military energy vulnerabilities: self-sufficient bases and new weapon propulsion systems  

DOE Green Energy (OSTI)

The US fossil synfuels program may not have significant impact on domestic fuel supplies until near the year 2000, resulting in a continuing mobility fuels vulnerability for the US military until then. But there are other mobility fuel options for both propulsion systems and stationary base-energy sources, for which the base technology is commercially available or at least demonstrated. For example, for surface propulsion systems, hydrogen-fuel-cell/battery-electric hybrids may be considered; for weapons systems these may offer some new flexibilities, standardization possibilities, and multiple military-controlled fuel-supply options. Hydrogen-fueled aircraft may provide interesting longer-term possibilities in terms of military energy self-sufficiency and multiple supply options, as well as performance specifications. These scenarios will be discussed, along with possibilities for demonstrations in the MX-system ground vehicles.

Freiwald, D.A.

1980-01-01T23:59:59.000Z

427

The Magnetic Energy - Helicity Diagram of Solar Active Regions  

E-Print Network (OSTI)

Using a recently proposed nonlinear force-free method designed for single vector magnetograms of solar active regions we calculate the instantaneous free magnetic energy and relative magnetic helicity budgets in 162 vector magnetograms corresponding to 42 different active regions. We find a statistically robust, monotonic correlation between the free magnetic energy and the relative magnetic helicity in the studied regions. This correlation implies that magnetic helicity, besides free magnetic energy, may be an essential ingredient for major solar eruptions. Eruptive active regions appear well segregated from non-eruptive ones in both free energy and relative helicity with major (at least M-class) flares occurring in active regions with free energy and relative helicity exceeding 4x10^{31} erg and 2x10^{42} Mx^2, respectively. The helicity threshold agrees well with estimates of helicity contents of typical coronal mass ejections.

Tziotziou, Kostas; Raouafi, Nour-Eddine

2012-01-01T23:59:59.000Z

428

Single event effects and performance predictions for space applications of RISC processors  

Science Conference Proceedings (OSTI)

Proton and ion Single Event Phenomena (SEP) tests were performed on 32-b processors including R3000A's from all commercial manufacturers along with the Performance PR3400 family, Integrated Device Technology Inc. 79R3081, LSI Logic Corporation LR33000HC, and Intel i80960MX parts. The microprocessors had acceptable upset rates for operation in a low earth orbit or a lunar mission such as CLEMENTINE with a wide range in proton total dose failure. Even though R3000A devices are 60% smaller in physical area than R3000 devices, there was a 340% increase in device Single Event Upset (SEU) cross section. Software tests of varying complexity demonstrate that registers and other functional blocks using register architecture dominate the cross section. The current approach of giving a single upset cross section can lead to erroneous upset rates depending on the application software.

Kimbrough, J.R.; Colella, N.J.; Denton, S.M.; Shaeffer, D.L.; Shih, D.; Wilburn, J.W. (Lawrence Livermore National Lab., CA (United States)); Coakley, P.G. (JAYCOR, San Diego, CA (United States)); Casteneda, C. (Crocker Nuclar Lab., Davis, CA (United States)); Koga, R. (Aerospace Corp., El Segundo, CA (United States)); Clark, D.A.; Ullmann, J.L. (Los Alamos National Lab., NM (United States))

1994-12-01T23:59:59.000Z

429

Geothermal assessment of a portion of the Escalante Valley, Utah  

DOE Green Energy (OSTI)

In February 1981, the Utah geological and Mineral Survey (UGMS) contracted with the Department of Energy (DOE) to evaluate the geothermal potential of an area proposed for a possible Missile Experimental (MX) operations base in the Escalante Valley region of Utah. Exploration techniques employed included a temperature survey, chemical analysis of springs and wells, and temperature-depth measurements in holes of opportunity. The highest water temperatures recorded in the area, with the exceptions of a 60/sup 0/C (140/sup 0/F) geothermal exploration hole and Thermo Hot Springs (42 to 78/sup 0/C or 108 to 172/sup 0/F), were 27 and 28/sup 0/C (81 and 82/sup 0/F) at two wells located northwest of Zane, Utah.

Klauk, R.H.; Gourley, C.

1983-12-01T23:59:59.000Z

430

Recent advances in lithium ion technology  

Science Conference Proceedings (OSTI)

Lithium ion technology is based on the use of lithium intercalating electrodes. Carbon is the most commonly used anode material, while the cathode materials of choice have been layered lithium metal chalcogenides (LiMX{sub 2}) and lithium spinel-type compounds. Electrolytes may be either organic liquids or polymers. Although the first practical use of graphite intercalation compounds as battery anodes was reported in 1981 for molten salt cells (1) and in 1983 for ambient temperature systems (2) it was not until Sony Energytech announced a new lithium ion rechargeable cell containing a lithium ion intercalating carbon anode in 1990, that interest peaked. The reason for this heightened interest is that these cells have the high energy density, high voltage and fight weight of metallic lithium systems plus a very long cycle life, but without the disadvantages of dendrite formation on charge and the safety considerations associated with metallic lithium.

Levy, S.C.

1995-01-01T23:59:59.000Z

431

Neutrino Unification  

E-Print Network (OSTI)

Present neutrino data are consistent with neutrino masses arising from a common seed at some ``neutrino unification'' scale $M_X$. Such a simple theoretical ansatz naturally leads to quasi-degenerate neutrinos that could lie in the electron-volt range with neutrino mass splittings induced by renormalization effects associated with supersymmetric thresholds. In such a scheme the leptonic analogue of the Cabibbo angle $\\theta_{\\odot}$ describing solar neutrino oscillations is nearly maximal. Its exact value is correlated with the smallness of $\\theta_{reactor}$. These features agree both with latest data on the solar neutrino spectra and with the reactor neutrino data. The two leading mass-eigenstate neutrinos present in \

P. H. Chankowski; A. Ioannisian; S. Pokorski; J. W. F Valle

2000-11-10T23:59:59.000Z

432

FRm : John A. Deny, DitiSion Of  

Office of Legacy Management (LM)

to : lieads of Divisions am3 Man DAW.: December 6, 1954 to : lieads of Divisions am3 Man DAW.: December 6, 1954 FRm : John A. Deny, DitiSion Of SPNBOL : csm-R:AcB The attached tabulation of active AEC contracts over $l,ooO,Mx) haa been ,xepared as a result of recurring requests fcr infmmatirm cm ow larger contracts. It consists ox- Pa-t I - E+ime contracts and Pert II - Sub- ccdxacts, and lists the contracts alphabetically bq Operations Office to shar; (1) tne of work being prformed by the contractcr; (2) contract rmter; (3).ac&ated dollar obligation; (4) tspe of contract, i.e., cost m or fixed ,rlce; ad, (5) the est+ted completion date. 1. Arcbitict-Engineer (AE) 2. DnSita constnlctfon 3. Research and Dewlopnent (R&D) 4. Haterids, Supplies and EquiFment for Constructian (=---.) 5. Materials, supplies and Equippent, other @e&other)

433

Method for immobilizing radioactive iodine  

DOE Patents (OSTI)

Radioactive iodine, present as alkali metal iodides or iodates in an aqueous solution, is incorporated into an inert solid material for long-term storage by adding to the solution a stoichiometric amount with respect to the formation of a sodalite (3M.sub.2 O.3Al.sub.2 O.sub.3. 6SiO.sub.2.2MX, where M=alkali metal; X=I.sup.- or IO.sub.3.sup.-) of an alkali metal, alumina and silica, stirring the solution to form a homogeneous mixture, drying the mixture to form a powder, compacting and sintering the compacted powder at 1073 to 1373 K (800.degree. to 1100.degree. C.) for a time sufficient to form sodalite.

Babad, Harry (Richland, WA); Strachan, Denis M. (Richland, WA)

1980-01-01T23:59:59.000Z

434

$n%5!<%y%$  

E-Print Network (OSTI)

$N$h$&$J%W%m%0%i%`$G$O!"f $KE,MQ$5$l$kCM$N7?$O@EE*$K5a$^$k$N$G!"$=$N7?>pJs$rMxMQ$7$? coercion $N%3!e9T$( $J$$$H$$$&E@$,$"$2$i$l$k!# $3$l$i$NLdBj$r2r7h$9$k

Shimizu Toshihiro

1997-01-01T23:59:59.000Z

435

The Economics of Climate Change in Mexico | Open Energy Information  

Open Energy Info (EERE)

Economics of Climate Change in Mexico Economics of Climate Change in Mexico Jump to: navigation, search Name The Economics of Climate Change in Mexico Agency/Company /Organization Government of Mexico Sector Energy Topics Policies/deployment programs Resource Type Guide/manual Website http://www.cop16.mx/assets/001 Country Mexico UN Region Latin America and the Caribbean References The Economics of Climate Change in Mexico[1] The Economics of Climate Change in Mexico Screenshot "The study which the reader now holds, and which we are most pleased to present, will be of immense usefulness in orienting strategy and guidelines for public policy. We also hope that it will be the first of a number of serious and though roughly researched such studies undertaken in Mexico, with the backing and encouragement of a diversity of public and private,

436

Moffat Appointed Senior Advisor for Life Sciences at the APS  

NLE Websites -- All DOE Office Websites (Extended Search)

Gluskin of ASD Elected to AAAS Fellowship Gluskin of ASD Elected to AAAS Fellowship Jacobsen of XSD Elected to American Physical Society Fellowship Chapman of XSD Wins Oxford Cryosystems Poster Prize Office of Science Approves Critical Decision 1 for APS Upgrade Project Argonne Breaks Ground on $34.5M MX Research Facility APS News Archives: 2012 | 2011 | 2010 | 2009 2008 | 2007 | 2006 | 2005 2004 | 2003 | 2002 | 2001 2000 Subscribe to APS News rss feed Moffat Appointed Senior Advisor for Life Sciences at the APS NOVEMBER 30, 2011 Bookmark and Share Keith Moffat The Advanced Photon Source (APS) is the Western Hemisphere's most powerful source of x-rays for research. It attracts more than 4,000 users from academia, industry, and government laboratories around the world each year for research in all fields of science. In particular, almost half of

437

DISCONNECTING OPEN SOLAR MAGNETIC FLUX  

SciTech Connect

Disconnection of open magnetic flux by reconnection is required to balance the injection of open flux by coronal mass ejections and other eruptive events. Making use of recent advances in heliospheric background subtraction, we have imaged many abrupt disconnection events. These events produce dense plasma clouds whose distinctive shape can now be traced from the corona across the inner solar system via heliospheric imaging. The morphology of each initial event is characteristic of magnetic reconnection across a current sheet, and the newly disconnected flux takes the form of a 'U-'shaped loop that moves outward, accreting coronal and solar wind material. We analyzed one such event on 2008 December 18 as it formed and accelerated at 20 m s{sup -2} to 320 km s{sup -1}, thereafter expanding self-similarly until it exited our field of view 1.2 AU from the Sun. From acceleration and photometric mass estimates we derive the coronal magnetic field strength to be 8 {mu}T, 6 R{sub Sun} above the photosphere, and the entrained flux to be 1.6 Multiplication-Sign 10{sup 11} Wb (1.6 Multiplication-Sign 10{sup 19} Mx). We model the feature's propagation by balancing inferred magnetic tension force against accretion drag. This model is consistent with the feature's behavior and accepted solar wind parameters. By counting events over a 36 day window, we estimate a global event rate of 1 day{sup -1} and a global solar minimum unsigned flux disconnection rate of 6 Multiplication-Sign 10{sup 13} Wb yr{sup -1} (6 Multiplication-Sign 10{sup 21} Mx yr{sup -1}) by this mechanism. That rate corresponds to {approx} - 0.2 nT yr{sup -1} change in the radial heliospheric field at 1 AU, indicating that the mechanism is important to the heliospheric flux balance.

DeForest, C. E.; Howard, T. A.; McComas, D. J. [Southwest Research Institute, 1050 Walnut Street Suite 300, Boulder, CO 80302 (United States)

2012-01-20T23:59:59.000Z

438

PRODUCTIVITY OF SOLAR FLARES AND MAGNETIC HELICITY INJECTION IN ACTIVE REGIONS  

SciTech Connect

The main objective of this study is to better understand how magnetic helicity injection in an active region (AR) is related to the occurrence and intensity of solar flares. We therefore investigate the magnetic helicity injection rate and unsigned magnetic flux, as a reference. In total, 378 ARs are analyzed using SOHO/MDI magnetograms. The 24 hr averaged helicity injection rate and unsigned magnetic flux are compared with the flare index and the flare-productive probability in the next 24 hr following a measurement. In addition, we study the variation of helicity over a span of several days around the times of the 19 flares above M5.0 which occurred in selected strong flare-productive ARs. The major findings of this study are as follows: (1) for a sub-sample of 91 large ARs with unsigned magnetic fluxes in the range from (3-5) x 10{sup 22} Mx, there is a difference in the magnetic helicity injection rate between flaring ARs and non-flaring ARs by a factor of 2; (2) the GOES C-flare-productive probability as a function of helicity injection displays a sharp boundary between flare-productive ARs and flare-quiet ones; (3) the history of helicity injection before all the 19 major flares displayed a common characteristic: a significant helicity accumulation of (3-45) x 10{sup 42} Mx{sup 2} during a phase of monotonically increasing helicity over 0.5-2 days. Our results support the notion that helicity injection is important in flares, but it is not effective to use it alone for the purpose of flare forecast. It is necessary to find a way to better characterize the time history of helicity injection as well as its spatial distribution inside ARs.

Park, Sung-hong; Wang Haimin [Space Weather Research Laboratory, New Jersey Institute of Technology, 323 Martin Luther King Boulevard, 101 Tiernan Hall, Newark, NJ 07102 (United States); Chae, Jongchul, E-mail: sp295@njit.ed [Astronomy Program and FPRD, Department of Physics and Astronomy, Seoul National University, Seoul 151-742 (Korea, Republic of)

2010-07-20T23:59:59.000Z

439

CSMB | Center for Structural Molecular Biology | ORNL  

NLE Websites -- All DOE Office Websites (Extended Search)

CSMB CSMB Capabilities Working with CSMB Home | User Facilities | CSMB CSMB | Center for Structural Molecular Biology SHARE The Center for Structural Molecular Biology at ORNL is dedicated to developing instrumentation and methods for determining the 3-dimensional structures of proteins, nucleic acids (DNA/RNA) and their higher order complexes. The tools of the CSMB will help understand how these macromolecular systems are formed and how they interact with other systems in living cells. The focus of the CSMB is to bridge the information gap between cellular function and the molecular mechanisms that drive it. The suite of tools being developed by the CSMB includes: Bio-SANS, a Small-Angle Neutron Scattering (SANS) facility for biological samples, has been completed at the ORNL High-Flux Isotope

440

RNA Polymerase  

NLE Websites -- All DOE Office Websites (Extended Search)

RNA Polymerase transcribes genetic information into a message that can be read by the ribosome to produce protein. The research group of Professor Roger Kornberg of Stanford University has studied the structure of this 12-subunit and half-megadalton size macromolecular machine using diffraction data collected at SSRL. A key step in gene expression is the "transcription" of the DNA sequences comprising the genes into messenger RNAs. Transcription is the first step and a key control point in gene expression. Transcriptional regulation underlies all aspects of cellular metabolism including oncogenesis (cancer) and morphogenesis (development). RNA polymerase II (Pol II) is a large (550 kDa) complex of 12 subunits that is at the heart of the transcription

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
While these samples are representative of the content of NLEBeta,
they are not comprehensive nor are they the most current set.
We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


441

Microsoft Word - RNA_polymerase_Kornberg.doc  

NLE Websites -- All DOE Office Websites (Extended Search)

1 1 Structure of RNA Polymerase II RNA Polymerase transcribes genetic information into a message that can be read by the ribosome to produce protein. The research group of Professor Roger Kornberg of Stanford University has studied the structure of this 12-subunit and half-megadalton size macromolecular machine using diffraction data collected at SSRL. A key step in gene expression is the "transcription" of the DNA sequences comprising the genes into messenger RNAs. Transcription is the first step and a key control point in gene expression. Transcriptional regulation underlies all aspects of cellular metabolism including oncogenesis (cancer) and morphogenesis (development). RNA polymerase II (Pol II) is a large (550 kDa) complex

442

BEAMLINE 4-2  

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2 2 CURRENT STATUS: Open SUPPORTED TECHNIQUES: Biological Small Angle X-ray Scattering/Diffraction Macromolecular solution x-ray scattering Lipid membrane diffraction Fiber diffraction Time-resolved x-ray scattering/diffraction Small-angle single crystal diffraction Ultra small-angle x-ray scattering (under development) MAIN SCIENTIFIC DISCIPLINES: Biology % TIME GENERAL USE: 100% SCHEDULING: Proposal Submittal and Scheduling Procedures Current SPEAR and Beam Line Schedules SOURCE: 20-pole, 2.0-Tesla Wiggler ID End Station BEAM LINE SPECIFICATIONS: energy range grating type resolution DE/E spot size flux angular acceptance focused (crystal) 6000-18000 eV ~5 x 10-4 ~0.2 x 1.0mm < 1.0 mrad focused (multilayers) 8000-12000 eV ~3 x 10-2 ~0.2 x 1.0mm < 1.0 mrad

443

Advanced Photon Source | Argonne National Laboratory  

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Argonne National Laboratory Argonne National Laboratory U.S. Department of Energy Office of Science Advanced Photon Source » an Office of Science User Facility Search Button About Welcome Overview Visiting the APS Mission & Goals Find People Organization Charts Committees Job Openings User Information Prospective Users New Users Current Users APS User Portal Macromolecular Crystallographers Administrators Find a Beamline Apply for Beam Time Contacts Calendars Community Scientific Access Site Access Training Science & Education Science & Research Highlights Conferences Seminars Publications Annual Reports APS Upgrade Courses and Schools Graduate Programs Scientific Software Media Center Calendar of Events APS News User News Argonne/APS Press Releases Argonne/APS Feature Stories Argonne/APS In The News

444

Molecular Foundry  

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See the Foundry's full equipment list See the Foundry's full equipment list Organic and Macromolecular Synthesis Capabilities & Tools Major Instruments and Capabilities AB SCIEX TF4800 MALDI TOF-TOF Mass Spectrometer This instrument is the tandem time-of-flight mass spectrometer systems, providing the excellent level of molecular mass coverage in the range of molecular masses 500 and 150,000 Da, high throughput, and confidence in both qualitative and quantitative analyses. The analyzer combines all of the advantages of MALDI in a flexible, easy-to-use, ultra-high-performance mass spectrometer with all the advanced capabilities of software. On-axis laser provides high sensitivity to identify and quantitate low-abundance compounds in complex samples. High-resolution precursor ion selection lets

445

Welcome to SSM  

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SSM - Surface Scattering and Micro-diffraction Group SSM - Surface Scattering and Micro-diffraction Group Search Button About Welcome Overview Visiting the APS Mission & Goals Find People Organization Charts Committees Job Openings User Information Prospective Users New Users Current Users APS User Portal Macromolecular Crystallographers Administrators Find a Beamline Apply for Beam Time Contacts Calendars Community Scientific Access Site Access Training Science & Education Science & Research Highlights Conferences Seminars Publications Annual Reports APS Upgrade Courses and Schools Graduate Programs Scientific Software Media Center Calendar of Events APS News User News Argonne/APS Press Releases Argonne/APS Feature Stories Argonne/APS In The News Article Archives APS Brochure Annual Reports Posters Podcasts Image Gallery Video Library

446

BNL | Dax Fu  

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Dax Fu Dax Fu Research Interests Metals are essential elements for life. About one third of proteins in any living cell need metals to drive enzymatic catalysis, organize protein structures, and mediate macromolecular interactions. At the heart of the cellular metal metabolism are the metal-transporting proteins that move metal ions across biological membranes. By regulating metal fluxes, metal uptake and efflux transporters establish a delicate flow-equilibrium of metal ions to enable a myriad of cellular processes, such as DNA replication and hormone secretion. We seek to understand the physicochemical principles governing the selectivity and energetics of metal transporters by an integrated approach of membrane biochemistry, structural biology and metallochemistry. Our

447

SNS Instrument System Beam Lines | ORNL Neutron Sciences  

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SNS Instrument Beam Lines SNS Instrument Beam Lines This diagram shows the beam lines designated for currently funded instruments. Clicking on an instrument description will take you to the page for that instrument. Clicking anywhere else on the image will open a full-size, printable PDF file. SNS Instrument Layout Backscattering Spectrometer (BASIS) Disordered Materials Diffractometer (NOMAD) Wide Angular-Range Chopper Spectrometer (ARCS) Fine-Resolution Fermi Chopper Spectrometer (SEQUOIA) Coming Soon - Vibrational Spectrometer (VISION) Neutron Spin Echo (NSE) Hybrid Spectrometer (HYSPEC) Fundamental Neutron Physics Beamline (FNPB) Single Crystal Diffractometer (TOPAZ) Versatile Neutron Imaging Instrument (VENUS) Macromolecular Diffractometer (MaNDi) Powder Diffractometer (POWGEN3) Engineering Diffractometer (VULCAN) Extended Q-Range Small Angle Neutron Diffractometer (EQ-SANS) Cold Neutron Chopper Spectrometer (CNCS) Liquids (horizontal surface) Reflectometer (LR) Magnetic Advanced Grazing InCidence Spectrometer (MAGICS) High Pressure Diffractometer (SNAP) Coming Soon - Elastic Diffuse Scattering Spectrometer (CORELLI)

448

OPT Optics and Metrology Fabrication Laboratory  

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Fabrication & X-ray Laboratories Fabrication & X-ray Laboratories Search Button About Welcome Overview Visiting the APS Mission & Goals Find People Organization Charts Committees Job Openings User Information Prospective Users New Users Current Users APS User Portal Macromolecular Crystallographers Administrators Find a Beamline Apply for Beam Time Contacts Calendars Community Scientific Access Site Access Training Science & Education Science & Research Highlights Conferences Seminars Publications Annual Reports APS Upgrade Courses and Schools Graduate Programs Scientific Software Media Center Calendar of Events APS News User News Argonne/APS Press Releases Argonne/APS Feature Stories Argonne/APS In The News Article Archives APS Brochure Annual Reports Posters Podcasts Image Gallery Video Library Syndicated Feeds (RSS)

449

High Temperature, Large Sample Volume, Constant Flow Magic Angle Spinning NMR Probe for a 11  

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High Temperature, Large Sample Volume, Constant Flow Magic Angle Spinning NMR Probe for a High Temperature, Large Sample Volume, Constant Flow Magic Angle Spinning NMR Probe for a 11.7 T Magnetic Field for In Situ Catalytic Reaction Characterization Project start date: April 1, 2007 EMSL Lead Investigator: Joseph Ford, EMSL High Field Magnetic Resonance Facility Co-investigators: Jian Zhi Hu, Macromolecular Structure and Dynamics, Biological Science Division, FCSD Jesse Sears and David W. Hoyt, EMSL High Field Magnetic Resonance Facility Detailed understanding of the mechanisms involved in a catalytic reaction requires identification of the nature of the active sites and the temporal evolution of reaction intermediates. Although optical methods such as UV-visible and infrared (IR) spectroscopies can be used for some types of reactions, these do not

450

Advanced Photon Source  

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0 Advanced Photon Source 0 Advanced Photon Source A U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences national synchrotron x-ray research facility Search Button About Welcome Overview Visiting the APS Mission & Goals Find People Organization Charts Committees Job Openings User Information Prospective Users New Users Current Users APS User Portal Macromolecular Crystallographers Administrators Find a Beamline Apply for Beam Time Contacts Calendars Community Scientific Access Site Access Training Science & Education Science & Research Highlights Conferences Seminars Publications Annual Reports APS Upgrade Courses and Schools Graduate Programs Scientific Software Media Center Calendar of Events APS News User News Argonne/APS Press Releases Argonne/APS Feature Stories Argonne/APS In The News

451

Hydrothermal durability of Ca-complexed methylmethacrylate-trimethylolpropane trimethacrylate copolymer films and coatings containing superficially formed CaO-SiO/sub 2/-H/sub 2/O type inorganic macromolecules  

DOE Green Energy (OSTI)

A CaO-SiO/sub 2/-H/sub 2/O macromolecular-ionomer complex was found to be formed in the superficial layers of MMA-TMPTMA copolymer composite films made with filler containing hydraulic cement during exposure in an autoclave at temperatures up to 200/sup 0/C. This superficially formed complex in terms of self-healing protective layers, acted to prevent the hydrothermal deterioration of the original composite films, which is important if the films are used as protective layers on metals. Studies of the adhesion of the complex composite coatings to chemically treated metal surfaces were also performed. It was found that the surface topography of hopeite crystalline layers results in an increase in wetting forces and mechanical interlocking forces.

Sugama, T.; Kukacka, L.E.

1983-12-01T23:59:59.000Z

452

Intra-cellular traffic: bio-molecular motors on filamentary tracks  

E-Print Network (OSTI)

Molecular motors are macromolecular complexes which use some form of input energy to perform mechanical work. The filamentary tracks, on which these motors move, are made of either proteins (e.g., microtubules) or nucleic acids (DNA or RNA). Often, many such motors move simultaneously on the same track and their collective properties have superficial similarities with vehicular traffic on highways. The models we have developed provide ``unified'' description: in the low-density limit, a model captures the transport properties of a single motor while, at higher densities the same model accounts for the collective spatio-temporal organization of interacting motors. By drawing analogy with vehicular traffic, we have introduced novel quantities for characterizing the nature of the spatio-temporal organization of molecular motors on their tracks. We show how the traffic-like intracellular collective phenomena depend on the mechano-chemistry of the corresponding individual motors.

Debashish Chowdhury; Aakash Basu; Ashok Garai; Philip Greulich; Katsuhiro Nishinari; Andreas Schadschneider; Tripti Tripathi

2008-01-15T23:59:59.000Z

453

Effects of coal interaction with supercritical CO{sub 2}: physical structure  

Science Conference Proceedings (OSTI)

It is known that polar solvents swell coal, break hydrogen-bonds in the macromolecular structure, and enhance coal liquefaction efficiencies. The effects of drying, interaction with supercritical CO{sub 2} and degassing on the physical structure of coal have been studied using gas sorption technique and a scanning electron microscope (SEM). Both drying and interaction with supercritical CO{sub 2} drastically change the micropore and mesopore surface area, absolute volume, and volume distribution in both bituminous coal and lignite. Degassing removes debris in the pore space which allows for better analysis of the changes in the morphology that were induced by drying and exposure to supercritical CO{sub 2}. SEM reveals that interaction of bituminous coal with supercritical CO{sub 2} results in an abundance of carbon structures similar to the maceral collinite.

Gathitu, B.B.; Chen, W.Y.; McClure, M. [University of Mississippi, University, MS (United States). Dept. of Chemical Engineering

2009-05-15T23:59:59.000Z

454

Resource Letter: Bio-molecular Nano-machines: where Physics, Chemistry, Biology and Technology meet  

E-Print Network (OSTI)

Cell is the structural and functional unit of life. This Resource Letter serves as a guide to the literature on nano-machines which drive not only intracellular movements, but also motility of the cell. These machines are usually proteins or macromolecular assemblies which require appropriate fuel for their operations. Although, traditionally, these machines were subjects of investigation in biology and biochemistry, increasing use of the concepts and techniques of physics in recent years have contributed to the quantitative understanding of the fundamental principles underlying their operational mechanisms. The possibility of exploiting these principles for the design and control of artificial nano-machines has opened up a new frontier in the bottom-up approach to nano-technology.

Debashish Chowdhury

2008-07-17T23:59:59.000Z

455

Genome Properties Database  

DOE Data Explorer (OSTI)

The Genome Properties system consists of a suite of "Properties" which are carefully defined attributes of prokaryotic organisms whose status can be described by numerical values or controlled vocabulary terms for individual completely sequenced genomes. Evaluation of these properties may take place via manual curation or by computer algorithms (numerical calculations or rules-based assignment of controlled vocabulary terms). The Genome Properties system has been designed to capture the widest possible range of attributes and currently encompasses taxonomic terms, genometric calculations, metabolic pathways, systems of interacting macromolecular components and quantitative and descriptive experimental observations (phenotypes) from the literature. Wherever possible, Genome Properties are linked to traceable lines of evidence and links are provided to data for any genes which are part of this evidence. The primary source of evidence linking genes to properties is homology modelling using Hidden Markov Models (HMMs) from the TIGRFAMs and Pfam databases. (Taken from the Genome Properties Home Page)(Specialized Interface)

Haft, Daniel H.; Selengut, Jeremy D.; Brinkac, Lauren M.; Zafar, Nikhat; White, Owen

456

Molecular Science Research Center, 1991 annual report  

SciTech Connect

During 1991, the Molecular Science Research Center (MSRC) experienced solid growth and accomplishment and the Environmental, and Molecular Sciences Laboratory (EMSL) construction project moved forward. We began with strong programs in chemical structure and dynamics and theory, modeling, and simulation, and both these programs continued to thrive. We also made significant advances in the development of programs in materials and interfaces and macromolecular structure and dynamics, largely as a result of the key staff recruited to lead these efforts. If there was one pervasive activity for the past year, however, it was to strengthen the role of the EMSL in the overall environmental restoration and waste management (ER/WM) mission at Hanford. These extended activities involved not only MSRC and EMSL staff but all PNL scientific and technical staff engaged in ER/WM programs.

Knotek, M.L.

1992-03-01T23:59:59.000Z

457

Emulating a crowded intracellular environment in vitro dramatically improves RT-PCR performance  

Science Conference Proceedings (OSTI)

The polymerase chain reaction's (PCR) phenomenal success in advancing fields as diverse as Medicine, Agriculture, Conservation, or Paleontology is based on the ability of using isolated prokaryotic thermostable DNA polymerases in vitro to copy DNA irrespective of origin. This process occurs intracellularly and has evolved to function efficiently under crowded conditions, namely in an environment packed with macromolecules. However, current in vitro practice ignores this important biophysical parameter of life. In order to more closely emulate conditions of intracellular biochemistry in vitro we added inert macromolecules into reverse transcription (RT) and PCR. We show dramatic improvements in all parameters of RT-PCR including 8- to 10-fold greater sensitivity, enhanced polymerase processivity, higher specific amplicon yield, greater primer annealing and specificity, and enhanced DNA polymerase thermal stability. The faster and more efficient reaction kinetics was a consequence of the cumulative molecular and thermodynamic effects of the excluded volume effect created by macromolecular crowding.

Lareu, Ricky R. [Tissue Modulation Laboratory, Division of Bioengineering, Faculty of Engineering, National University of Singapore, Division Office Block E3A 04-15, 7 Engineering Drive 1, Singapore 117574 (Singapore); NUS Tissue Engineering Program and Department of Orthopedic Surgery, Yong Loo Lin School of Medicine, National University of Singapore (Singapore); Harve, Karthik S. [Tissue Modulation Laboratory, Division of Bioengineering, Faculty of Engineering, National University of Singapore, Division Office Block E3A 04-15, 7 Engineering Drive 1, Singapore 117574 (Singapore); Raghunath, Michael [Tissue Modulation Laboratory, Division of Bioengineering, Faculty of Engineering, National University of Singapore, Division Office Block E3A 04-15, 7 Engineering Drive 1, Singapore 117574 (Singapore); Department of Biochemistry, Yong Loo Lin School of Medicine, National University of Singapore (Singapore)], E-mail: bierm@nus.edu.sg

2007-11-09T23:59:59.000Z

458

Influence of co-attached aromatics on the thermolysis of surface-immobilized 1,3-diphenylpropane  

SciTech Connect

The technique of model compound immobilization by covalent surface attachment is being employed to investigate the potential impact of restricted diffusional mobility on the thermal reactivity of coal. This restricted mobility may be imposed in coal as a consequence of its cross-linked, macromolecular structure. Thermolysis studies at 345--400{degree}C of model coal structures covalently attached to a silica surface have shown that significant perturbations in free-radical reaction mechanisms can occur, and result in altered reaction rates and product distributions compared with corresponding fluid phase behavior. In the current study, we are beginning to probe the influence of the structure of co-attached aromatic molecules such as biphenyl and diphenylmethane on the reaction rate and regioselectivity in the thermolysis of surface-attached 1,3-diphenylpropane. 6 refs., 1 tab.

Buchanan, A.C. III; Britt, P.F.; Biggs, C.A. (Oak Ridge National Lab., TN (USA))

1989-01-01T23:59:59.000Z

459

Soft Matter Group, Condensed Matter Physics & Materials Science Department,  

NLE Websites -- All DOE Office Websites (Extended Search)

Research Information (pdf) Research Information (pdf) Publications Seminars Journal Club Staff Information Other Information Basic Energy Sciences Directorate Related Sites BNL Site Index Can't View PDFs? Soft Matter Group Confinement and Template Directed Assembly in Chemical and Biomolecular Materials We use synchrotron x-ray scattering, scanning probe and optical microscopy techniques to study fundamental properties of complex fluids, simple liquids, macromolecular assemblies, polymers, and biomolecular materials under confinement and on templates. The challenges are: To understand liquids under nano-confinement. How templates and confinement can be used to direct the assembly. To understand the fundamental interactions which give rise to similar self-assembly behavior for a wide variety of systems.

460

Low Dose Radiation Research Program: Modeling the Physics of Damage Cluster  

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Modeling the Physics of Damage Cluster Formation in a Cellular Environment Modeling the Physics of Damage Cluster Formation in a Cellular Environment Larry Toburen East Carolina University Why This Project Modern tools of radiobiology are leading to many new discoveries regarding how cells and tissues respond to radiation exposure. We can now irradiate single cells and observe responses in adjacent cells. We can also measure clusters of radiation damage produced in DNA. The primary tools available to describe the initial spatial pattern of damage formed by the absorption of ionizing radiation are based on (MC) Monte Carlo simulations of the structure of charged particle tracks. Although many MC codes exist and considerable progress is being made in the incorporation of detailed macromolecular target structures into these codes, much of the interaction

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461

doi:10.1016/j.copbio.2008.04.008  

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A A biophysical perspective on the cellulosome: new opportunities for biomass conversion Shi-You Ding 1 , Qi Xu 1 , Michael Crowley 1 , Yining Zeng 1 , Mark Nimlos 2 , Raphael Lamed 3 , Edward A Bayer 4 and Michael E Himmel 1 The cellulosome is a multiprotein complex, produced primarily by anaerobic microorganisms, which functions to degrade lignocellulosic materials. An important topic of current debate is whether cellulosomal systems display greater ability to deconstruct complex biomass materials (e.g. plant cell walls) than nonaggregated enzymes, and in so doing would be appropriate for improved, commercial bioconversion processes. To sufficiently understand the complex macromolecular processes between plant cell wall polymers, cellulolytic microbes, and their secreted enzymes, a highly concerted research approach is required. Adaptation of existing biophysical techniques

462

 

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Palumbo serves as panelist for National Science Foundation Palumbo serves as panelist for National Science Foundation OAK RIDGE, Tenn., Dec. 11, 1995 - Dr. Anthony V. Palumbo, group leader for microbial interactions in the Environmental Sciences Division of the Department of Energy's (DOE) Oak Ridge National Laboratory (ORNL), was invited by the National Science Foundat ion (NSF) to participate in the review of the 1995 Small Business Innovation Research Phase I proposals on biotechnical, biophysical and macromolecular systems. The foundation's mission is to promote the progress of science and engineering. Each year, the NSF provides grants to small businesses to attempt high-risk, high-quality research that will likely lead to commercial applications. Palumbo and a panel of 11 researchers reviewed the applications from this year's small business applicants in the area of

463

Self-assembly of Chiral Tubules  

E-Print Network (OSTI)

The efficient and controlled assembly of complex structures from macromolecular building blocks is a critical open question in both biological systems and nanoscience. Using molecular dynamics simulations we study the self-assembly of tubular structures from model macromolecular monomers with multiple binding sites on their surfaces [Cheng et al., Soft Matter 8, 5666-5678 (2012)]. In this work we add chirality to the model monomer and a lock-and-key interaction. The self-assembly of free monomers into tubules yields a pitch value that often does not match the chirality of the monomer (including achiral monomers). We show that this mismatch occurs because of a twist deformation that brings the lateral interaction sites into alignment when the tubule pitch differs from the monomer chirality. The energy cost for this deformation is small as the energy distributions substantially overlap for small differences in the pitch and chirality. In order to control the tubule pitch by preventing the twist deformation, the interaction between the vertical surfaces must be increased without resulting in kinetically trapped structures. For this purpose, we employ the lock-and-key interactions and obtain good control of the self-assembled tubule pitch. These results explain some fundamental features of microtubules. The vertical interaction strength is larger than the lateral in microtubules because this yields a controlled assembly of tubules with the proper pitch. We also generally find that the control of the assembly into tubules is difficult, which explains the wide range of pitch and protofilament number observed in microtubule assembly.

Shengfeng Cheng; Mark J. Stevens

2013-11-19T23:59:59.000Z

464

NREL: Energy Sciences - Roman Brunecky  

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Roman Brunecky Roman Brunecky Research Scientist Photo of Roman Brunecky Phone: (303) 384-6878 Email: roman.brunecky@nrel.gov At NREL Since: 2007 Roman Brunecky received his Ph.D. in Pharmacology from the University of Colorado Health Sciences Center in 2007. His advisors were Tatiana Kutateladze and Michael Overduin. He worked on characterizing the interaction between a-synuclein and the C-terminus of the dopamine transporter. At NREL, Dr. Brunecky's research has focused on the development of high-throughput robotic assays for testing the efficacy of biomass conversion enzymes. He has also developed novel robotic methods for both mass spectrometry and x-ray crystallography. Furthermore, he has used his experience in protein expression and purification to identify and characterize novel bioconversion enzymes in conjunction with industrial

465

A New Light on Disordered Ensembles  

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A New Light on Disordered Ensembles Print A New Light on Disordered Ensembles Print Because individual biomolecules are very small, x-ray scattering experiments usually determine their structures by an analysis of scattering from a large number of them. In crystallography, scattering by many molecules in identical orientations vastly enhances the signal from a single molecule. However, not all biomolecules form crystals. They are more usually found in disordered ensembles in aqueous solutions or in biomembranes. Now, researchers from Arizona State University, SLAC National Accelerator Center, Berkeley Lab, Brookhaven National Laboratory, and the University of Wisconsin-Milwaukee have performed, at ALS Beamline 9.0.1, the first experimental demonstration of a method that amplifies the information in the x-rays that scatter from disordered biomolecules, allowing the reconstruction of an image of a single molecule from fluctuations in the scattering from an ensemble of randomly oriented copies.

466

Research Areas  

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Areas Areas Research Areas Print Scientists from a wide variety of fields come to the ALS to perform experiements. Listed below are some of the most common research areas covered by ALS beamlines. Below each heading are a few examples of the specific types of topics included in that category. Click on a heading to learn more about that research area at the ALS. Energy Science Photovoltaics, photosynthesis, biofuels, energy storage, combustion, catalysis, carbon capture/sequestration. Bioscience General biology, structural biology. Materials/Condensed Matter Correlated materials, nanomaterials, magnetism, polymers, semiconductors, water, advanced materials. Physics Atomic, molecular, and optical (AMO) physics; accelerator physics. Chemistry Surfaces/interfaces, catalysts, chemical dynamics (gas-phase chemistry), crystallography, physical chemistry.

467

Beamline 5.0.1  

NLE Websites -- All DOE Office Websites (Extended Search)

1 Print 1 Print Berkeley Center for Structural Biology (BCSB) Monochromatic protein crystallography Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics 11.4-cm-period wiggler (W11) Energy range 12.7 keV (fixed) Monochromator Si(220) Asymmetric cut single crystal Measured flux 1.50 x 1011 photons/s at 400-mA ring current, with 1.5-mrad divergence and 100-µm pinhole collimator Resolving power (E/ΔE) ~10,000 Divergence at sample 3.0 (h) x 0.4 (v) mrad (user selectable) Spot size 100 µm Endstations Standard hutch Detectors 3 x 3 CCD array (ADSC Q315R) Sample format Single crystals of biological molecules Sample preparation Support labs available

468

Probing Spatial, Electronic Structures with X-ray Scattering, Spectroscopic  

NLE Websites -- All DOE Office Websites (Extended Search)

Probing Spatial, Electronic Structures with X-ray Scattering, Spectroscopic Probing Spatial, Electronic Structures with X-ray Scattering, Spectroscopic Techniques Wednesday, September 5, 2012 - 10:45am SLAC, Bldg. 137, Room 226 Gang Chen Seminar: Structures at atomic scales are traditionally determined through X-ray crystallography that amplifies scattering intensities by introducing spatial periodicity. For amorphous materials and many macromolecules, such as viruses, proteins and biofilms, it is hard to determine structures due to their incapability to crystallize or change of configuration during crystallization. In this talk, I will present the application of X-ray reflectivity and a newly developed fluctuation X-ray scattering technique to study the structures of lipid membranes and randomly oriented nanoparticles. Three different types of domain registrations occurring with

469

First Detailed Look at RNA Dicer  

NLE Websites -- All DOE Office Websites (Extended Search)

Detailed Look at RNA Dicer Print Detailed Look at RNA Dicer Print Scientists have gotten their first detailed look at the molecular structure of an enzyme that Nature has been using for eons to help silence unwanted genetic messages. A team of researchers with Berkeley Lab and the University of California, Berkeley, used x-ray crystallography at ALS Beamlines 8.2.1 and 8.2.2 to determine the crystal structure of Dicer, an enzyme that plays a critical role in a process known as RNA interference. The Dicer enzyme is able to snip a double-stranded form of RNA into segments that can attach themselves to genes and block their activity. With this crystal structure, the researchers learned that Dicer serves as a molecular ruler, with a clamp at one end and a cleaver at the other end a set distance away, that produces RNA fragments of an ideal size for gene-silencing.

470

Scattering  

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Scattering Print Scattering Print When a crystalline sample is illuminated with x-rays, the x-rays are scattered (diffracted) into very specific directions with various intensities. Detectors are used to measure this "diffraction pattern," which is then processed by computers to deduce the arrangement of atoms within the crystal. Hard x-rays have wavelengths comparable to the distance between atoms. Essentially everything we know about the atomic structure of materials is based on results from x-ray and neutron diffraction. From advanced ceramics to catalysts, from semiconductor technology to the frontiers of medicine, and from new magnetic materials and devices to framework compounds used to sequester radioactive waste, crystallography using hard x-ray diffraction techniques at synchrotron radiation facilities plays a crucial role in our ability to understand and control the world in which we live.

471

Dynein Motor Domain Shows Ring-Shaped Motor, Buttress  

NLE Websites -- All DOE Office Websites (Extended Search)

Dynein Motor Domain Shows Ring-Shaped Motor, Buttress Print Dynein Motor Domain Shows Ring-Shaped Motor, Buttress Print Movement is fundamental to life. It takes place even at the cellular level where cargo is continually being transported by motor proteins. These tiny machines convert the energy gained from hydrolysing ATP into a series of small conformational changes that allow them to literally "walk" along microscopic tracks. Motor proteins (in the kinesin and myosin families) have been extensively studied by x-ray crystallography, but until recently there was little molecular structural information for dyneins, another type of motor protein. A group from the University of California, San Francisco, working at ALS Beamline 8.3.1 has reported the 6-Å-resolution structure of the motor domain of dynein in yeast. It reveals details of the ring-shaped motor as well as a new, unanticipated feature called the buttress that may play an important role in dynein's mechanical cycle.

472

Logos 2001 APS Articles  

NLE Websites -- All DOE Office Websites (Extended Search)

1 1 A quarterly magazine about Argonne research. The Argonne Logos articles in this section focus on APS-related research. Volume 19, no. 2 - Fall 2001 Argonne's SBC provides a close look at life's construction workers Diagram of X-ray crystallography at teh APS Evidence of human construction work is all around us: on the roads we travel, in the buildings we occupy and now even in outer space... But one form of "human construction" quietly does its job without making the daily news or creating the slightest bit of noise or inconvenience, unless its machinery goes highly awry. This is the construction that has gone on inside every human cell - and probably every cell that has ever existed - since life began on Earth 3.5 billion years ago. Right now these cellular construction workers, called

473

Beamline 5.0.2  

NLE Websites -- All DOE Office Websites (Extended Search)

2 Print 2 Print Berkeley Center for Structural Biology (BCSB) Multiple-wavelength anomalous diffraction (MAD) and monochromatic protein crystallography Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics 11.4-cm period wiggler (W11) Energy range 5-16 keV Monochromator Double-crystal, Si(111) liquid N2 cooled Measured flux at 12.4 keV 8.0 x 1011 photons/s at 400-mA ring current, with 1.5-mrad convergence and 100-µm pinhole collimator Resolving power (E/ΔE) 7,000 Divergence at sample 3.0(h) x 0.4 (v) mrad (user selectable) Spot size 25-125 µm (user selectable) Endstations Standard hutch Characteristics Single axis, air bearing goniometer; CCD detector, low-temperature system

474

Crystallographic Consulting Brings Research to the ALS  

NLE Websites -- All DOE Office Websites (Extended Search)

Crystallographic Consulting Brings Crystallographic Consulting Brings Research to the ALS Crystallographic Consulting Brings Research to the ALS Print Wednesday, 06 February 2013 15:50 cc Tom Pauly and Josh Stillwell, managing partners at Crystallographic Consulting, have a rich history as synchrotron users. It is likely because of this that they're entrusted with the protein crystallography research for about 15 cutting-edge pharmaceutical companies. They conduct most of their research at ALS Beamline 5.0.2. Crystallographic Consulting has a varied client base that includes many of the participating research team (PRT) members at the Berkeley Center for Structural Biology (BCSB), which operates five ALS beamlines. As PRT members, companies are guaranteed a certain amount of beam time. Crystallographic Consulting also contracts beam time for another 10-12 companies. Pauly spends about 15-20 hours a week at the ALS, with most of his research supporting pharmaceutical companies working on new treatments for metabolic diseases and cancer.

475

Energy Blog | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

Energy.gov » Energy Blog Energy.gov » Energy Blog Energy Blog RSS June 22, 2012 The Big Green Bus visited the Energy Department and Secretary Chu this Tuesday. Ten Dartmouth students are touring the nation on the Big Green Bus to build enthusiasm for community involvement through environmental action. This is the 8th year this completely student run initiative has hit the road to travel 12,000 miles across 24 states on a reused, veggie-powered Greyhound bus. | Image: Justin Vandenbroeck, Energy Department Photo of the Week: June 22, 2012 Check out our favorite energy-related photos! June 22, 2012 This rendering shows a lysozyme structural model against its X-ray diffraction pattern from SLAC's Linac Coherent Light Source (LCLS), a powerful X-ray laser facility. Researchers have achieved high-resolution images of these simple biomolecules using advanced crystallography at LCLS. | Photo by Anton Barty/DESY

476

A New Light on Disordered Ensembles  

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A New Light on Disordered Ensembles Print A New Light on Disordered Ensembles Print Because individual biomolecules are very small, x-ray scattering experiments usually determine their structures by an analysis of scattering from a large number of them. In crystallography, scattering by many molecules in identical orientations vastly enhances the signal from a single molecule. However, not all biomolecules form crystals. They are more usually found in disordered ensembles in aqueous solutions or in biomembranes. Now, researchers from Arizona State University, SLAC National Accelerator Center, Berkeley Lab, Brookhaven National Laboratory, and the University of Wisconsin-Milwaukee have performed, at ALS Beamline 9.0.1, the first experimental demonstration of a method that amplifies the information in the x-rays that scatter from disordered biomolecules, allowing the reconstruction of an image of a single molecule from fluctuations in the scattering from an ensemble of randomly oriented copies.

477

Proposal Review Panel | Stanford Synchrotron Radiation Lightsource  

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Proposal Review Panel Proposal Review Panel Submitting a proposal is the first step to access beam time at SSRL. Proposals are peer reviewed and rated by the SSRL Proposal Review Panel (PRP) on a scale from 1 (highest) to 5 (lowest). Successful proposals are eligble to request and may be awarded beam time on SSRL beam lines, with priority given to the highest rated proposals and those which demonstrate efficient and productive use of beam time. We have three proposal calls per year with one on-site PRP meeting at SSRL annually. Access Policy The work of the PRP is accomplished with four subpanels: BIO - The biology panel reviews proposals requesting beam time for imaging, X-ray spectroscopic studies, small-angle scattering experiments, and crystallography of biologically important samples.

478

Research Areas  

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Research Areas Print Research Areas Print Scientists from a wide variety of fields come to the ALS to perform experiements. Listed below are some of the most common research areas covered by ALS beamlines. Below each heading are a few examples of the specific types of topics included in that category. Click on a heading to learn more about that research area at the ALS. Energy Science Photovoltaics, photosynthesis, biofuels, energy storage, combustion, catalysis, carbon capture/sequestration. Bioscience General biology, structural biology. Materials/Condensed Matter Correlated materials, nanomaterials, magnetism, polymers, semiconductors, water, advanced materials. Physics Atomic, molecular, and optical (AMO) physics; accelerator physics. Chemistry Surfaces/interfaces, catalysts, chemical dynamics (gas-phase chemistry), crystallography, physical chemistry.

479

The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90  

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The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90 Print The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90 Print The previously undetected fullerene D5h(1)-C90-with a distinct nanotubular shape-has been isolated as the major C90 isomer produced from Sm2O3-doped graphite rods and structurally identified by single-crystal x-ray diffraction. Fullerenes are well-defined molecules that consist of closed cages of carbon atoms and distinct inside and outside surfaces. They tend to form very small crystals; consequently, high-resolution data was collected using small-molecule crystallography at ALS Beamline 11.3.1. The discovery of nanotubular D5h(1)-C90, which is a fullerene with 90 carbon atoms and D5h symmetry, opens a bridge between molecular fullerenes and carbon nanotubes. Fullerenes Mimicking Nanotubes

480

California | Department of Energy  

Energy.gov (U.S. Department of Energy (DOE)) Indexed Site

June 22, 2012 June 22, 2012 This rendering shows a lysozyme structural model against its X-ray diffraction pattern from SLAC's Linac Coherent Light Source (LCLS), a powerful X-ray laser facility. Researchers have achieved high-resolution images of these simple biomolecules using advanced crystallography at LCLS. | Photo by Anton Barty/DESY Cracking Molecular Structures with Bright Lights - and a Few Good Eggs How scientists are cracking a few new protein structures thanks to a successful experimental coup by researchers at the SLAC. June 20, 2012 The Story of a Cutting-Edge Solar Startup Alta Devices is rethinking how low cost, high performance solar cells are made. June 19, 2012 EIS-0431: Amended Notice of Intent to Prepare an Environmental Impact Statement and Notice of Potential Floodplain and Wetland Involvement

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481

APS User News-at-a-Glance 2006 Year-End Index  

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7 7 2006 2005 2004 2003 2002 2001 2000 APS User News-at-a-Glance Year-End Index 2007 Issue 41 (02.27.07) CONTENTS MESSAGE FROM MURRAY -- Operations budget expected to be restored -- President's fiscal year 2008 budget is promising SCIENCE NEWS 1. Cross-cut Review of Protein Crystallography 2. Current Research Highlights FACILITY NEWS 3. Scientific Advisory Committee--2007 Meeting, New Members 4. "New and Improved" Beamline and Technique Directories Now Available USER MATTERS 5. Proposal Deadline Is March 9; Consult System for Proposal Expiration 6. User Meeting Is Now User Week --Web Site Open for Abstracts, Registration PEOPLE NEWS -- George Srajer Heads X-ray Operations and Research BRIEFLY NOTED -- User room rate increased slightly to $57.50 Issue 42 (04.03.07)

482

Structure of the Kinase Domain of CaMKII and Modeling the Holoenzyme  

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Structure of the Kinase Domain of CaMKII and Modeling the Holoenzyme Print Structure of the Kinase Domain of CaMKII and Modeling the Holoenzyme Print The rate and intensity of calcium (Ca2+) currents that oscillate through the plasma membrane around a cell affect such diverse phenomena as fertilization, the cardiac rhythm, and even the formation of memories. How does the cell sense these digital oscillations and transduce them into a cellular signal, such as changes in phosphorylation (addition of a phosphate group to a protein) or gene transcription? A group from the University of California, Berkeley, the Yale University School of Medicine, and Berkeley Lab has combined protein crystallography and small-angle x-ray scattering to give a first glimpse into what this conversion may look like as well as the structural consequences of the conversion.

483

Finding the Controls of a Go-To Enzyme | Advanced Photon Source  

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Watching Liquids Separate at White Heat Watching Liquids Separate at White Heat A New Spin on Inducing Chirality in Pre-biological Molecules How Ancient Rock Got Off to a Hot Start A Quantum of Vibration in an Unexpected Place A Virus That Can Infect Lung Cancer Cells Science Highlights Archives: 2013 | 2012 | 2011 | 2010 2009 | 2008 | 2007 | 2006 2005 | 2004 | 2003 | 2002 2001 | 2000 | 1998 | Subscribe to APS Science Highlights rss feed Finding the Controls of a Go-To Enzyme DECEMBER 16, 2008 Bookmark and Share Overall structure shows of the calpain enzyme as determined by x-ray crystallography. A molecular enzyme that is involved in many necessary and beneficial cellular processes would seem to be a friend best left to go about its business. But when a defective or overactive variation of that same enzyme,

484

Beamline 5.0.2  

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2 Print 2 Print Berkeley Center for Structural Biology (BCSB) Multiple-wavelength anomalous diffraction (MAD) and monochromatic protein crystallography Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics 11.4-cm period wiggler (W11) Energy range 5-16 keV Monochromator Double-crystal, Si(111) liquid N2 cooled Measured flux at 12.4 keV 8.0 x 1011 photons/s at 400-mA ring current, with 1.5-mrad convergence and 100-µm pinhole collimator Resolving power (E/ΔE) 7,000 Divergence at sample 3.0(h) x 0.4 (v) mrad (user selectable) Spot size 25-125 µm (user selectable) Endstations Standard hutch Characteristics Single axis, air bearing goniometer; CCD detector, low-temperature system

485

Dynein Motor Domain Shows Ring-Shaped Motor, Buttress  

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Dynein Motor Domain Shows Ring-Shaped Motor, Buttress Print Dynein Motor Domain Shows Ring-Shaped Motor, Buttress Print Movement is fundamental to life. It takes place even at the cellular level where cargo is continually being transported by motor proteins. These tiny machines convert the energy gained from hydrolysing ATP into a series of small conformational changes that allow them to literally "walk" along microscopic tracks. Motor proteins (in the kinesin and myosin families) have been extensively studied by x-ray crystallography, but until recently there was little molecular structural information for dyneins, another type of motor protein. A group from the University of California, San Francisco, working at ALS Beamline 8.3.1 has reported the 6-Å-resolution structure of the motor domain of dynein in yeast. It reveals details of the ring-shaped motor as well as a new, unanticipated feature called the buttress that may play an important role in dynein's mechanical cycle.

486

The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90  

NLE Websites -- All DOE Office Websites (Extended Search)

The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90 Print The Surprising Appearance of Nanotubular Fullerene D5h(1)-C90 Print The previously undetected fullerene D5h(1)-C90-with a distinct nanotubular shape-has been isolated as the major C90 isomer produced from Sm2O3-doped graphite rods and structurally identified by single-crystal x-ray diffraction. Fullerenes are well-defined molecules that consist of closed cages of carbon atoms and distinct inside and outside surfaces. They tend to form very small crystals; consequently, high-resolution data was collected using small-molecule crystallography at ALS Beamline 11.3.1. The discovery of nanotubular D5h(1)-C90, which is a fullerene with 90 carbon atoms and D5h symmetry, opens a bridge between molecular fullerenes and carbon nanotubes. Fullerenes Mimicking Nanotubes

487

Beamline 5.0.3  

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3 Print 3 Print Berkeley Center for Structural Biology (BCSB) Monochromatic protein crystallography Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics 11.4-cm-period wiggler (W11) Energy range 12,700 eV(fixed) Monochromator Asymmetric cut single crystal Si(220) Measured flux 2.4 x 1011 photons/s at 400-mA ring current, with 1.5-mrad divergence and 100-µm pinhole collimator Divergence at sample 3.0 (h) x 0.4 (v) mrad (user selectable) Spot size 100 µm Endstations Standard hutch Detectors 3 x 3 CCD array (ADSC Q315R) Sample format Single crystals of biological molecules Sample preparation Support labs available; automated sample mounting system

488

Beamline 5.0.2  

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2 Print 2 Print Berkeley Center for Structural Biology (BCSB) Multiple-wavelength anomalous diffraction (MAD) and monochromatic protein crystallography Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics 11.4-cm period wiggler (W11) Energy range 5-16 keV Monochromator Double-crystal, Si(111) liquid N2 cooled Measured flux at 12.4 keV 8.0 x 1011 photons/s at 400-mA ring current, with 1.5-mrad convergence and 100-µm pinhole collimator Resolving power (E/ΔE) 7,000 Divergence at sample 3.0(h) x 0.4 (v) mrad (user selectable) Spot size 25-125 µm (user selectable) Endstations Standard hutch Characteristics Single axis, air bearing goniometer; CCD detector, low-temperature system

489

JGI - Structural Genomics Program  

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Structural Genomics Program Structural Genomics Program The structural characterization of proteins of unknown function can be described as structural genomics, an approach in which structure determination by X-ray crystallography supplies key functional information. This is exemplified by studies of the carboxysome. The structures of the first carboxysome shell proteins (Kerfeld et al., Science 2005) confirmed earlier hypotheses that they are indeed the basic building blocks of the carboxysome shell; the quaternary structure and the higher order assemblies of the proteins in the crystals provided insight into how they assemble into shell facets. Likewise, our structure of the carboxysome component CsoS3 revealed that it was a member of the beta-carbonic family, despite having no detectable sequence homology at the level of primary structure

490

Scattering  

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Scattering Print Scattering Print When a crystalline sample is illuminated with x-rays, the x-rays are scattered (diffracted) into very specific directions with various intensities. Detectors are used to measure this "diffraction pattern," which is then processed by computers to deduce the arrangement of atoms within the crystal. Hard x-rays have wavelengths comparable to the distance between atoms. Essentially everything we know about the atomic structure of materials is based on results from x-ray and neutron diffraction. From advanced ceramics to catalysts, from semiconductor technology to the frontiers of medicine, and from new magnetic materials and devices to framework compounds used to sequester radioactive waste, crystallography using hard x-ray diffraction techniques at synchrotron radiation facilities plays a crucial role in our ability to understand and control the world in which we live.

491

Dynein Motor Domain Shows Ring-Shaped Motor, Buttress  

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Dynein Motor Domain Shows Ring-Shaped Motor, Buttress Print Dynein Motor Domain Shows Ring-Shaped Motor, Buttress Print Movement is fundamental to life. It takes place even at the cellular level where cargo is continually being transported by motor proteins. These tiny machines convert the energy gained from hydrolysing ATP into a series of small conformational changes that allow them to literally "walk" along microscopic tracks. Motor proteins (in the kinesin and myosin families) have been extensively studied by x-ray crystallography, but until recently there was little molecular structural information for dyneins, another type of motor protein. A group from the University of California, San Francisco, working at ALS Beamline 8.3.1 has reported the 6-Å-resolution structure of the motor domain of dynein in yeast. It reveals details of the ring-shaped motor as well as a new, unanticipated feature called the buttress that may play an important role in dynein's mechanical cycle.

492

Beamline 5.0.3  

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3 Print 3 Print Berkeley Center for Structural Biology (BCSB) Monochromatic protein crystallography Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics 11.4-cm-period wiggler (W11) Energy range 12,700 eV(fixed) Monochromator Asymmetric cut single crystal Si(220) Measured flux 2.4 x 1011 photons/s at 400-mA ring current, with 1.5-mrad divergence and 100-µm pinhole collimator Divergence at sample 3.0 (h) x 0.4 (v) mrad (user selectable) Spot size 100 µm Endstations Standard hutch Detectors 3 x 3 CCD array (ADSC Q315R) Sample format Single crystals of biological molecules Sample preparation Support labs available; automated sample mounting system

493

Beamline 5.0.1  

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1 Print 1 Print Berkeley Center for Structural Biology (BCSB) Monochromatic protein crystallography Scientific discipline: Structural biology GENERAL BEAMLINE INFORMATION Operational Yes Proposal cycle Proposals for Structural Biology Beamlines (2-month cycle) Source characteristics 11.4-cm-period wiggler (W11) Energy range 12.7 keV (fixed) Monochromator Si(220) Asymmetric cut single crystal Measured flux 1.50 x 1011 photons/s at 400-mA ring current, with 1.5-mrad divergence and 100-µm pinhole collimator Resolving power (E/ΔE) ~10,000 Divergence at sample 3.0 (h) x 0.4 (v) mrad (user selectable) Spot size 100 µm Endstations Standard hutch Detectors 3 x 3 CCD array (ADSC Q315R) Sample format Single crystals of biological molecules Sample preparation Support labs available

494

Cool Magnetic Molecules  

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Cool Magnetic Molecules Print Cool Magnetic Molecules Print Certain materials are known to heat up or cool down when they are exposed to a changing magnetic field. This is known as the magnetocaloric effect. All magnetic materials exhibit this effect, but in most cases, it is too small to be technologically useful. Recently, however, the search for special molecules with a surprisingly large capacity to keep cool has heated up, driven by environmental and cost considerations as well as by recent improvements in our ability to design, assemble, and probe the structure and chemistry of small molecules. An international collaboration of researchers from Spain, Scotland, and the U.S. has utilized ALS Beamline 11.3.1 (small-molecule crystallography) to characterize the design of such "molecular coolers." The work targets the synthesis of molecular cluster compounds containing many unpaired electrons ("nanomagnets") for applications involving enhanced magnetic refrigeration at very low temperatures.

495

Dynein Motor Domain Shows Ring-Shaped Motor, Buttress  

NLE Websites -- All DOE Office Websites (Extended Search)

Dynein Motor Domain Shows Ring-Shaped Motor, Buttress Print Dynein Motor Domain Shows Ring-Shaped Motor, Buttress Print Movement is fundamental to life. It takes place even at the cellular level where cargo is continually being transported by motor proteins. These tiny machines convert the energy gained from hydrolysing ATP into a series of small conformational changes that allow them to literally "walk" along microscopic tracks. Motor proteins (in the kinesin and myosin families) have been extensively studied by x-ray crystallography, but until recently there was little molecular structural information for dyneins, another type of motor protein. A group from the University of California, San Francisco, working at ALS Beamline 8.3.1 has reported the 6-Å-resolution structure of the motor domain of dynein in yeast. It reveals details of the ring-shaped motor as well as a new, unanticipated feature called the buttress that may play an important role in dynein's mechanical cycle.

496

A New Light on Disordered Ensembles  

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A New Light on Disordered Ensembles Print A New Light on Disordered Ensembles Print Because individual biomolecules are very small, x-ray scattering experiments usually determine their structures by an analysis of scattering from a large number of them. In crystallography, scattering by many molecules in identical orientations vastly enhances the signal from a single molecule. However, not all biomolecules form crystals. They are more usually found in disordered ensembles in aqueous solutions or in biomembranes. Now, researchers from Arizona State University, SLAC National Accelerator Center, Berkeley Lab, Brookhaven National Laboratory, and the University of Wisconsin-Milwaukee have performed, at ALS Beamline 9.0.1, the first experimental demonstration of a method that amplifies the information in the x-rays that scatter from disordered biomolecules, allowing the reconstruction of an image of a single molecule from fluctuations in the scattering from an ensemble of randomly oriented copies.

497

APS User News-at-a-Glance, Issue 29  

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29: January 24, 2005 29: January 24, 2005 APS Community Mourns Howard Birnbaum, Long-time Friend and Advisor Message from Murray : Scientific Strategic Plan Nearing Completion Cross-cut review on January 26: Science requiring the pulsed structure of the APS x-ray beam Research highlight: In situ kinetics study reveals a key to consistent self-assembly of nanocrystal superlattices Users Meeting May 2-6 celebrates anniversary, beginning Mail-in crystallography program introduced for general users General User update: More beamlines, extra beam time, next deadline Users invited to support accelerator research through American Physical Society People news: New leadership in accelerator operations, x-ray microscopy, and ESH/QA; Joanne Day retiring in March Administrative dates and deadlines

498

Cool Magnetic Molecules  

NLE Websites -- All DOE Office Websites (Extended Search)

Cool Magnetic Molecules Print Cool Magnetic Molecules Print Certain materials are known to heat up or cool down when they are exposed to a changing magnetic field. This is known as the magnetocaloric effect. All magnetic materials exhibit this effect, but in most cases, it is too small to be technologically useful. Recently, however, the search for special molecules with a surprisingly large capacity to keep cool has heated up, driven by environmental and cost considerations as well as by recent improvements in our ability to design, assemble, and probe the structure and chemistry of small molecules. An international collaboration of researchers from Spain, Scotland, and the U.S. has utilized ALS Beamline 11.3.1 (small-molecule crystallography) to characterize the design of such "molecular coolers." The work targets the synthesis of molecular cluster compounds containing many unpaired electrons ("nanomagnets") for applications involving enhanced magnetic refrigeration at very low temperatures.

499

Cool Magnetic Molecules  

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Cool Magnetic Molecules Cool Magnetic Molecules Cool Magnetic Molecules Print Wednesday, 25 May 2011 00:00 Certain materials are known to heat up or cool down when they are exposed to a changing magnetic field. This is known as the magnetocaloric effect. All magnetic materials exhibit this effect, but in most cases, it is too small to be technologically useful. Recently, however, the search for special molecules with a surprisingly large capacity to keep cool has heated up, driven by environmental and cost considerations as well as by recent improvements in our ability to design, assemble, and probe the structure and chemistry of small molecules. An international collaboration of researchers from Spain, Scotland, and the U.S. has utilized ALS Beamline 11.3.1 (small-molecule crystallography) to characterize the design of such "molecular coolers." The work targets the synthesis of molecular cluster compounds containing many unpaired electrons ("nanomagnets") for applications involving enhanced magnetic refrigeration at very low temperatures.

500

Proteins  

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Bioscience: Bioenergy, Biosecurity, and Health » Bioscience: Bioenergy, Biosecurity, and Health » Proteins Protein Engineering, Structure, and Function Los Alamos scientists seek a comprehensive understanding of the structure and function of proteins which can lead to a multitude of possibilities, such as enhancing cellulose degradation for biofuels or creating new therapeutics. Get Expertise Cliff Unkefer Director, Protein Crystallography Station Email Tom Terwilliger Laboratory Fellow Email Andrew Bradbury Bioscience Group Leader Email Rebecca McDonald Bioscience Communications Email Los Alamos scientists are developing mosaic proteins that may one day become the first viable vaccine that can protect humans from HIV, the virus that causes AIDS. Scientists manipulate and mimic proteins for use in creating solutions for