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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.


1

A Beam line for Macromolecular Crystallography in ALBA  

SciTech Connect (OSTI)

ALBA is a third generation 3 GeV storage ring being built near Barcelona and foreseen to be operational in 2010. Out of the seven beamlines already funded in ALBA, one will be dedicated to macromolecular crystallography (MX). The beamline, dubbed XALOC, shall cope with a broad range of crystal structures and sizes. To this aim, a flexible optical design involving variable focusing optics has been incorporated into the beamline optics. The photon source will be a 2 m long, in-vacuum undulator with a period of 21.3 mm. The optics will consist in a Si(111), double-crystal monochromator cryogenically cooled, and a pair of mirrors placed in a Kirkpatrick-Baez configuration. The beamline will deliver a high flux beam in the 5-15 keV energy range, with an energy resolution of {delta}E/E {approx}2 x 10-4. In addition to the main beamline, it is being considered the possibility to use a diamond laue monochromator to provide photons at a fixed wavelength to an ancillary branch. This report shows the present status of the beamline design.

Juanhuix, Jordi; Ferrer, Salvador [CELLS -ALBA Synchrotron, Ed. Ciencies, Campus UAB, 08193 Bellaterra, Barcelona (Spain)

2007-01-19T23:59:59.000Z

2

Neutron Macromolecular Crystallography (NMC) can provide accurate hydrogen atom  

E-Print Network [OSTI]

Neutron Macromolecular Crystallography (NMC) can provide accurate hydrogen atom positions crystals at a moderate 2 Ã? resolution. The advent of the Spallation Neutron Source (SNS neutron diffractometer (MaNDi) has been constructed at the SNS and is now operational. July 15-16, 2014

Pennycook, Steve

3

JBluIce-EPICS control system for macromolecular crystallography.  

SciTech Connect (OSTI)

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

4

Proposal Submittal and Scheduling Procedures for Macromolecular...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Proposal Submittal and Scheduling Procedures for Macromolecular Crystallography Beam time for macromolecular crystallography projects is obtained by submitting an SSRL...

5

SMB, Macromolecular Crystallography  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

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6

Macromolecular Crystallography - Beamline facilities  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

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7

Resources for Macromolecular Crystallography | Advanced Photon Source  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

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8

Instrumentation upgrades for the Macromolecular Crystallography beamlines  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-SeriesFlickrinformation for and Novel ComputationalBeckyScience &

9

International summer school on macromolecular crystallographic computing. Final report  

SciTech Connect (OSTI)

The School was the seventh in a series of International Union of Crystallography (IUCr) Crystallographic Symposia. The format of the School was formal lectures in the morning, tutorials in the afternoon, and software demonstrations and more lectures in the evening. The full program which left both the organizers and attendees exhausted, reflects the current state of excitement in the field of macromolecular structure determination using the technique of X-ray crystallography. The new and improved technologies and techniques described in these Proceedings are contributing to that growth and at the same time, as pointed out in the paper given by Sussman, creating challenges for the Protein Data Bank (PDB). As the School progressed, the authors were struck by the similarities to events which took place in small molecule crystallography beginning some 20 to 25 years ago. Growth then was fueled by the advent of new algorithms, affordable computer hardware, and good software. So it is today for macromolecular crystallography, but with the added bonus of the Internet which is changing how scientist conduct their research. Flack presented this view as part of his on-going contribution to how crystallographers use the Internet. After presentations discussing structures en masse they returned to the more traditional mode of presentation which parallels the determination of a single macromolecular structure: data collection -- phasing -- model building and visualization -- refinement.

NONE

1998-08-01T23:59:59.000Z

10

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

11

Cryogenic Neutron Protein Crystallography: routine methods and potential benefits  

SciTech Connect (OSTI)

The use of cryocooling in neutron diffraction has been hampered by several technical challenges such as the need for specialized equipment and techniques. Recently we have developed and deployed equipment and strategies that allow for routine neutron data collection on cryocooled crystals using off the shelf components. This system has several advantages, compared to a closed displex cooling system such as fast cooling coupled with easier crystal mounting and centering. The ability to routinely collect cryogenic neutron data for analysis will significantly broaden the range of scientific questions that can be examined by neutron protein crystallography. Cryogenic neutron data collection for macromolecules has recently become available at the new Biological Diffractometer BIODIFF at FRM II and the Macromolecular Diffractometer (MaNDi) at the Spallation Neutron Source, Oak Ridge National Laboratory. To evaluate the benefits of a cryocooled neutron structure we collected a full neutron data set on the BIODIFF instrument on a Toho-1 lactamase structure at 100K.

Weiss, Kevin L [ORNL; Tomanicek, Stephen J [ORNL; NG, Joseph D [ORNL

2014-01-01T23:59:59.000Z

12

An International Journal of MINERALOGY, CRYSTALLOGRAPHY, GEOCHEMISTRY,  

E-Print Network [OSTI]

, developed from the weathering of alumosilicate-rich parent rocks. These residual deposits are mainly formedAn International Journal of MINERALOGY, CRYSTALLOGRAPHY, GEOCHEMISTRY, ORE DEPOSITS, PETROLOGY

Boni, Maria

13

Nanostructure, Chemistry and Crystallography of Iron Nitride...  

Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

Nanostructure, Chemistry and Crystallography of Iron Nitride Magnetic Materials by Ultra-High-Resolution Electron Microscopy and Related Methods Nanostructure, Chemistry and...

14

Protein crystallography with spallation neutrons  

SciTech Connect (OSTI)

proteins and oriented molecular complexes. With spallation neutrons and their time dependent wavelength structure, one can select data with an optimal wavelength bandwidth and cover the whole Laue spectrum as time (wavelength) resolved diffraction data. This optimizes data quality with best peak to background ratios and provides spatial and energy resolution to eliminate peak overlaps. Such a Protein Crystallography Station (PCS) has been built and tested at Los Alamos Neutron Science Center. A partially coupled moderator is used to increase flux and data are collected by a Cylindrical He3 detector covering 120' with 200mm height. The PCS is described along with examples of data collected from a number of proteins.

Langan, P. (Paul); Schoenborn, Benno P.

2003-01-01T23:59:59.000Z

15

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

16

Serial Femtosecond Crystallography of G Protein-Coupled Receptors  

DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

Serial femtosecond crystallography data on microcrystals of 5-HT2B receptor bound to ergotamine grown in lipidic cubic phase.

Liu, Liu

17

MICROFLUIDICS-BASED STRATEGIES FOR PROTEIN CRYSTALLOGRAPHY  

E-Print Network [OSTI]

MICROFLUIDICS-BASED STRATEGIES FOR PROTEIN CRYSTALLOGRAPHY Thesis by Megan J. Anderson In Partial of this project. #12;iv I would also like to thank all of the microfluidic foundry technicians who provided me laboratories to produce high-quality protein crystals, the use of microfluidic technology for structural

Quake, Stephen R.

18

Media invited to join students in crystallography experiment  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

skills to the test Monday in the Protein Crystallography Station at the Los Alamos Research Park. The students will learn about the history and theory of X-ray...

19

Resilient data staging through MxN distributed transactions.  

SciTech Connect (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

20

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

DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

The Research Collaboratory for Structural Bioinformatics (RCSB) is a non-profit consortium that works to improve understanding of the function of biological systems through the study of the 3-D structure of biological macromolecules. The RCSB PDB is one of three sites serving as deposition, data processing, and distribution sites of the Protein Data Bank Archive. Each site provides its own view of the primary data, thus providing a variety of tools and resources for the global community. RCSB is also the official keeper for the PDB archive, with sole access authority to the PDB archive directory structure and contents. 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 forum, and links to other areas of related research. The PDB archive is a repository of atomic coordinates and other information describing proteins and other important biological macromolecules. Structural biologists use methods such as X-ray crystallography, NMR spectroscopy, and cryo-electron microscopy to determine the location of each atom relative to each other in the molecule. They then deposit this information, which is then annotated and publicly released into the archive by the wwPDB. Results can be viewed as 3-D images or models.

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

Automatic sample Dewar for MX beam-line  

SciTech Connect (OSTI)

It is very common for crystals of large biological macromolecules to show considerable variation in quality of their diffraction. In order to increase the number of samples that are tested for diffraction quality before any full data collections at the ESRF*, an automatic sample Dewar has been implemented. Conception and performances of the Dewar are reported in this paper. The automatic sample Dewar has 240 samples capability with automatic loading/unloading ports. The storing Dewar is capable to work with robots and it can be integrated in a full automatic MX** beam-line. The samples are positioned in the front of the loading/unloading ports with and automatic rotating plate. A view port has been implemented for data matrix camera reading on each sample loaded in the Dewar. At last, the Dewar is insulated with polyurethane foam that keeps the liquid nitrogen consumption below 1.6 L/h. At last, the static insulation also makes vacuum equipment and maintenance unnecessary. This Dewar will be useful for increasing the number of samples tested in synchrotrons.

Charignon, T.; Tanchon, J.; Trollier, T.; Ravex, A. [Absolut-System, Meylan, 38240 (France); Theveneau, P. [European Synchrotron Radiation Facility, Grenoble, 38000 (France)

2014-01-29T23:59:59.000Z

22

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

23

E-Print Network 3.0 - acid x-ray crystallography Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

crystallography would you recommend?" Unfortunately... this list when choosing their top ten books to read on the subject of X-ray ... Source: Meagher, Mary - Department of...

24

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.

25

Extending The Methodology Of X-ray Crystallography To Allow X-ray  

E-Print Network [OSTI]

, the radiation damage. While the radiation damage problem can be mitigated somewhat by using cryogenic techniques resolution without serious radiation damage to the specimens. Although X-ray crystallography becomesExtending The Methodology Of X-ray Crystallography To Allow X-ray Microscopy Without X-ray Optics

Miao, Jianwei "John"

26

E-Print Network 3.0 - aggravates capillary-alveolar macromolecular...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

supports the most talented students in chemistry, bio- chemistry, polymer and colloid... chemistry, polymer engineering, physics, biophysics and biology. Macromolecular Science is...

27

Workshop on algorithms for macromolecular modeling. Final project report, June 1, 1994--May 31, 1995  

SciTech Connect (OSTI)

A workshop was held on algorithms and parallel implementations for macromolecular dynamics, protein folding, and structural refinement. This document contains abstracts and brief reports from that workshop.

Leimkuhler, B.; Hermans, J.; Skeel, R.D.

1995-07-01T23:59:59.000Z

28

From: Methods in Molecular Biology, vol. 363: Macromolecular Crystallography Protocols: Volume 1: Preparation and Crystallization of Macromolecules Edited by: S. Doubli Humana Press Inc., Totowa, NJ  

E-Print Network [OSTI]

(MBP) has emerged as an attractive vehicle for the production of recombinant proteins (1,2). However protocol should be readily amenable to automation for high-throughput applications. 2. Materials 2

29

Atomistic Modeling of Macromolecular Crowding Predicts Modest Increases in Protein Folding and Binding Stability  

E-Print Network [OSTI]

Atomistic Modeling of Macromolecular Crowding Predicts Modest Increases in Protein Folding that macromolecular crowding can increase protein folding stability, but depending on details of the models (e.g., how on the effects of macro- molecular crowding on protein folding and binding stability has been reached. Crowders

Weston, Ken

30

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

31

Macromolecular Crystallization with Microfluidic Free-Interface Diffusion  

SciTech Connect (OSTI)

Fluidigm released the Topaz 1.96 and 4.96 crystallization chips in the fall of 2004. Topaz 1.96 and 4.96 are the latest evolution of Fluidigm's microfluidics crystallization technologies that enable ultra low volume rapid screening for macromolecular crystallization. Topaz 1.96 and 4.96 are similar to each other but represent a major redesign of the Topaz system and have of substantially improved ease of automation and ease of use, improved efficiency and even further reduced amount of material needed. With the release of the new Topaz system, Fluidigm continues to set the standard in low volume crystallization screening which is having an increasing impact in the field of structural genomics, and structural biology more generally. In to the future we are likely to see further optimization and increased utility of the Topaz crystallization system, but we are also likely to see further innovation and the emergence of competing technologies.

Segelke, B

2005-02-24T23:59:59.000Z

32

Superficies y Vaco 12, 39-44, Junio 2001 Sociedad Mexicana de Ciencia de Superficies y de Vaco. *Corresponding author, e-mail: mlopez@fis.cinvestav.mx  

E-Print Network [OSTI]

. *Corresponding author, e-mail: mlopez@fis.cinvestav.mx 39 Photoluminescence study of AlGaAs/GaAs quantum wells

Meléndez Lira, Miguel Angel

33

Crystallography of Interfaces and Grain Size Distributions in Sr-Doped LaMnO3  

E-Print Network [OSTI]

Crystallography of Interfaces and Grain Size Distributions in Sr-Doped LaMnO3 Qinyuan Liu,§ Sudip systems are similar. I. Introduction HIGH-TEMPERATURE solid oxide fuel cells (SOFCs) offer highly efficient, clean, direct conversion of chemical to electrical energy.1 SOFC performance is dictated

Rohrer, Gregory S.

34

PublishedbyManeyPublishing(c)IOMCommunicationsLtd Crystallography of Widmanstatten austenite in  

E-Print Network [OSTI]

in duplex stainless steel weld metal J. W. Abtibol Menezes1 , H. Abreu1,2 , S. Kundu3 , H. K. D. H of austenite. Keywords: Duplex stainless steels, Welding, Crystallography, Texture Introduction The combination of good mechanical properties and corrosion resistance of duplex stainless steel is attributed

Cambridge, University of

35

WHAT DOES DATABASE FEDERATION MEAN TO CRYSTALLOGRAPHY? Philip E. Bourne123  

E-Print Network [OSTI]

WHAT DOES DATABASE FEDERATION MEAN TO CRYSTALLOGRAPHY? Philip E. Bourne123 , Ilya N. Shindyalov1 More than ever crystallographers are faced with using a variety of databases, each with its own content, organization and query interface. Database federation offers the promise of a unified view of these disparate

Bourne, Philip E.

36

X-Ray Crystallography Facility Last update: June, 2006 410-413 Kasha Laboratory  

E-Print Network [OSTI]

X-Ray Crystallography Facility Last update: June, 2006 410-413 Kasha Laboratory Institute Badge/Ring Open the valve in building-chilled water X-Ray Generator Start-up & Shut-down Flowchart (Mar POWER on X-RAY panel Check vaccum- meter reading =

Weston, Ken

37

The study of biomass yield and macromolecular content of microalgae change as a function of physiological state and nutrient supply conditions  

E-Print Network [OSTI]

biomass and macromolecular content, nutrient composition and physiological states, the optimal growth condition and maximum biomass and biofuel productivity can be achieved. The aim of this study was to determined how the biomass and macromolecular content...

Chen, Guo

2013-12-31T23:59:59.000Z

38

Ballistic performance comparison of monolayer transition metal dichalcogenide MX{sub 2} (M = Mo, W; X = S, Se, Te) metal-oxide-semiconductor field effect transistors  

SciTech Connect (OSTI)

We study the transport properties of monolayer MX{sub 2} (M?=?Mo, W; X?=?S, Se, Te) n- and p-channel metal-oxide-semiconductor field effect transistors (MOSFETs) using full-band ballistic non-equilibrium Green's function simulations with an atomistic tight-binding Hamiltonian with hopping potentials obtained from density functional theory. We discuss the subthreshold slope, drain-induced barrier lowering (DIBL), as well as gate-induced drain leakage (GIDL) for different monolayer MX{sub 2} MOSFETs. We also report the possibility of negative differential resistance behavior in the output characteristics of nanoscale monolayer MX{sub 2} MOSFETs.

Chang, Jiwon; Register, Leonard F.; Banerjee, Sanjay K. [Microelectronics Research Center, The University of Texas at Austin, Austin, Texas 78758 (United States)

2014-02-28T23:59:59.000Z

39

Effect of Macromolecular Crowding on Protein Folding Dynamics at the Secondary Structure Level  

E-Print Network [OSTI]

Effect of Macromolecular Crowding on Protein Folding Dynamics at the Secondary Structure Level coupled to the process of protein folding in vivo. While previous studies have provided invaluable insight about how crowding affects protein folding dynamics at the secondary structure level. In this study, we

Shorter, James

40

Adaptive Visuo-Haptic Rendering for Hybrid Modeling of Macromolecular Assemblies  

E-Print Network [OSTI]

Adaptive Visuo-Haptic Rendering for Hybrid Modeling of Macromolecular Assemblies Stefan Birmanns1-time load balancing of virtual reality and haptic render- ing. In structural biology a variety of image rendering. During critical load conditions the error metric of a dynamic mesh simplification technique

Wriggers, Willy

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

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

SciTech Connect (OSTI)

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

Gaponov, Yu.A.; Igarashi, N.; Hiraki, M.; Sasajima, K.; Matsugaki, N.; Suzuki, M.; Kosuge, T.; Wakatsuki, S. [Structural Biology Research Center, Photon Factory, Institute of Materials Structure Science, High Energy Accelerator Research Organization, Tsukuba (Japan)

2004-05-12T23:59:59.000Z

42

Code Generation Through Annotation of Macromolecular Structure Data John Biggs 1 , Calton Pu 1 , and Philip Bourne 2  

E-Print Network [OSTI]

Code Generation Through Annotation of Macromolecular Structure Data John Biggs 1 , Calton Pu 1 & Technology P.O. Box 91000 Portland, OR 97291­1000 {biggs,calton}@cse.ogi.edu 2 San Diego Supercomputer Center

Bourne, Philip E.

43

The effects of captan and dieldrin on the growth and macromolecular synthesis of the cellular slime mold Dictyostelium discoideum  

E-Print Network [OSTI]

THE EFFECTS OF CAPTAN AND DIELDRIN ON THE GROWTH AND MACROMOLECULAR SYNTHESIS OF THE CELLULAR SLIME MOLD Dictyosteiium discoideum A Thesis by RODNEY JOHN BUSHWAY Submitted to the Graduate College of Texas A&M University in partial fulfillment... of the requirement for the degree of MASTER OF SCIENCE August 1973 Major Subject: Biochemistry and Biophysics THE EFFECTS OF CAFTAN AND DIELDRIN ON THE GROWTH AND MACROMOLECULAR SYNTHESIS OF THE CELLULAR SLIME MOLD Diotyosteiiwn discoidewn A Thesis by RODNEY...

Bushway, Rodney John

1973-01-01T23:59:59.000Z

44

Electron crystallography as an informative method for studying the structure of nanoparticles  

SciTech Connect (OSTI)

The overwhelming majority of modern nanotechnologies deal with nanoparticles owing to the great variety of their unusual properties, which make them irreplaceable in various fields of science and technology. Since the physical properties of nanoparticles depend on their composition, structure, and shape, the problem of monitoring these parameters both after and during formation of nanoparticles is very important. Methods of electron crystallography are most informative and appropriate for studying and monitoring nanoparticle parameters. In this review, we briefly report the main modern methods based on the use of electron diffraction and electron microscopy, along with examples of their applications for nanoparticles, to solve a number of urgent structural problems of nanomaterials science.

Avilov, A. S., E-mail: avilovanatoly@mail.ru [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Gubin, S. P. [Russian Academy of Sciences, Kurnakov Institute of General and Inorganic Chemistry (Russian Federation)] [Russian Academy of Sciences, Kurnakov Institute of General and Inorganic Chemistry (Russian Federation); Zaporozhets, M. A. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)] [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)

2013-11-15T23:59:59.000Z

45

Subangstrom Crystallography Reveals that Short Ionic Hydrogen Bonds, and Not a His-Asp Low-Barrier Hydrogen  

E-Print Network [OSTI]

Subangstrom Crystallography Reveals that Short Ionic Hydrogen Bonds, and Not a His-Asp Low-Barrier Hydrogen Bond, Stabilize the Transition State in Serine Protease Catalysis Cynthia N. Fuhrmann, Matthew D that destabilizes the His57-Ser195 hydrogen bond, preventing the back-reaction. In both structures the His57-Asp102

Agard, David

46

X-Ray Crystallography What do you need? A crystal. But not just any crystal a well ordered crystal  

E-Print Network [OSTI]

X-Ray Crystallography What do you need? A crystal. But not just any crystal­ a well ordered crystal that will diffract x-rays strongly. A crystal handedness. This reduces number to 6- 12. #12;#12;Generally X-ray beam

Cavanagh, John

47

E-Print Network 3.0 - anti-hiv d-peptides derived Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Source: Wlodawer, Alexander - Macromolecular Crystallography Laboratory, National Cancer Institute Collection: Chemistry ; Biology and Medicine 31 Mining Safety Signals in...

48

E-Print Network 3.0 - activates non-cftr-dependent respiratory...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Source: Wlodawer, Alexander - Macromolecular Crystallography Laboratory, National Cancer Institute Collection: Chemistry ; Biology and Medicine 5 UCSD Respiratory Protection...

49

JBLULCE  

Energy Science and Technology Software Center (OSTI)

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

50

Matlab's Loss is Nobody's Gain Created Aug. 1998, revised July 31, 2004 http://www.cs.berkeley.edu/~wkahan/MxMulEps.pdf Page 1/36  

E-Print Network [OSTI]

Matlab's Loss is Nobody's Gain Created Aug. 1998, revised July 31, 2004 http://www.cs.berkeley.edu/~wkahan/MxMulEps.pdf Page 1/36 Matlab's Loss is Nobody's Gain Prof. W. Kahan Mathematics Dept. & Elect. Eng. & Computer Sci. Dept. University of California Berkeley CA 94720-1776 Abstract: Matlab has become the software package

California at Berkeley, University of

51

On a non approximated approach to Extended Thermodynamics for dense gases and macromolecular fluids  

E-Print Network [OSTI]

Recently the 14 moments model of Extended Thermodynamics for dense gases and macromolecular fluids has been considered and an exact solution, of the restrictions imposed by the entropy principle and that of Galilean relativity, has been obtained through a non relativistic limit. Here we prove uniqueness of the above solution and exploit other pertinent conditions such us the convexity of the function $h'$ related to the entropy density, the problem of subsystems and the fact that the flux in the conservation law of mass must be the moment of order 1 in the conservation law of momentum. Also the solution of this last condition is here obtained without using expansions around equilibrium. The results present interesting aspects which were not suspected when only approximated solutions of this problem were known.

M. C. Carrisi; M. A. Mele; S. Pennisi

2007-12-21T23:59:59.000Z

52

Theory and simulation of macromolecular crowding effects on protein folding stability and kinetics  

E-Print Network [OSTI]

We investigate the effect of macromolecular crowding on protein folding, using purely repulsive crowding particles and a self-organizing polymer model of protein folding. We find that the thermodynamics of folding for typical alpha-, beta- and alpha/beta-proteins are well described by an adaptation of the scaled particle theory (SPT). In this approach, the native state, transition state, and the unfolded protein are treated as effective hard spheres with radii approximately independent of the size and concentration of the crowders. The same model predicts the effect of crowding on the folding barrier and therefore refolding rates with no adjustable parameters. A simple extension of the SPT model, assuming additivity, can also describe the behavior of mixtures of crowding particles.

Jeetain Mittal; Robert B. Best

2009-02-26T23:59:59.000Z

53

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

SciTech Connect (OSTI)

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

Koestner, R.J.

1982-08-01T23:59:59.000Z

54

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

SciTech Connect (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

55

DOE F 740-MX  

Broader source: Energy.gov (indexed) [DOE]

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary) "ofEarly Career Scientists'Montana. DOCUMENTSof Energy DOE ChallengeThese are the DOE6 /40.4Form 740M (10-88)

56

Prospects for Simulating Macromolecular Surfactant Chemistry at the Ocean-Atmosphere Boundary  

SciTech Connect (OSTI)

Biogenic lipids and polymers are surveyed for their ability to adsorb at the water-air interfaces associated with bubbles, marine microlayers and particles in the overlying boundary layer. Representative ocean biogeochemical regimes are defined in order to estimate local concentrations for the major macromolecular classes. Surfactant equilibria and maximum excess are then derived based on a network of model compounds. Relative local coverage and upward mass transport follow directly, and specific chemical structures can be placed into regional rank order. Lipids and denatured protein-like polymers dominate at the selected locations. The assigned monolayer phase states are variable, whether assessed along bubbles or at the atmospheric spray droplet perimeter. Since oceanic film compositions prove to be irregular, effects on gas and organic transfer are expected to exhibit geographic dependence as well. Moreover, the core arguments extend across the sea-air interface into aerosol-cloud systems. Fundamental nascent chemical properties including mass to carbon ratio and density depend strongly on the geochemical state of source waters. High surface pressures may suppress the Kelvin effect, and marine organic hygroscopicities are almost entirely unconstrained. While bubble adsorption provides a well-known means for transporting lipidic or proteinaceous material into sea spray, the same cannot be said of polysaccharides. Carbohydrates tend to be strongly hydrophilic so that their excess carbon mass is low despite stacked polymeric geometries. Since sugars are abundant in the marine aerosol, gel-based mechanisms may be required to achieve uplift. Uncertainties in the surfactant logic distill to a global scale dearth of information regarding two dimensional kinetics and equilibria. Nonetheless simulations are recommended, to initiate the process of systems level quantification.

Elliott, S.; Burrows, Susannah M.; Deal, C.; Liu, Xiaohong; Long, M.; Ogunro, O.; Russell, Lynn M.; Wingenter, O.

2014-06-09T23:59:59.000Z

57

1,3-Alternate calix[4]arene nitronyl nitroxide tetraradical and diradical: synthesis, X-ray crystallography, paramagnetic NMR spectroscopy, EPR spectroscopy, and magnetic studies  

SciTech Connect (OSTI)

Calix[4]arenes constrained to 1,3-alternate conformation and functionalized at the upper rim with four and two nitronyl nitroxides have been synthesized, and characterized by X-ray crystallography, magnetic resonance (EPR and {sup 1}H NMR) spectroscopy, and magnetic studies. Such calix[4]arene tetraradicals and diradicals provide scaffolds for through-bond and through-space intramolecular exchange couplings.

Rajca, Andrzej; Pink, Maren; Mukherjee, Sumit; Rajca, Suchada; Das, Kausik (UNL); (Indiana)

2008-04-02T23:59:59.000Z

58

X-ray Crystallographic Center (XCC) User Registration Form Peter Y. Zavalij X-ray Crystallographi Center 091 Chemistry Bldg. / College Park, MD 20742  

E-Print Network [OSTI]

X-ray Crystallographic Center (XCC) User Registration Form Peter Y. Zavalij X-ray Crystallographi. or advisor confirmation e-mail X-ray Diffractometer that will be used: User Level and Status Smart Apex2X'Pert Pro MRD (Reflectivity & low angles) Xeuss (Small/Wide Angle X-ray Scattering) Submitting user ­ only

Thirumalai, Devarajan

59

(MIRU2004)!W2004 G/7 7n ;~6u4V5wN%2hA--$rMxMQ$7$?+8J0LCV?dDj$K$h$k  

E-Print Network [OSTI]

%-%c%s7k2L$N%^%C%A%s%0$r9T$C $F7WB,¡VN¿$N5sF0$r;;=P$9$kJK![8] $,$"$k!%Frueh $i$O$3$N ¡jK!$rMxMQ$7$F

Tokyo, University of

60

442 nature structural biology volume 8 number 5 may 2001 Carboxyl proteinase  

E-Print Network [OSTI]

Section, Macromolecular Crystallography Laboratory, National Cancer Institute at Frederick, Frederick, Maryland 21702, USA. 2Intramural Research Support Program, SAIC Frederick, National Cancer Institute Crystallography Laboratory, National Cancer Institute and NSLS, Brookhaven National Laboratory, Bldg. 725A-X9

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

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

SciTech Connect (OSTI)

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

62

Published: February 18, 2011 r 2011 American Chemical Society 2470 dx.doi.org/10.1021/jp1122294 |J. Phys. Chem. B 2011, 115, 24702476  

E-Print Network [OSTI]

States Protein Structure Section, Macromolecular Crystallography Laboratory, National Cancer Institute of a fatal neurodegenerative disease, classical late-infantile neuronal ceroid lipofuscinosis.3

63

Mechanical and thermal properties of h-MX{sub 2} (M?=?Cr, Mo, W; X?=?O, S, Se, Te) monolayers: A comparative study  

SciTech Connect (OSTI)

Using density functional theory, we obtain the mechanical and thermal properties of MX{sub 2} monolayers (where M?=?Cr, Mo, W and X?=?O, S, Se, Te). The ?-centered phonon frequencies (i.e., A{sub 1}, A{sub 2}{sup ?}, E?, and E?), relative frequency values of A{sub 1}, and E? modes, and mechanical properties (i.e., elastic constants, Young modulus, and Poisson's ratio) display a strong dependence on the type of metal and chalcogenide atoms. In each chalcogenide (metal) group, transition-metal dichalcogenides (TMDCs) with W (O) atom are found to be much stiffer. Consistent with their stability, the thermal expansion of lattice constants for TMDCs with O (Te) is much slower (faster). Furthermore, in a heterostructure of these materials, the difference of the thermal expansion of lattice constants between the individual components becomes quite tiny over the whole temperature range. The calculated mechanical and thermal properties show that TMDCs are promising materials for heterostructures.

Çak?r, Deniz, E-mail: deniz.cakir@uantwerpen.be; Peeters, François M., E-mail: francois.peeters@uantwerpen.be [Department of Physics, University of Antwerp, 2610 Antwerpen (Belgium); Sevik, Cem, E-mail: csevik@anadolu.edu.tr [Department of Mechanical Engineering, Faculty of Engineering, Anadolu University, Eskisehir TR 26555 (Turkey)

2014-05-19T23:59:59.000Z

64

Systematics of the temperature-dependent interplane resistivity in Ba(Fe1-xMx)?As? (M=Co, Rh, Ni, and Pd)  

DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

Temperature-dependent interplane resistivity ?c(T) was measured systematically as a function of transition-metal substitution in the iron-arsenide superconductors Ba(Fe1-xMx)?As?, M=Ni, Pd, Rh. The data are compared with the behavior found in Ba(Fe1-xCox)?As?, revealing resistive signatures of pseudogap. In all compounds we find resistivity crossover at a characteristic pseudogap temperature T* from nonmetallic to metallic temperature dependence on cooling. Suppression of T* proceeds very similarly in cases of Ni and Pd doping and much faster than in similar cases of Co and Rh doping. In cases of Co and Rh doping an additional minimum in the temperature-dependent ?c emerges for high dopings, when superconductivity is completely suppressed. These features are consistent with the existence of a charge gap covering part of the Fermi surface. The part of the Fermi surface affected by this gap is notably larger for Ni- and Pd-doped compositions than in Co- and Rh-doped compounds.

Tanatar, M. A.; Ni, N.; Thaler, A.; Bud’ko, S. L.; Canfield, P. C.; Prozorov, R.

2011-07-01T23:59:59.000Z

65

electronic reprint Crystallography  

E-Print Network [OSTI]

of commonly used pressure media, including nitrogen, argon, 2-propanol, a 4:1 methanol­ethanol mixture curves of quartz is detected at $9.8 GPa in a 4:1 mixture of methanol and ethanol and at $4.2 GPa in 2 transition in 4:1 methanol­ethanol and 16:3:1 methanol­ ethanol­water, which were observed to support shear

Jacobsen, Steven D.

66

electronic reprint Crystallography  

E-Print Network [OSTI]

distributions from 1 to 100 nm, and shape and orientation distributions, in liquids, powders and bulk samples, aluminas, microemulsions, nucleic acids, proteins, mesoporous materials, inorganic polymers, coal samples

Gruner, Sol M.

67

electronic reprint Crystallography  

E-Print Network [OSTI]

, Cory J. Gerdts, Ruslan Sanishvili, Ward W. Smith, L. Spencer Roach, Rustem F. Ismagilov, Peter Kuhn Sanishvili,c Ward W. Smith,c L. Spencer Roach,b Rustem F. Ismagilov,b Peter Kuhna and Raymond C. Stevensd

Ismagilov, Rustem F.

68

Macromolecular Chemistry and Physics  

E-Print Network [OSTI]

Composites Laboratory (ICL), Dan F. Smith Department of Chemical Engineering, Lamar University, Beaumont, TX 77710, USA E-mail: zhanhu.guo@lamar.edu Y. Li, S. Wei Department of Chemistry and Biochemistry, Lamar

Guo, John Zhanhu

69

Macromolecular Chemistry and Physics  

E-Print Network [OSTI]

Engineering, Lamar University, Beaumont, TX 77710, USA E-mail: suying.wei@lamar.edu; zhanhu.guo@lamar.edu Q. He, Prof. S. Wei Department of Chemistry and Biochemistry, Lamar University, Beaumont, TX 77710, USA

Guo, John Zhanhu

70

Pressure-tuning spectroscopy of charge-transfer salts. X-ray crystallography and comparative studies in solution and in the solid state  

SciTech Connect (OSTI)

The highly colored pyridinium (P{sup +}) and cobaltocenium (C{sup +}) iodides are charge-transfer salts by virtue of the new electronic absorption bands that follow Mulliken theory. X-ray crystallography establishes the relevant interionic separation and steric orientation of the cation/anion pairs P{sup +}I{sup {minus}} and C{sup +}I{sup {minus}} constrained for optimum charge-transfer interaction in the crystal lattice. Spectral comparisons of the charge-transfer (CT) transitions by absorption (solution) and by diffuse reflectance (solid-state) measurements reveals the commonality of contact ion pairs (CIP) in aprotic nonpolar solvents (dichloromethane) with those extant in crystalline charge-transfer salts. As such, the compression of the charge-transfer salts P{sup +}I{sup {minus}} in the solid state by the application of pressures up to 140 kbar leads to unusual red shifts of the CT bands indicative of the dominance of destabilizing charge-transfer interactions.

Bockman, T.M.; Kochi, J.K. (Univ. of Houston, TX (USA)); Chang, H.R.; Drickamer, H.G. (Univ. of Illinois, Urbana (USA))

1990-11-01T23:59:59.000Z

71

Neutron crystallography aids drug design  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsrucLas Conchas recoveryLaboratory | NationalJohn Cyber SecurityAlamosExtending ourNewsNeutron

72

Powder Diffraction Crystallography Instructional Materials  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear Security Administration the1 - September 2006PhotovoltaicSeptember 22, 2014SocietyJ.Potential(GFA)

73

Johann Deisenhofer, Crystallography, and Proteins  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-SeriesFlickrinformation forTechnologies |Jennifer DunnEnergyGarciaJobs

74

Inhibitor Complexes of the Pseudomonas Serine-Carboxyl Proteinase Alexander Wlodawer,*, Mi Li,, Alla Gustchina, Zbigniew Dauter,| Kenichi Uchida, Hiroshi Oyama,#  

E-Print Network [OSTI]

Support Program, SAIC Frederick, National Cancer Institute at Frederick, Frederick, Maryland 21702, Synchrotron Radiation Research Section, Macromolecular Crystallography Laboratory, National Cancer Institute, when mutated, leads to a fatal human neurodegenerative disease, classical late-infantile neuronal

75

Be?tE*?t$,4X78$9$k8zN(E*7W;;$N$?$a$KBe?tE*?t$N6a;w$rMxMQ$9$k Be?t9=B$$NJ,2r!'B?9`0$N0x?tJ,2r!"Be?t3HBgBN$N7W;;!"  

E-Print Network [OSTI]

#?t$N6a;w!W$rMxMQ$7$?@5Ev@-$N8!¿Z 3FBe?tE*?t$KBP$9$kJ#?t$N6a;w$N!VBP1~!W$r$I$&=hM$9$k$+? 6 #12;Descending

Nakamura, Hiroaki

76

Molecular Control of Macromolecular Properties  

E-Print Network [OSTI]

V] J SC [mA cm -2 ] FF[%] PCE [%] P1:PC 61 BM P1:PC 61 BM +power conversion efficiency (PCE) in bulk heterojunction (= 4.0 mA cm - , FF = 0.38, PCE = 0.97% for POPT/EV-BT; V oc

Holcombe, Thomas

2011-01-01T23:59:59.000Z

77

PHASE DIAGRAMS and MACROMOLECULAR STABILITY  

E-Print Network [OSTI]

), 284 nm (E), and 292 nm (F) are attributed to the absorbance of Tyr, a combination of Tyr/Trp and Trp, respectively. Ausar, et al, Mol. Pharm., 2 (6), 491 -499, 2005. Optical density at 350 nm of RSV at 10 ?C as a function of pH Viral protein...;? A. Lysozyme #0;? 0.41mg/ml #0;{ 350mg/ml #0;? B. Hemoglobin #0;? 0.3mg/ml #0;{ 245mg/ml #0;? C. Fibrinogen #0;? 0.17mg/ml #0;{ 59mg/ml #0;? D. BSA #0;? 0.55mg/ml #0;{ 399mg/ml 0 20406080 0.0 0.2 0.4 0 20406080 0.0 0.8 1.6 2.4 0 20406080...

Middaugh, C. Russell

2006-10-26T23:59:59.000Z

78

COMPUTATIONAL METHODOLOGY IN CRYSTALLOGRAPHY: EVALUATION AND EXTENSION  

E-Print Network [OSTI]

Chandra, R. (1978). "Conjugate Gradient Methods for Partial1918). "On the Conjugate Gradient Method for Solving Linearto the constraints) then a conjugate gradient method is not

Templeton Ed, D.

2011-01-01T23:59:59.000Z

79

COMPUTATIONAL METHODOLOGY IN CRYSTALLOGRAPHY: EVALUATION AND EXTENSION  

E-Print Network [OSTI]

provide line drawing graphics. The control circuitry for thegraphics, voice input, voice output, the ability to controlcontrol, data reduction), Fourier and in-/erse Fourier transforma.tion, direct methods, phase extension and refinement, model ~Jilding (computer graphics,

Templeton Ed, D.

2011-01-01T23:59:59.000Z

80

Nanostructure, Chemistry and Crystallography of Iron Nitride...  

Broader source: Energy.gov (indexed) [DOE]

of hybrid-electric and battery electric vehicles may increase worldwide demand for rare earth elements and certain other materials. It is likely that future supply of these...

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

Microcrystallization techniques for serial femtosecond crystallography  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May Jun Jul(Summary)morphinanInformation Desert Southwest Regionat Cornell Batteries & Fuel Cells InDioxideusing Photosystem II

82

Lipidic phase membrane protein serial femtosecond crystallography  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-SeriesFlickrinformationPostdocsCenterCentera A B C D E F G H I J K L M N

83

Center for Nanophase Materials Sciences (CNMS) - Macromolecular  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-Series to User Group and User Executive Committee

84

Proposal Submittal and Scheduling Procedures for Macromolecular  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsrucLas ConchasPassive Solar HomePromising Science for Plutonium CleanupProposal Study

85

Improving the accuracy of macromolecular structure refinement  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

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86

Chapter 7.32 Centura-MxP+ Chamber  

E-Print Network [OSTI]

set of remote support equipment (RF power supplies, vacuum pumps, heat exchangers, computers). All on the process) of 13.56 MHz RF power from the RF generator in the remote frame. A high voltage polyimide. This helium flow increases the heat transfer from the wafer to the pedestal to prevent photoresist

Healy, Kevin Edward

87

atlantic salmon mx1: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

species in the Bering Sea. We provide information on the size, age, and feeding of this fish and discuss the ecological implications of this occurrence. Salmo Salar In; Vol No;...

88

EA-279_UNS__MX.pdf | Department of Energy  

Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious Rank EERE:Year in Review: TopEnergy DOEDealingVehicle1 Closing American Electric Power80A Rainy

89

Microbial Electrochemical Technology (MxCs): Challenges and Opportunities |  

Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious RankCombustion | Department of EnergyDevelopmentTechnologies

90

MxEnergy Electric, Inc. (Connecticut) | Open Energy Information  

Open Energy Info (EERE)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Office of InspectorConcentrating Solar Powerstories onFocus Area EnergyMohawkaccrediation of NIE)341813°,Connecticut

91

MxEnergy Electric, Inc. (Massachusetts) | Open Energy Information  

Open Energy Info (EERE)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Office of InspectorConcentrating Solar Powerstories onFocus Area EnergyMohawkaccrediation of NIE)341813°,Connecticut

92

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

Open Energy Info (EERE)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Office of InspectorConcentrating Solar Powerstories onFocus Area EnergyMohawkaccrediation of

93

Crystallographic study of red fluorescent protein eqFP578 and its far-red variant  

E-Print Network [OSTI]

cause lesser damage to cells. The most favorable ``optical window'' for the visualization in living, Frederick, Maryland 21702 4 Synchrotron Radiation Research Section, Macromolecular Crystallography of FPs in cell biology, biotech- nology, and biomedical studies enabled optical imag- ing of gene

94

ISSN 1068-1620, Russian Journal of Bioorganic Chemistry, 2007, Vol. 33, No. 4, pp. 390398. Pleiades Publishing, Inc., 2007. Original Russian Text N.V. Pletneva, S.V. Pletnev, D.M. Chudakov, T.V. Tikhonova, V.O. Popov, V.I. Martynov, A. Wlodawer, Z. Daut  

E-Print Network [OSTI]

­398. © Pleiades Publishing, Inc., 2007. Original Russian Text © N.V. Pletneva, S.V. Pletnev, D.M. Chudakov, T organisms. They cover a wide range of colors in their emission spectra, from cyan to red (em = 442 60439, USA d Protein Structure Section, Laboratory of Macromolecular Crystallography, National Cancer

95

CrystalPlan: an Experiment Planning Tool for Crystallography  

SciTech Connect (OSTI)

Beam time at large user program based x-ray and neutron scattering facilities is in high demand and always at a premium. CrystalPlan, a highly efficient experiment planning software has been developed to maximize the use of available beamtime per sample per experiment. This program can calculate and optimize the data coverage of a crystal in reciprocal space in a single-crystal diffraction time-of- flight experiment. CrystalPlan can help a user build an experiment plan that will acquire the most data possible, with sufficient coverage but limited redundancy, therefore increasing scientific productivity. A user friendly GUI including a 3D viewer, an automated coverage optimizer, and an option to reorient the crystal for the measurement of selected hkls on specific detector positions are among its useful features. A sample use case of the program with the TOPAZ beamline at SNS will be presented.

Zikovsky, Janik L [ORNL; Peterson, Peter F [ORNL; Wang, Xiaoping [ORNL; Frost, Matthew J [ORNL; Hoffmann, Christina [ORNL

2011-01-01T23:59:59.000Z

96

Notes X-ray Crystallography Joseph H. Reibenspies  

E-Print Network [OSTI]

Solid, Liquid, Gas : Must contain a heavy atom (at least S). The more Heavy atoms the more complicated, What and how Many atoms are coordinated to Heavy atom. Range from heavy atom ~ 6·. #12;5 Crystals Key solute slowly Solvents: water/ acetone MeOH/ water CH2Cl2/ hydrocarbon MeOH/ benzene THF/ MeOH #12;7 4

Meagher, Mary

97

Crystallography of TWIP Steel Graduate Institute of Ferrous Technology  

E-Print Network [OSTI]

Metallurgy at Pohang University of Science and Technology. The research described herein was conducted under the supervision of Professor H. K. D. H. Bhadeshia, Adjunct Professor of Computational Metallurgy in the Graduate Metallurgy, University of Cambridge, between May 2006 and June 2007. This work is to the best of my knowledge

Cambridge, University of

98

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

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

It is also a great time to interact with other scientists, potential colleagues, and vendors of light source related products and services. For more information, please visit...

99

The role of crystallography and nanostructures on metallic friction.  

SciTech Connect (OSTI)

In ductile metals, sliding contact is often accompanied by severe plastic deformation localized to a small volume of material adjacent to the wear surface. During the initial run-in period, hardness, grain structure and crystallographic texture of the surfaces that come into sliding contact undergo significant changes, culminating in the evolution of subsurface layers with their own characteristic features. Here, a brief overview of our ongoing research on the fundamental phenomena governing the friction-induced recrystallization in single crystal metals, and how these recrystallized structures with nanometer-size grains would in turn influence metallic friction will be presented. We have employed a novel combination of experimental tools (FIB, EBSD and TEM) and an analysis of the critical resolved shear stress (RSS) on the twelve slip systems of the FCC lattice to understand the evolution of these friction-induced structures in single crystal nickel. The later part of the talk deals with the mechanisms of friction in nanocrystalline Ni films. Analyses of friction-induced subsurfaces seem to confirm that the formation of stable ultrafine nanocrystalline layers with 2-10 nm grains changes the deformation mechanism from the traditional dislocation mediated one to that is predominantly controlled by grain boundaries, resulting in significant reductions in the coefficient friction.

Michael, Joseph Richard; Prasad, Somuri V.; Battaile, Corbett Chandler; Majumdar, Bhaskar Sinha (New Mexico Institute of Mining & Technology, Socorro, NM); Kotula, Paul Gabriel

2010-06-01T23:59:59.000Z

100

The Development of the GCPCC Protein Crystallography Beamline at CAMD  

E-Print Network [OSTI]

as a simple synchrotron with a bending radius of 0.71 meters. For heat-load calculations, all five wiggler heat load on the first monochromator crystal by acting as a low pass filter. The wavelength is selected. The beamline design, with supporting calculations and ray tracing, is presented to substantiate the expected

Phillips, George N. Jr.

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

SciTech Connect: Goniometer-based femtosecond crystallography...  

Office of Scientific and Technical Information (OSTI)

Irimpan I.; McPhillips, Scott E.; Nelson, Silke; Peters, John W.; Sauter, Nicholas K.; Smith, Clyde A.; Song, Jinhu; Stevenson, Hilary P.; Tsai, Yingssu; Uervirojnangkoorn,...

102

Chemistry 6181 MWF 11:05 Course title: "Chemical Crystallography"  

E-Print Network [OSTI]

: Classroom: MoSE G021 Texts: Course not based on a single text. The following books will be useful resources. Neutrons: Radioactive sources, reactors, spallation, moderation c. Polarization 3) Introduction to waves, charge generation in semiconductors, and nuclear reactions. 5) Scattering from clusters and particles ­ a

Sherrill, David

103

Genentech Uses ALS Crystallography for Therapeutic Antibody Research  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-SeriesFlickr Flickr Editor'sshort version) Thelong

104

Media invited to join students in crystallography experiment  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

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105

Nanostructure, Chemistry and Crystallography of Iron Nitride Magnetic  

Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Delicious RankCombustion | Department ofT ib l L d F S i DOEToward aInnovationHydrogenNRGA C U.S. DepartmentMaterials

106

Crystallography -Teacher's Notes Crystallography is a technique employed in all of the major scientific disciplines, so there are examples of  

E-Print Network [OSTI]

and green technology for a clean environment. Examples include studies of: · hydrogen absorption in new. It is owned and operated by the Science and Technology Facilities Council. ISIS produces beams of neutrons for areas as varied as energy, nanotechnology, materials processing, drug design and pharmaceuticals, bio-technology

Zharkova, Valentina V.

107

Multiscale mechanics of macromolecular materials with unfolding domains  

E-Print Network [OSTI]

We propose a general multiscale approach for the mechanical behavior of three-dimensional networks of macromolecules undergoing strain-induced unfolding. Starting from a (statistically based) energetic analysis of the macromolecule unfolding strategy, we obtain a three-dimensional continuum model with variable natural configuration and an energy function analytically deduced from the microscale material parameters. The comparison with the experiments shows the ability of the model to describe the complex behavior, with residual stretches and unfolding effects, observed in different biological materials.

Domenico De Tommasi; Giuseppe Puglisi; Giuseppe Saccomandi

2014-07-14T23:59:59.000Z

108

SciTech Connect: Introduction to Bayesian methods in macromolecular  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear Security Administrationcontroller systemsBi (2) Sr (2) Ca (2) Cu (3)GettingGeochemical

109

Directed Organization of Functional Materials at Inorganic-Macromolecular  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsruc DocumentationP-Series to UserProduct: CrudeOfficeNERSCDiesel prices topDirectCollapse

110

Insights into assembly of the macromolecular inflammasome complex  

E-Print Network [OSTI]

., Leaf IA., Treuting PM., Mao DP., Dors M., Sarkar A., et al.,  Caspase-1-induced pyroptosis is an innate immune effector mechanism against intracellular bacteria., Nat. Immunol., Nature Publishing Group;, 2010, 11, 1136–42 [47] Wu H.,  Higher...

Monie, Tom P.; Boyle, Joseph P.

2014-12-23T23:59:59.000Z

111

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

E-Print Network [OSTI]

the highest number of professionals, in a wide variety of fields of study. The study programs are evaluated and Electrical · Mining and Metallurgy · Petroleum · Renewable Energy · Telecommunications Systems Engineering · Communication Sciences · Communication Sciences (Journalism) · Economics · Geography · Geohistory · Industrial

Petriu, Emil M.

112

www.global.unam.mx www.unam.mx UNAM is home to more than 45 research institutes, centers and university programs; 50 percent of the  

E-Print Network [OSTI]

and university programs; 50 percent of the research carried out in Mexico is generated by our institution. Our researchers cover the spectrum of disciplines, including energy, engineering, environmental sciences, genomic sciences, medicine, nanotechnologies, sustainable development, and water. Nationwide, one out of every 3

Petriu, Emil M.

113

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

E-Print Network [OSTI]

. Wind-BEVs ranked first in seven out of 1 I categories, including the two most important, mortality and ranked major proposed energy-related solutions to global warming, air pollution mortality, and energy solar power (CSP), wind, geothetmal, hydroelectric, wave, tidal, nuclear, and coal with carbon capture

114

12 www.publimetro.com.mx VIERNES 04 DE NOVIEMBRE DE 2011ciencia desde la unam  

E-Print Network [OSTI]

propiedades químicas de las partículas con analizadores de car- bono y cromatógrafos, así como sus propieda origen: natural, industrial o motriz.41% MON�XIDO DE CARBONO 72% DI�XIDO DE AZUFRE 36% PARTÍCULAS PM 2 obstruyen la luz. Partículas de hollín Son pequeñas partículas sólidas que se componen de carbono impuro y

Grutter, Michel

115

Microbial Fuel Cell Technologies-MxCs: Can They Scale? | Department of  

Energy Savers [EERE]

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE: Alternative Fuels Data Center Home Page on Google Bookmark EERE: Alternative Fuels Data Center Home Page on Office of Inspector General Office0-72.pdfGeorgeDoesn't32 Master EM ProjectMemoDepartmentFY 2010Students and Public

116

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.; Snell, Gyorgy P.; Cornell, Earl W.; Kolbe, William; Yegian, Derek; Earnest, Thomas N.; Jaklevic, Joseph M.; Cork, Carl W.; Santarsiero, Bernard D.; Stevens, Raymond C.

2005-07-19T23:59:59.000Z

117

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

118

Research Profile The research focus at the Laboratory of Crystallography is  

E-Print Network [OSTI]

properties, in particular coatings with low thermal conductivity. Competences / Infrastructure Solution diffraction diagram and structure of the zeolite analcime. The structure envelope separates regions of high thermal conductivity, toughness, thermal expansion compat- ibility with underlaying material (bond coat

Sandoghdar, Vahid

119

Introduction to X-ray Crystallography Jesse Rinehart, PhD  

E-Print Network [OSTI]

Elsevier/Academic Press) CMCC Home Page: http://spdbv · Academic Press Electron density map Building a structure model #12;The importance of resolution been applied to fit a tyrosine into the density map. http://www.ruppweb.org/Xray/101index.html #12

Gerstein, Mark

120

Three phase crystallography and solute distribution analysis during residual austenite decomposition in tempered nanocrystalline bainitic steels  

SciTech Connect (OSTI)

Interphase carbide precipitation due to austenite decomposition was investigated by high resolution transmission electron microscopy and atom probe tomography in tempered nanostructured bainitic steels. Results showed that cementite (?) forms by a paraequilibrium transformation mechanism at the bainitic ferrite–austenite interface with a simultaneous three phase crystallographic orientation relationship. - Highlights: • Interphase carbide precipitation due to austenite decomposition • Tempered nanostructured bainitic steels • High resolution transmission electron microscopy and atom probe tomography • Paraequilibrium ? with three phase crystallographic orientation relationship.

Caballero, F.G. [Centro Nacional de Investigaciones Metalúrgicas (CENIM-CSIC), Avda Gregorio del Amo, 8, Madrid E-28040 (Spain); Yen, Hung-Wei [Department of Materials Science and Engineering, National Taiwan University, 1, Roosevelt Rd. Sec. 4, Taipei 10617, Taiwan (China); Australian Centre for Microscopy and Microanalysis, The University of Sydney, NSW 2006 (Australia); Miller, M.K. [Oak Ridge National Laboratory (ORNL), Materials Science and Technology Division, Oak Ridge, TN 37831-6139 (United States); Cornide, J. [Centro Nacional de Investigaciones Metalúrgicas (CENIM-CSIC), Avda Gregorio del Amo, 8, Madrid E-28040 (Spain); Chang, Hsiao-Tzu [Department of Materials Science and Engineering, National Taiwan University, 1, Roosevelt Rd. Sec. 4, Taipei 10617, Taiwan (China); Garcia-Mateo, C. [Centro Nacional de Investigaciones Metalúrgicas (CENIM-CSIC), Avda Gregorio del Amo, 8, Madrid E-28040 (Spain); Yang, Jer-Ren [Department of Materials Science and Engineering, National Taiwan University, 1, Roosevelt Rd. Sec. 4, Taipei 10617, Taiwan (China)

2014-02-15T23:59:59.000Z

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.


121

The crystallography of fatigue crack initiation in Incoloy-908 and A-286 steel  

SciTech Connect (OSTI)

Fatigue crack initiation in the austenitic Fe-Ni superalloys Incoloy-908 and A-286 is examined using local crystallographic orientation measurements. Results are consistent with sharp transgranular initiation and propagation occurring almost exclusively on {l_brace}111{r_brace} planes in Incoloy-908 but on a variety of low index planes in A-286. This difference is attributed to the influence of the semicoherent grain boundary {eta} phase in A-286. Initiation in each alloy occurred both intergranularly and transgranularly and was often associated with blocky surface oxide and carbide inclusions. Taylor factor and resolved shear stress and strain crack initiation hypotheses were tested, but despite an inconclusive suggestion of a minimum required {l_brace}111{r_brace} shear stress, none of the hypotheses were found to convincingly describe preferred initiation sites, even within the subsets of transgranular cracks apparently free from the influence of surface inclusions. Subsurface inclusions are thought to play a significant role in crack initiation. These materials have applications for use in structural conduit for high field superconducting magnets designed for fusion energy use.

Krenn, C.R. [Univ. of California, Berkeley, CA (United States). Dept. of Materials Science and Mineral Engineering]|[Lawrence Berkeley National Lab., CA (United States)

1996-12-01T23:59:59.000Z

122

Preparation, crystallography, magnetic and magnetothermal properties of Ce5SiGe4-x alloys  

SciTech Connect (OSTI)

An investigation of the crystal structure and the phase relationships in the Ce{sub 5}Si{sub 4-x}Ge{sub x} system has been carried out. The crystal structures of the single phase intermetallics were characterized using X-ray powder diffraction and subsequent refinement employing the Rietveld analysis technique was performed. The intermetallic system was found to crystallize in three distinct crystal structures. The Ce{sub 5}Si{sub 4}-based solid solution extends from x = 0 to x = 2.15 and it was found to crystallize in the well-known Zr{sub 5}Si{sub 4}-type tetragonal structure. The germanium rich alloys, where 3.1 {le} x {le} 4, crystallized in the Sm{sub 5}Ge{sub 4}-type orthorhombic structure. The crystal structure of the intermediate phase, when 2.35 {le} x {le} 2.8, was found out to be of the Gd{sub 5}Si{sub 2}Ge{sub 2}-type monoclinic structure. Microhardness tests were conducted on the samples in order to probe the trend in mechanical properties in this alloy system as a function of Ge concentration. The magnetic, thermal and magnetocaloric properties of the Ce{sub 5}Si{sub 4-x}Ge{sub x} alloy system have been investigated for x = 0, 1.0, 1.8, 2.5, 2.8, 3.5, 3.8 and 4.0. The phases with x = 0, 1.0 and 1.8 crystallize in the tetragonal Zr{sub 5}Si{sub 4} structure and those with x = 2.5, 2.8 form in the Gd{sub 5}Si{sub 2}Ge{sub 2}-type monoclinic structure. The alloys with x = 3.5, 3.8 and 4.0 crystallize in the Sm{sub 5}Ge{sub 4}-type orthorhombic structure. The Curie temperature of the tetragonal phases increases with increasing Ge content. The ordering temperatures of the monoclinic and orthorhombic phases remain nearly unaffected by the composition, with the Curie temperatures of the latter slightly higher than those of the former. All the alloys display evidence of antiferromagnetic interactions in the ground state. The orthorhombic and the monoclinic alloys behave as ferromagnets whereas the Si-rich tetragonal phase acts more like an antiferromagnet at high fields (1 T and higher). The maximum isothermal magnetic entropy change occurs at {approx}11 K in the monoclinic and orthorhombic phases with the highest value being 14.7 J/kg.K for Ce{sub 5}Ge{sub 4} for a field change of 10 T which is considered moderate.

Vijayaraghavan, Rangarajan

2005-05-01T23:59:59.000Z

123

Serial time-resolved crystallography of photosystem II using a femtosecond  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

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124

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

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation Proposed Newcatalyst phases onOrganizationElectronic2005-2007 BudgetFlightEvolutionDamage by

125

Workshop: New Advances in Crystallography with Synchrotrons and X-FELs |  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr May JunDatastreamsmmcrcalgovInstrumentsrucLasDelivered energy consumption byAbout SRNL Home SRNL main campus Working withWorkshopStanford

126

Eighth Shull Fellow to Focus on Biochemistry and Crystallography | ornl.gov  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmospheric Optical Depth7-1D: Vegetation Proposed NewcatalystNeutronEnvironmentZIRKLEEFFECTS OF CHRONICSession 9StartupEightEighth

127

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

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

AFDC Printable Version Share this resource Send a link to EERE: Alternative Fuels Data Center Home Page to someone by E-mail Share EERE: Alternative Fuels Data Center Home Page on Facebook Tweet about EERE: Alternative Fuels Data Center Home Page on Twitter Bookmark EERE:1 First Use of Energy for All Purposes (Fuel and Nonfuel),Feet) Year Jan Feb Mar Apr MayAtmosphericNuclear SecurityTensile Strain Switched Ferromagnetism in Layered NbS2 andThe1A:decisional. 1 B O NAmesControlling the Inner

128

Direct detection of x-rays for protein crystallography employing a thick, large area CCD  

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 of 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 a 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 (Wheaton, IL); McKay, Timothy (Ann Arbor, MI)

1999-01-01T23:59:59.000Z

129

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

130

automated error-tolerant macromolecular: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Affiliations: 1Brookhaven National Laboratory, 2Case spot size High degree of automation High throughput Remote access An ABBIX project beamline Ohta, Shigemi...

131

Macromolecular coatings on porous silicon : applications in drug delivery, biosensing, and composites  

E-Print Network [OSTI]

Staphylococcus aureus (MRSA) growth in chronic otitis mediaco-glycolide) disc: Inhibition of MRSA(methicillin resistantco-glycolide) disc: Inhibition of MRSA(methicillin resistant

Perelman, Loren Avery

2008-01-01T23:59:59.000Z

132

Macromolecular coatings on porous silicon : applications in drug delivery, biosensing, and composites  

E-Print Network [OSTI]

Sailor, M. J. , Engineering the chemistry and nanostructureSailor, M. J. , Engineering the chemistry and nanostructureMichael J. Engineering the chemistry and nanostructure of

Perelman, Loren Avery

2008-01-01T23:59:59.000Z

133

Macromolecular hydration compared with preferential hydration and their role on macromolecule-osmolyte coupled diffusionwz  

E-Print Network [OSTI]

to solute hydration and size ratio and is not complicated by other factors such as ionic interactions should not be neglected in multicomponent-diffusion theoretical models even when ionic interactions quantities that shape the thermodynamic and diffusion behavior of macromolecule­additive­water solutions.1

Annunziata, Onofrio

134

Role of fluctuations on the stability of macromolecular clusters in adherent membranes  

E-Print Network [OSTI]

-Suncana Smith PULS Group, Institute for Theoretical Physics, University of Erlangen-Nürnberg, Germany Institute or scaffold. The most obvious fundamental question to ask is then as follows: What factors control or govern fluctuations and ability to change shape, do not at all depend on any specific proteins, they can have a major

Potsdam, Universität

135

Photon-counting single-molecule spectroscopy for studying conformational dynamics and macromolecular interactions  

E-Print Network [OSTI]

Leeson, D.T. , et al. , Protein folding and unfolding on aMultiple pathways on a protein-folding energy landscape:Karplus, "New view" of protein folding reconciled with the

Laurence, Ted Alfred

2002-01-01T23:59:59.000Z

136

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

E-Print Network [OSTI]

Protein Folding. . . . . . . . . . . . . . . . . . . . . . . . . . .of chaperonin-dependent protein folding in Escherichia coli.Chaperonin-mediated protein folding at the surface of groEL

Thiele, Ines

2009-01-01T23:59:59.000Z

137

Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers  

SciTech Connect (OSTI)

Diffraction patterns from thermolysin microcrystals and one dark run, collected in December 2011. This data was used for metrology calibration and general cctbx.xfel development.

Hattne, Hattne

2014-03-04T23:59:59.000Z

138

Inflammasome activation causes dual recruitment of NLRC4 and NLRP3 to the same macromolecular complex  

E-Print Network [OSTI]

to thank K.A. Fitzgerald (University of Massachusetts Medical School, USA) for critical review of our manuscript and for supplying the knockout mouse strains, G. Núñez (Uni- versity of Michigan Medical School, USA) for the anti-NLRC4 antibody, and E... P. Monie,4 Clare E. Bryant1* 1 Department of Veterinary Medicine, University of Cambridge, Madingley Road, CB3 0ES, United Kingdom. 2 Sector of Biological and Soft Systems, The Cavendish Laboratory, University of Cambridge, Madingley Road...

Ming Man, Si; Hopkins, Lee J; Nugent, Eileen; Cox, Susan; Glück, Ivo M; Tourlomousis, Panagiotis; Wright, John A; Cicuta, Pietro; Monie, Tom P.; Bryant, Clare E.

2014-05-06T23:59:59.000Z

139

Accurate macromolecular structures using minimal measurements from X-ray free-electron lasers  

DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

Diffraction patterns from thermolysin microcrystals and one dark run, collected in December 2011. This data was used for metrology calibration and general cctbx.xfel development.

Hattne, Hattne

140

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

2006-12-04T23:59:59.000Z

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.


141

On the similarity of macromolecular responses to high-energy processes: mechanical milling vs. irradiation  

E-Print Network [OSTI]

-6-oxynaphthoate) (Vec- tra1 ) [18], and PET with recycled tire [19]. An unexpected implication of our findings to blend PMMA with either PEP or PI [15­17], poly(ethylene terephthalate) (PET) with poly(oxybenzoate-r-2

142

Protein folding and macromolecular dynamics : fundamental limits of length and time scales.  

E-Print Network [OSTI]

??In this thesis, physics-based models of protein folding at the secondary and tertiary level are developed to resolve long-standing issues of protein folding kinetics. As… (more)

Lin, Milo M.

2012-01-01T23:59:59.000Z

143

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

E-Print Network [OSTI]

comparative analysis of Helicobacter pylori genomes. NucleicCandidate states of Helicobacter pylori ’s genome-scaleCandidate states of Helicobacter pylori ’s genome- scale

Thiele, Ines

2009-01-01T23:59:59.000Z

144

Release of Brain Mitochondrial Hexokinase by Acidic Proteins and Macromolecular Polyanions  

E-Print Network [OSTI]

Preparations of arachidonic acid binding and non-binding proteins from bovine brain, four acidic proteins (alpha-casein, phosvitin, beta-lactoglobulin A and B), the peptide polyglutamate, and two polyanions (heparin, dextran sulfate) enhanced both basal and glucose 6-phosphate induced solubilization of rat brain mitochondrial hexokinase (ATP:D-hexose 6-phosphotransferase, EC 2.7.1.1). In contrast, three other acidic proteins, had little (alpha-lactalbumin) or no effect (bovine serum albumin, ovalbumin) and five basic proteins inhibited release of the enzyme. Solubilizing activity therefore appears to require a net negative charge and one or more of the following structural features: extended conformation, random coil, and unordered or beta-structure, in the latter case, as the beta-barrel in the fatty acid binding proteins and beta-lactoglobulins. It is of interest that a difference of a single negative charge between beta-lactoglobulin A and B, resulted in a statistically significant difference in the stimulation of hexokinase release. Possible physiological and pathological roles of this hexokinase solubilizing effect are discussed briefly.

F. Moller

2005-03-22T23:59:59.000Z

145

WebFEATURE: An interactive web tool for identifying and visualizing functional sites on macromolecular structures  

E-Print Network [OSTI]

1 WebFEATURE: An interactive web tool for identifying and visualizing functional sites University, Stanford CA 94305 USA Abstract WebFEATURE (http://feature.stanford.edu/webfeature/) is a web and nucleic acids. WebFEATURE is the public interface to the scanning algorithm of the FEATURE package

Brutlag, Doug

146

Effect of Macromolecular Architecture on the Morphology of Polystyrene Polyisoprene Block Copolymers  

SciTech Connect (OSTI)

The impact of block connectivity on the morphologies of four block copolymers of varying architecture containing polystyrene (PS) and polyisoprene (PI) has been studied. The volume fraction of PS and molecular weight are held constant while varying the architecture from a linear PS-PI diblock copolymer to three different miktoarm star architectures: PS2PI, PSPI2, and PS2PI2. Morphologies of the PS2PI and PSPI2 miktoarm stars are different from those observed for the linear copolymer and dependent on the connectivity of the copolymer blocks. The change in morphology with connectivity indicates that combining two chains at a junction point leads to chain crowding, where subsequent excluded volume effects drive the change in morphology for each sample. The PS2PI2 miktoarm star exhibits the same morphology as the linear diblock but with a reduction in the size of the domains. The extent of the decrease in domain size indicates that chain stretching impacts the formation of this morphology. Experimentally observed morphologies for different chain architectures are generally consistent with three-dimensional self-consistent field theory simulations, taking into account conformational asymmetry and experimental uncertainty in the copolymer composition. Furthermore, these results generally agree with analytical theory predictions that account for architectural and conformational asymmetry.

Kumar, Rajeev [ORNL; Goswami, Monojoy [ORNL; Mays, Jimmy [ORNL; Sides, Scott [ORNL; Sumpter, Bobby G [ORNL; Dadmun, Mark D [ORNL; Dyer, Caleb W [ORNL; Driva, Paraskevi [ORNL; Chen, Jihua [ORNL

2013-01-01T23:59:59.000Z

147

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

148

In vitro macromolecular transfer between calf and macaque graafian follicles and culture media.  

E-Print Network [OSTI]

of macromolecules from the follicular fluid into the surrounding vessels or tissues. In vitro culture seems, and the follicles fixed for histological examination to determine oocyte nuclear stages and if pyknosis was present.1 p. 100 amido black in 7 p.100 acetic acid. Two types of medium were tested : : - media from

Paris-Sud XI, Université de

149

Effects of plasma proteins on the sieving of macromolecular tracers in the kidney  

E-Print Network [OSTI]

The ultrafiltration of plasma in the mammalian glomerulus is the first step in the processing of blood by the kidney. Proper functioning of this process is critical to the kidney's ability to effectively eliminate waste ...

Lazzara, Matthew J

2003-01-01T23:59:59.000Z

150

A N U A R I O C I N V E S T A V 985 [DIRECTORIO ELECTRNICO  

E-Print Network [OSTI]

@cinvestav.mx Departamento de Física gherrera@fis.cinvestav.mx glopez@fis.cinvestav.mx http://www.fis

151

Communication between the Micro VAX II and Motorola System-1000 for the protein crystallography data acquisition system  

SciTech Connect (OSTI)

The HFBR H3A project is designed to study internal structure of biological protein. The data acquisition system will make possible the collection of images in a real-time environment. A Motorola System-1000 with 68020/68881 processor and coprocessor is a real-time microcomputer that controls the data acquisition from two dimensional detectors, a spectrometer controlled by five motors etc. A Micro VAX II is the experimental computer, requesting control functions and defining parameters to the Motorola, and performing final data analysis. In this project, the commands and data are transferred from a Micro VAX II to a Motorola System-1000, the data and return parameters are transferred from the Motorola System-1000 to the Micro VAX II. It is necessary that the same device transfer to/from the Motorola be shared on the Micro VAX II side. Real-time data transfer and real-time control are needed for this data acquisition. The communication between the Motorola System-1000 and the Micro VAX II is performed by the VMIVME-DR11W card of the VME Microsystems International Corporation and the MV-DR11-W card of the MDB Systems Inc. 4 figs.

Wang, Hong; Kelley, M.A.

1989-02-07T23:59:59.000Z

152

The Application of X-ray Crystallography towards the Design of Novel Inhibitors of MurA and CDK2  

E-Print Network [OSTI]

the open-closed transformation of the enzyme, like the natural substrate UNAG. Such inhibitors should be much more potent than the inhibitors discovered in this work. CDK2 plays a critical role in the G1- to S-phase checkpoint of the cell cycle. Only a few...

Han, Huijong

2008-10-23T23:59:59.000Z

153

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

SciTech Connect (OSTI)

The research philosophy and new capabilities installed at NSLS beamline X26-C to support electronic absorption and Raman spectroscopies coupled with X-ray diffraction are reviewed. This beamline is dedicated full time to multidisciplinary studies with goals that include revealing the relationship between the electronic and atomic structures in macromolecules. The beamline instrumentation has been fully integrated such that optical absorption spectra and X-ray diffraction images are interlaced. Therefore, optical changes induced by X-ray exposure can be correlated with X-ray diffraction data collection. The installation of Raman spectroscopy into the beamline is also briefly reviewed. Data are now routinely generated almost simultaneously from three complementary types of experiments from the same sample. The beamline is available now to the NSLS general user population.

Orville, A.M.; Buono, R.; Cowan, M.; Heroux, A.; Shea-McCarthy, G.; Schneider, D. K.; Skinner, J. M.; Skinner, M. J.; Stoner-Ma, D.; Sweet, R. M.

2011-05-01T23:59:59.000Z

154

Correlated Single-Crystal Electronic Absorption Spectroscopy and X-ray Crystallography at NSLS Beamline X26-C  

SciTech Connect (OSTI)

The research philosophy and new capabilities installed at NSLS beamline X26-C to support electronic absorption and Raman spectroscopies coupled with X-ray diffraction are reviewed. This beamline is dedicated full time to multidisciplinary studies with goals that include revealing the relationship between the electronic and atomic structures in macromolecules. The beamline instrumentation has been fully integrated such that optical absorption spectra and X-ray diffraction images are interlaced. Therefore, optical changes induced by X-ray exposure can be correlated with X-ray diffraction data collection. The installation of Raman spectroscopy into the beamline is also briefly reviewed. Data are now routinely generated almost simultaneously from three complementary types of experiments from the same sample. The beamline is available now to the NSLS general user population.

A Orville; R Buono; M Cowan; A Heroux; G Shea-McCarthy; D Schneider; J Skinner; M Skinner; D Stoner-Ma; R Sweet

2011-12-31T23:59:59.000Z

155

Getting Crystals Your Crystallographer Will Treasure Richard J. Staples 03/09/2005 1 X-Ray Crystallography Laboratory  

E-Print Network [OSTI]

. What information do we get? A crystal structure provides positive identification of a single crystal to be able to perform these analysis. The positive identification of the compound leaves no interpretation material, solvents? What do we grow the crystals in? Other concerns · Crystal Growth · Crystallization

Meagher, Mary

156

The uTPC Method: Improving the Position Resolution of Neutron Detectors Based on MPGDs  

E-Print Network [OSTI]

Due to the Helium-3 crisis, alternatives to the standard neutron detection techniques are becoming urgent. In addition, the instruments of the European Spallation Source (ESS) require advances in the state of the art of neutron detection. The instruments need detectors with excellent neutron detection efficiency, high-rate capabilities and unprecedented spatial resolution. The Macromolecular Crystallography instrument (NMX) requires a position resolution in the order of 200 um over a wide angular range of incoming neutrons. Solid converters in combination with Micro Pattern Gaseous Detectors (MPGDs) are proposed to meet the new requirements. Charged particles rising from the neutron capture have usually ranges larger than several millimetres in gas. This is apparently in contrast with the requirements for the position resolution. In this paper, we present an analysis technique, new in the field of neutron detection, based on the Time Projection Chamber (TPC) concept. Using a standard Single-GEM with the catho...

Pfeiffer, Dorothea; Birch, Jens; Hall-Wilton, Richard; Höglund, Carina; Hultman, Lars; Iakovidis, George; Oliveri, Eraldo; Oksanen, Esko; Ropelewski, Leszek; Thuiner, Patrik

2015-01-01T23:59:59.000Z

157

2010 Diffraction Methods in Structural Biology  

SciTech Connect (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

2011-03-10T23:59:59.000Z

158

Recent progress in macromolecular phasing, in part stimulated by the high-throughput structural biology initiatives, has made this  

E-Print Network [OSTI]

and MAD require the presence of appropriate heavy or anomalous scatterers -- either naturally occurring may become fully automatic. Addresses Synchrotron Radiation Research Section, National Cancer of normally occurring methionine by genetic engineering. Although these approaches are used routinely

159

www.sbc.anl.gov The Structural Biology Center enables the atomic-scale study of macromolecular  

E-Print Network [OSTI]

auto- centering, extrapolation of radiation damage effects, and semi-automated structure determination viewing optics; 4 An improved sample environment, including back-lit paddles; 4 Easy access to minibeams

Kemner, Ken

160

Instituto Nacional de Salud Pblica http://www.insp.mx/Portal/Centros/ciss/ciss_seminario.html 1 of 2 2/4/06 2:06 AM  

E-Print Network [OSTI]

Consejo Nacional de Investigación sobre la caracterización de riesgo, el bajo peso al nacer, las emisiones

Seager, Sara

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

Sol-Gel Preparation of Bi2MxV1-xO5.5-Films (M ) Cu, Nb; x ) 0.1, 0.3)  

E-Print Network [OSTI]

offer significant advantages over conventional methods in- volving repeated fractional distillation and Background Applications. Air separators utilizing a thin, dense membrane of an oxygen ion conducting material of air, in terms of both efficiency and economics.1,2 Likewise, membrane reactors incorporating an ionic

zur Loye, Hans-Conrad

162

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

SciTech Connect (OSTI)

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

163

El Universal -Ciencia -Factores ambientales influyen en esquizofrenia http://www.eluniversal.com.mx/articulos/73922.html[10/9/2012 1:33:17 PM  

E-Print Network [OSTI]

El Universal - Ciencia - Factores ambientales influyen en esquizofrenia http internet o llame al 5237-0800Twitter Facebook RSS El Universal Suplementos Ciencia Twittear 9 Enviar por la muerte de "El Lazca": Marina Habría caído 'El Lazca', el 'zeta' máximo Autopistas Ciencia Destinos

164

UNAM har monitoreo de cambio climtico en mares -El Universal -Ciencia http://www.eluniversal.com.mx/articulos/67531.html[06/12/2011 18:05:03  

E-Print Network [OSTI]

estaciones de Ciudad del Carmen, Campeche; Mazatlán, Sinaloa, y Puerto Morelos, Quintana Roo Martes 29 de climático en sus estaciones de Ciudad del Carmen, Campeche; Mazatlán, Sinaloa, y Puerto Morelos, Quintana

Islas, León

165

Explicit modeling of organic chemistry and secondary organic aerosol partitioning for Mexico City and its outflow plume  

E-Print Network [OSTI]

de Monitoreo Atmosf´erico, SIMAT, http://www.sma.df.gob.mx/de Monitoreo Atmosf´erico, SIMAT, http://www.sma.df.gob.mx/

2011-01-01T23:59:59.000Z

166

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

E-Print Network [OSTI]

Description and Procedures for Synchrotron Radiation, Smallof RWA 1117. The RWA 1117 procedure for mounting radioactiveRadioactive Crystal Mounting Procedure: Equipment: Glove Box

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

2008-01-01T23:59:59.000Z

167

Modulation of kinase-inhibitor interactions by auxiliary protein binding: Crystallography studies on Aurora A interactions with VX-680 and with TPX2  

SciTech Connect (OSTI)

VX-680, also known as MK-0457, is an ATP-competitive small molecule inhibitor of the Aurora kinases that has entered phase II clinical trials for the treatment of cancer. We have solved the cocrystal structure of AurA/TPX2/VX-680 at 2.3 {angstrom} resolution. In the crystal structure, VX-680 binds to the active conformation of AurA. The glycine-rich loop in AurA adopts a unique bent conformation, forming a {pi}-{pi} interaction with the phenyl group of VX-680. In contrast, in the published AurA/VX-680 structure, VX-680 binds to AurA in the inactive conformation, interacting with a hydrophobic pocket only present in the inactive conformation. These data suggest that TPX2, a protein cofactor, can alter the binding mode of VX-680 with AurA. More generally, the presence of physiologically relevant cofactor proteins can alter the kinetics, binding interactions, and inhibition of enzymes, and studies with these multiprotein complexes may be beneficial to the discovery and optimization of enzyme inhibitors as therapeutic agents.

Zhao, Baoguang; Smallwood, Angela; Yang, Jingsong; Koretke, Kristin; Nurse, Kelvin; Calamari, Amy; Kirkpatrick, Robert B.; Lai, Zhihong (GSKPA)

2008-10-24T23:59:59.000Z

168

Studies of structure and dynamics of biological macro-molecular assemblies by low angle neutron diffraction and inelastic X-ray scattering  

E-Print Network [OSTI]

This thesis is organized into two parts which focus on the studies of the dynamic structure factor and static inter-particle structure factor respectively. In the first part, we have measured and analyzed the dynamic ...

Liu, Yun, 1973-

2005-01-01T23:59:59.000Z

169

Bonding of Macromolecular Hydrogels Using Perturbants Gavrielle M. Price, Kengyeh K. Chu, James G. Truslow, Min D. Tang-Schomer, Andrew P. Golden,  

E-Print Network [OSTI]

and for microfluidic devices.1 One promising route to these structures is layer-by-layer stacking, a widely used of water). Stacked gels are thus unlikely to resist stresses imparted by mechanical pumping or by cells concentrations invariably led to a loss of opacity in type I collagen and fibrin gels as the solute

Tien, Joe

170

Applied Scanning Probe Methods II, (2006) Eds. B. Bhushan and H. Fuchs,, Springer-Verlag; Heidelberg (2005) Probing Macromolecular Dynamics and  

E-Print Network [OSTI]

AND RENÃ? M. OVERNEY Department of Chemical Engineering, University of Washington, Box 351750, Seattle, WA Molecular Motion 15 5. Constraints and Structural Modifications near Interfaces 16 5.1 Interfacial Plasticization 16 5.2 Dewetting Kinetics 16 5.3 Disentanglement Barriers 17 5.4 Interfacial Glass Transition

171

Inverse sensitivity analysis of SISO and MIMO systems using Maletinsky's spline-type modulation function method  

E-Print Network [OSTI]

Method section. Rewritting equation (3-17) to include all k modulations yields x=[ Z, U ] (b) (3-1 8) where 17 M(x, ttt)?. , M(x, 6)k 2 M(x, 8)k, M(x, v)x, . . . M(x v) M(x, @)k 2 M(x, e)k 2 . . M(x "", @)k 2 Recall from equation (3-7) M (x ', g)z... ? (-1)' M(x, e ' )x Thus, U, X and Z may be written as M(u, e )k i -M(u, v )x i . . . (-1) uM(u, v ') M(u, a' ')?2 -M(u, 8 ')k e . . . (-1) "M(u, e' ") (3- I 9a) M(x, @)k M(x, e)k e (3-1 9b) 18 -M(x, g )k t M(x, e )k t . . . ( 1) M(x, ttf x ) -M(x...

Smith, Cherri Imelda

1987-01-01T23:59:59.000Z

172

(MIRU2005)!W2005 G/7 7n 2hA--Ns$rMxMQ$7$?0"F07?%l%s%8%;%s%5$+$iF@$i$l$k 3 !857Au=$I--  

E-Print Network [OSTI]

$l$F$$$k!%¡BJ*BN%b%G%j%s %0$N5;=Q$O!$3X=Q!$;:6H!$%(%s%?!¡%F%$%s%a%s%H$J$IB?$/$NJ, Ln$GI,MW$H$5$l!$$^$?GH5Z8z2L$,4--BT

Tokyo, University of

174

Conformational Exchange in a Membrane Transport Protein Is Altered in Protein Crystals  

SciTech Connect (OSTI)

Successful macromolecular crystallography requires solution conditions that may alter the conformational sampling of a macromolecule. Here, site-directed spin labeling is used to examine a conformational equilibrium within BtuB, the Escherichia coli outer membrane transporter for vitamin B{sub 12}. Electron paramagnetic resonance (EPR) spectra from a spin label placed within the N-terminal energy coupling motif (Ton box) of BtuB indicate that this segment is in equilibrium between folded and unfolded forms. In bilayers, substrate binding shifts this equilibrium toward the unfolded form; however, EPR spectra from this same spin-labeled mutant indicate that this unfolding transition is blocked in protein crystals. Moreover, crystal structures of this spin-labeled mutant are consistent with the EPR result. When the free energy difference between substates is estimated from the EPR spectra, the crystal environment is found to alter this energy by 3 kcal/mol when compared to the bilayer state. Approximately half of this energy change is due to solutes or osmolytes in the crystallization buffer, and the remainder is contributed by the crystal lattice. These data provide a quantitative measure of how a conformational equilibrium in BtuB is modified in the crystal environment, and suggest that more-compact, less-hydrated substates will be favored in protein crystals.

D Freed; P Horanyi; M Wiener; D Cafiso

2011-12-31T23:59:59.000Z

175

Conformational Exchange in a Membrane Transport Protein Is Altered in Protein Crystals  

SciTech Connect (OSTI)

Successful macromolecular crystallography requires solution conditions that may alter the conformational sampling of a macromolecule. Here, site-directed spin labeling is used to examine a conformational equilibrium within BtuB, the Escherichia coli outer membrane transporter for vitamin B{sub 12}. Electron paramagnetic resonance (EPR) spectra from a spin label placed within the N-terminal energy coupling motif (Ton box) of BtuB indicate that this segment is in equilibrium between folded and unfolded forms. In bilayers, substrate binding shifts this equilibrium toward the unfolded form; however, EPR spectra from this same spin-labeled mutant indicate that this unfolding transition is blocked in protein crystals. Moreover, crystal structures of this spin-labeled mutant are consistent with the EPR result. When the free energy difference between substates is estimated from the EPR spectra, the crystal environment is found to alter this energy by 3 kcal/mol when compared to the bilayer state. Approximately half of this energy change is due to solutes or osmolytes in the crystallization buffer, and the remainder is contributed by the crystal lattice. These data provide a quantitative measure of how a conformational equilibrium in BtuB is modified in the crystal environment, and suggest that more-compact, less-hydrated substates will be favored in protein crystals.

Freed, Daniel M.; Horanyi, Peter S.; Wiener, Michael C.; Cafiso, David S. (UV)

2010-09-27T23:59:59.000Z

176

RSC/SCI MACRO GROUP UK YOUNG RESEARCHERS MEETING POSTER ALLOCATIONS  

E-Print Network [OSTI]

Tetrazine-norbornene click chemistry: Applications in macromolecular synthesis and functionalisation (28) Ms

Keeler, James

177

Intersections: SOURCE Symposium & Poster Session 2007 Winners  

E-Print Network [OSTI]

Weight in Poly(vinyl Alcohol) Clay Aerogel Composites." Mentor: Professor David Schiraldi, Macromolecular

Rollins, Andrew M.

178

E-Print Network 3.0 - array integrated read Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

and Information Sciences 8 Computation Visualization Summary: of mxArray to get from MATLAB. Description engGetArray reads the named mxArray from the MATLAB engine... Delete...

179

The photoelastic and mathematical determination of the stresses in a cantilever beam due to a concentrated force  

E-Print Network [OSTI]

my cos mx sinh 2mb + 2mb n S (sinh mb ? mb cosh mb) n + B cosh my cos mx 1 sinh 2mb - 2mb n -S (cosh mb) +Z sinh 2mb + 2mb my cosh my cos mx n S (si, nh mb) +Z 1 sinh 2mb - 2mb my sinh my cos mx (23) where m = ? and n = 1, 2, 3, etc... series are; n c = Z X B (sinh mb ? mb cosh mb) n cosh my cos mx sinh 2mb + 2mb n + 1 -B (cosh mb - mb sinh mb) n sinh my cos mx sinh 2mb ? 2mb n + 1 B (sinh mb) n my sinh my cos mx sinh 2mb + 2mb n -B (cosh mb) n + Z my cosh my cos mx 1...

Boren, Donald Frank

1962-01-01T23:59:59.000Z

180

SECCIN EXTERNA DE TOXICOLOGA Personal acadmico y temas de investigacin  

E-Print Network [OSTI]

emisiones de combustibles derivados de petróleo. avizcaya@mail.cinvestav.mx Guillermo Elizondo Azuela

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

An Integrated Heuristic Approach to Power-Aware Real-Time Scheduling  

E-Print Network [OSTI]

@cs.cinvestav.mx 2 Holon Academic Institute of Technology, Department of Computer Science, 52 Golomb St, Holon 58102

Mejia-Alvarez, Pedro

182

Total lightning observations of severe convection over North Texas  

E-Print Network [OSTI]

Density GSD Gridded Source Density LDAR Lightning Detection and Ranging MCS Mesoscale Convective System MSI Mesocyclone Strength Index MxFED Maximum Flash Extent Density MxFIDT Maximum Flash Initiation Density Total MxGSD Maximum Gridded Source.......................................................................................... 1 1.2 Background ....................................................................................... 4 1.3 Thesis Objectives and Hypothesis...................................................... 19 2. DATA AND METHODOLOGY...

McKinney, Christopher Michael

2009-05-15T23:59:59.000Z

183

Hadronic mass moments in inclusive semileptonic B meson decays  

E-Print Network [OSTI]

We have measured the first and second moments of the hadronic mass-squared distribution in B --> X(c)l nu, for P-lepton > 1.5 GeV/c. We find (M-x(2) - (M) over bar (2)(D)) = 0.251 +/- 0.066 GeV2, ((M-X(2) - (M-X(2))(2)) = ...

Ammar, Raymond G.; Bean, Alice; Besson, David Zeke; Zhao, X.

2001-12-01T23:59:59.000Z

185

Vegetative Propagation and Topophytic Responses of Selected Baldcypress Clones  

E-Print Network [OSTI]

91º12’6’W Bayou Teche, LA EP2D 29º48’0’N 91º47’24’W Iberia Parish, LA EP1D 32º20’24’N 94º42’0’W Lake Cherokee, TX TX3D 29º47’24’N 99º35’24’W Sabinal River, TX TX8D 29º52’48’N 97º55’48’W San Marcos River, TX MX1M 25º52’48’N 97...º27’0’W Southmost, TX MX2M 25º18’36’N 104º38’24’W Rio Nazas, MX MX4M 27º51’0’N 101º7’48’W Rio Sabinas, MX MX5M 26º4’12’N 97º54’36’W Progreso, TX MX6M - z - - z...

King, Andrew Richard

2012-10-19T23:59:59.000Z

186

391st Brookhaven Lecture  

ScienceCinema (OSTI)

A description of how crystallography methods work and how several results obtained using the NSLS have impacted biological science.

Bob Sweet

2010-09-01T23:59:59.000Z

187

JOURNAL DE PHYSIQUE Colloque C5, supplement au no 8, Tome 47, aoQt 1986  

E-Print Network [OSTI]

DETECTOR DATA BY HARDWARE (DACOM) FOR STATIC AND TIME-RESOLVED CRYSTALLOGRAPHY H.D. BARTUNIK*, C. BOULIN

Paris-Sud XI, Université de

188

Protein Characterisation by Synchrotron Radiation Circular Dichroism (SRCD) Spectroscopy  

SciTech Connect (OSTI)

Circular dichroism (CD) spectroscopy is a well-established technique for the study of proteins. Synchrotron radiation circular dichroism (SRCD) spectroscopy extends the utility of conventional CD spectroscopy (i.e. using laboratory-based instruments) because the high light flux from a synchrotron enables collection of data to lower wavelengths, detection of spectra with higher signal-to-noise levels and measurements in the presence of strongly absorbing non-chiral components such as salts, buffers, lipids and detergents. This review describes developments in instrumentation, methodologies and bioinformatics that have enabled new applications of the SRCD technique for the study of proteins. It includes examples of the use of SRCD spectroscopy for providing static and dynamic structural information on molecules, including determinations of secondary structures of intact proteins and domains, assessment of protein stability, detection of conformational changes associated with ligand and drug binding, monitoring of environmental effects, examination of the processes of protein folding and membrane insertion, comparisons of mutant and modified proteins, identification of intermolecular interactions and complex formation, determination of the dispositions of proteins in membranes, identification of natively disordered proteins and their binding partners and examination of the carbohydrate components of glycoproteins. It also discusses how SRCD can be used in conjunction with macromolecular crystallography and other biophysical techniques to provide a more complete picture of protein structures and functions, including how proteins interact with other macromolecules and ligands. This review also includes a discussion of potential new applications in structural and functional genomics using SRCD spectroscopy and future instrumentation and bioinformatics developments that will enable such studies. Finally, the appendix describes a number of computational/bioinformatics resources for secondary structure analyses that take advantage of the improved data quality available from SRCD. In summary, this review discusses how SRCD can be used for a wide range of structural and functional studies of proteins.

Wallace, B.

2009-01-01T23:59:59.000Z

189

E-mail: {vanno,k-hase,ki}@cvl.iis.u-tokyo.ac.jp 5pBgJ*BN$N3 !857Au7WB,$G$O!$%/%l!%s$d%X%j%3%W%?Ey$rMxMQ$7$?6uCf$+$i$N%9%-%c%s$,8z2LE*$JJK!$N1 $D$H  

E-Print Network [OSTI]

%s%H$J$IB?$/$NJ,Ln$GI,MW$H$5$l!$$^$?GH5Z8z2L$,4-- BT$G$-$k!% $=$NCf$G$b!$5pBgJ82=0d;:$N%b%G%k%j%s%0$O$b$C$H$b =EMW$G!$Jq3g!%$^$:!$%b%G%k2=$r$*$3$J$&$3$H $G!$J82=0d;:$N7A¿u$r%G%8%?%k2=$5$l$?%G!¡%?$H$7$F!$ %"!¡%+%$%V2=$9$k$3$H

Tokyo, University of

190

SECCIN EXTERNA DE TOXICOLOGA Personal acadmico y temas de investigacin  

E-Print Network [OSTI]

atmosféricos y emisiones de combustibles derivados de petróleo. avizcaya@mail.cinvestav.mx Ma. de la Luz Del

191

E-Print Network 3.0 - al-fe-mn-si obtidas por Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

o sistema Mx b. (d) Seja "x M b" a aproximacao da solucao obtida por MATLAB. Sejam y e z... as aproximacoes obtidas atraves das suas implementacoes da...

192

E-Print Network 3.0 - altered insulin receptor Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

receptor substrate; MSC, mesenchymal stem cell; 1-MX, 1... is positively correlated with capillary density (79). In cultured myocytes, insulin acti- vates insulin receptor... and...

193

6 7 7 3 2 4 5 1 6 -2 0 0 7 F A X : 5 7 2 -4 0 3 8  

E-Print Network [OSTI]

ISO 9001 2010 #12;1. ( ) 2. 3. 4. 400 (JPG ) 500 / ( ) 5. 99 11 31 ( ) 6. yrluo@mx.nthu. edu.tw ( ) 7

Huang, Haimei

194

E-Print Network 3.0 - autonoma metropolitana- ixtapalapa Sample...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

@mathstat.dal.ca 36. Janitzio Mejia Huguet Universidad Autonoma Metropolitana, Mexico vjanitzio@yahoo.com.mx 37... University of Brest, France Luis.Gallardo@univ-brest.fr...

195

Full-color transflective cholesteric LCD with image-enhanced reflector Yi-Pai Huang, Xinyu Zhu,  

E-Print Network [OSTI]

Optronics Corp., Hsinchu, Taiwan, 300, R.O.C. M-X. Chan, S-H. Lin, and H-P. D. Shieh are with the Institute

Wu, Shin-Tson

196

avanzado estudio prospectivo: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Tlaxcala DifusinCinvestav Subdireccin de Posgrado www.cinvestav.mx Cinvestav Ciencia y Avanzados del IPN Ciencia y tecnolog-a de clase mundial Presentacin y de...

197

avanzado tras estadiaje: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Tlaxcala DifusinCinvestav Subdireccin de Posgrado www.cinvestav.mx Cinvestav Ciencia y Avanzados del IPN Ciencia y tecnolog-a de clase mundial Presentacin y de...

198

ambientales provocadas por: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

e Numeriche Applicate all'Ingegneria Ambientale 12 Demeio, Lucio 5 El Universal -Ciencia -Factores ambientales influyen en esquizofrenia http:www.eluniversal.com.mx...

199

avanzado para control: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Tlaxcala DifusinCinvestav Subdireccin de Posgrado www.cinvestav.mx Cinvestav Ciencia y Avanzados del IPN Ciencia y tecnolog-a de clase mundial Presentacin y de...

200

ambientales por inmunoanalisis: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

e Numeriche Applicate all'Ingegneria Ambientale 12 Demeio, Lucio 3 El Universal -Ciencia -Factores ambientales influyen en esquizofrenia http:www.eluniversal.com.mx...

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201

ambientales por espectrometria: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

e Numeriche Applicate all'Ingegneria Ambientale 12 Demeio, Lucio 3 El Universal -Ciencia -Factores ambientales influyen en esquizofrenia http:www.eluniversal.com.mx...

202

ambientales por plaguicidas: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

e Numeriche Applicate all'Ingegneria Ambientale 12 Demeio, Lucio 3 El Universal -Ciencia -Factores ambientales influyen en esquizofrenia http:www.eluniversal.com.mx...

203

adenocarcinoma colorrectal avanzado: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Tlaxcala DifusinCinvestav Subdireccin de Posgrado www.cinvestav.mx Cinvestav Ciencia y Avanzados del IPN Ciencia y tecnolog-a de clase mundial Presentacin y de...

204

ambientales registradas por: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

e Numeriche Applicate all'Ingegneria Ambientale 12 Demeio, Lucio 4 El Universal -Ciencia -Factores ambientales influyen en esquizofrenia http:www.eluniversal.com.mx...

205

E-Print Network 3.0 - apply diffusion barrier Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

radioactive waste confinement Summary: and solute diffusion in an engineered barrier for radioactive waste confinement. G. Montes-H et al. Applied... barrier (MX80 bentonite)...

206

Publications  

E-Print Network [OSTI]

... from a complex piece of information ? Link; Further Exponential Generalization of Pitman's 2M-X theorem, Electronic Communications in Probability, Vol.

207

Research of F. Baudoin  

E-Print Network [OSTI]

We present a class of processes which enjoy an exponential analogue of Pitman's 2M-X theorem, improving hence some works of H. Matsumoto and M. Yor.

208

download here my CV  

E-Print Network [OSTI]

Jan 18, 2012 ... F. Baudoin: Further Exponential Generalization of Pitman's 2M-X theorem, Elec- tronic Communications in Probability, Vol. 7, 37-46, (2002). 27.

Author

2012-03-19T23:59:59.000Z

209

Application to Export Electric Energy OE Docket No. EA-406 Sempra...  

Broader source: Energy.gov (indexed) [DOE]

EA-406 Sempra Generation (MX).pdf More Documents & Publications Application to Export Electric Energy OE Docket No. EA-406 Sempra Generation, LLC Application to Export Electric...

210

Application to Export Electric Energy OE Docket No. EA-406 Sempra...  

Broader source: Energy.gov (indexed) [DOE]

EA-406 Sempra Generation (MX).pdf More Documents & Publications Application to Export Electric Energy OE Docket No. EA-406 Sempra Generation, LLC: Federal Register Notice, Volume...

211

Application to Export Electric Energy OE Docket No. EA-403 Frontera...  

Broader source: Energy.gov (indexed) [DOE]

Frontera Marketing to export electric energy to Mexico. EA-403 Frontera Marketing (MX).pdf More Documents & Publications Record of Categorical Exclusion (CX) Determination, Office...

212

Baselines For Land-Use Change In The Tropics: Application To Avoided Deforestation Projects  

E-Print Network [OSTI]

E. Chiapas, Mexico, and F. Campeche, Mexico. “Project area”Atlantic Rainforest). Campeche, MX Lowland moist with dryBolivia Paraná, Brazil Campeche, Mexico Chiapas, Mexico

2007-01-01T23:59:59.000Z

213

E-Print Network 3.0 - apalachicola bay florida Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

SEA Summary: . (1) Apalachicola Bay, FL; (2) Cedar Key, FL; (3) Port Aransas, TX; (4) Tabasco, Mexico; (5) Puerto... , Apalachicola Bay, FL; CK, Cedar Key, FL; MX, Tabasco,...

214

30 de enero 2012 ESTADO SLIDO  

E-Print Network [OSTI]

del edificio principal Email: cecilia@fisica.unam.mx Aydante: M.C. Francisco Hidalgo Moreno Instituto de Física UNAM Oficina 61 del edificio principal Email: hidalgo@fisica.unam.mx Lunes y Martes 13 a 15 hrs, Jueves de 16 a 18 hrs. Página web con información y tareas http://www.fisica

Noguez, Cecilia

215

Genomics Approaches to Study Molecular and Cellular Mechanisms of Host Response to Avian Influenza Virus in Chickens  

E-Print Network [OSTI]

have been utilized in the current study to investigate the host-AIV interactions in chickens. The Ser to Asn mutation on position 631 in the chicken Mx1 protein was reported to result in a positive antiviral function in vitro. With AIV infection, the Mx...

Wang, Ying

2012-02-14T23:59:59.000Z

216

DEPARTAMENTO DE ECOLOGA HUMANA  

E-Print Network [OSTI]

. Evaluación del impacto ambiental de las actividades humanas. batllori@mda.cinvestav.mx Eric John Castañares problemática ecológica-ambiental, al manejo de recursos natu- rales y al desarrollo rural. ecastana socioculturales y ambiente biótico y abiótico. dickinso@mda.cinvestav.mx Betty B. Faust Wammack. Investigadora

217

Adaptive Rest Condition Potentials: First and Second Order Edge-Preserving Regularization  

E-Print Network [OSTI]

, Gto. Mexico 36020 {mrivera,jlm}@cimat.mx http://www.cimat.mx/mrivera #12;Abstract A new regularization formulation for inverse problems in computer vision and image processing is introduced, which allows one processing, have been published [5]­[27]. These methods have demonstrated their performance in detecting

Rivera, Mariano

218

RESEARCH ACTIVITIES Division of Heat and Power Technology  

E-Print Network [OSTI]

Euro Necessary space Rig in use: 45m2 (9mx5m), storage: ca 14 m2 (7mx2m) General application Experimental to high subsonic operation Application for industry Testing of aerodynamic damping of blade rows Turbine - Division of Heat and Power Technology Object Cold Flow Test Turbine Brand name ABB STAL design

Kazachkov, Ivan

219

Validation of three new measure-correlate-predict models for the long-term prospection of the wind resource  

E-Print Network [OSTI]

, Instituto Tecnológico y de Estudios Superiores de Monterrey, CP 64849, Monterrey, Nuevo León, Mexico 2: oprobst@itesm.mx. URL: http:// fisica.mty.itesm.mx/fisica/WEG/. JOURNAL OF RENEWABLE AND SUSTAINABLE ENERGY 3, 023105 2011 3, 023105-11941-7012/2011/3 2 /023105/20/$30.00 © 2011 American Institute

Maryland at College Park, University of

220

THE INSTITUTE OF ELECTRONICS, INFORMATION AND COMMUNICATION ENGINEERS  

E-Print Network [OSTI]

$$$C$?%b%G%k$GJ];$7$F$*$-!$$=$N¿pJs$rMxMQ$7$F =--5n$9$k¡jK![3], [4]!$%^%$%/%m%[%s%"%l!¡$rMxMQ$7$F;(2;$r=-- 5n$9$k

Takiguchi, Tetsuya

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,
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We encourage you to perform a real-time search of NLEBeta
to obtain the most current and comprehensive results.


221

De novo protein crystal structure determination from X-ray free-electron laser data  

SciTech Connect (OSTI)

Serial femtosecond crystallography (SFX) data of microcrystals of a lysozyme gadolinium derivative. The data was used to demonstrate de-novo phasing by single anomalous dispersion.

Barends, Thomas, R.M.

2013-11-25T23:59:59.000Z

222

Taking snapshots of different redox states of the water oxidation...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

understanding the photosynthetic water oxidation catalytic process. Using femtosecond X-ray crystallography combined with laser pulse excitation the team obtained a structure of...

223

De novo protein crystal structure determination from X-ray free-electron laser data  

DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

Serial femtosecond crystallography (SFX) data of microcrystals of a lysozyme gadolinium derivative. The data was used to demonstrate de-novo phasing by single anomalous dispersion.

Barends, Thomas, R.M.

224

UNIVERSITY OF CALIFORNIA, SANTA CRUZ CHEMISTRY & BIOCHEMISTRY DEPARTMENT  

E-Print Network [OSTI]

determination. Training activities will involve assisting students, postdoctoral researchers, and other using x-ray crystallography. PREFERRED QUALIFICATIONS: Postdoctoral or equivalent research experience

California at Santa Cruz, University of

225

Supercomputers help ORNL researchers identify key molecular switch...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

been viewed as static molecules, and almost everything we know about them comes from static images, such as those produced with X-ray crystallography," Zhulin said. "But...

226

SciTech Connect: National synchrotron light source. Activity...  

Office of Scientific and Technical Information (OSTI)

materials; time resolved spectroscopy; UV photoemission and surface science; x-ray absorption spectroscopy; x-ray scattering and crystallography; x-ray topography; the 1995 NSLS...

227

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

SciTech Connect (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

228

E-Print Network 3.0 - anticipatory precrash restraint Sample...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

Highly Error-Tolerant Macromolecular Structure Determination from Multidimensional Nuclear Summary: . The algorithm incorporates three main features: a linear energy function...

229

Developing novel polymer architectures for applications In magnetic resonance imaging and self-assembly  

E-Print Network [OSTI]

Macromolecular scaffolds for drug delivery, self-assembly, and imaging applications have attracted significant attention over the last several decades. As polymerization techniques become more sophisticated, it becomes ...

McCombs, Jessica R. (Jessica Rose)

2013-01-01T23:59:59.000Z

230

E-Print Network 3.0 - aromatic hydrocarbon clusters Sample Search...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

aliphatic chains as key intermediates for the nucleation Summary: to macromolecular building blocks (nanoparticles) that eventually turn into soot. Polycyclic aromatic...

231

Harris-Stephens' combined corner/edge detector Frank Nielsen, INF555  

E-Print Network [OSTI]

) = [u v]Mx,y[u v]T , where Mx,y is a 2 � 2 positive definite matrix computed as Mx,y = u,v w(u, v) (I x )2 I x I y I y I x (I y )2 = u,v w(u, v) I(u, v)( I(u, v))T , (1) with is the discrete image gradient Alvey Vision Conference (Manchester, UK), pp. 147­151, 1988. 2. M. Zuliani, C. Kenney and B. S

Nielsen, Frank

232

Mexican border: an economic alternative for a meatpacking plant  

E-Print Network [OSTI]

be used to produce a given level of output. Figure 3 shows the combination of capital and labor and the Capital US k K 1 MX k K 2 0 L US 1 L Isoquant (output) L MX Labor 2 L Figure 3. Isoquant Map resulting substitution possibilities among... are increasingly demanding, and which require meticulous labor that machines are not able to perform. Figure 6 describes this situation. As was shown, to produce Q, output Capital K 1 K 0 Q 1 I I I Q Q USI 0 I I I Q MX 1 LUSL L US' L 0 L 1 2 L 3...

Chapa-Dominiguez, Hervey

1989-01-01T23:59:59.000Z

233

E-Print Network 3.0 - alto riesgo social Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

de Investigacin sobre la caracterizacin de riesgo, el bajo peso al nacer, las emisiones... :www.insp.mxPortalCentroscisscissseminario.html 2 of 2 2406 2:06 AM...

234

Astronomy Department UC Berkeley B-20 Hearst Field Annex # 3411 Berkeley, CA 94720  

E-Print Network [OSTI]

are primary goals of the Astronomy Decadal Review. NASA, Goddard Space Flight Center, Greenbelt, MD NPP Fellow://ratir.astroscu.unam.mx/public/ · Support the construction (mechanical, cryogenic, optical, and electronic systems), commissioning

Militzer, Burkhard

235

e-Polymers 2008, no. 034 http://www.e-polymers.org  

E-Print Network [OSTI]

Toluca-Atlacomulco, San Cayetano 50200, Mexico; oleaoscar@yahoo.com.mx (Received: 6 June, 2007; published formation of smaller particles of the dispersed PS phase in PP matrix blends, there is improved energy

North Texas, University of

236

Environmental and social responsibility in the coffee industry : a case for Oaxaca, Mexico  

E-Print Network [OSTI]

wb3/work/sites/spc/resources/PDFContent/1108/ Encuesta_www.spcafe.org.mx/wb3/wb/ spc>. Snyder, Richard (Richarddel Sistema Producto Café, SPC) in 2004, which work with the

Rimburg, Natalya

2012-01-01T23:59:59.000Z

237

The Determinants of Homeonwership in Presence of Shocks Experienced by Mexican Households  

E-Print Network [OSTI]

para el Desarrollo de Recursos Humanos (FIDERH) for providing me financial support for graduate studies. I want to acknowledge the invaluable support that the Mexican Family Life Survey (MxFLS) provided through its website and for that reason...

Lopez Cabrera, Jesus Antonio 1977-

2012-11-05T23:59:59.000Z

238

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

Broader source: Energy.gov (indexed) [DOE]

Mexico. EA-338-A Shell Energy (MX).pdf More Documents & Publications EA-338-A Shell Energy North America (US), L.P. EA-338 Shell Energy North America (US), L.P. EA-339 Shell Energy...

239

Application to Export Electric Energy OE Docket No. EA-401 Lonestar...  

Broader source: Energy.gov (indexed) [DOE]

LLC Application to Export Electric Energy OE Docket No. EA-401 Lonestar Power Marketing LLC Application from Lonestar to export electric energy to Mexico. EA-401 Lonestar (MX).pdf...

240

ON RATES OF CONVERGENCE FOR STOCHASTIC ...  

E-Print Network [OSTI]

where Mx(t) := IE[etG(x,?)] is the moment generating function of G(x, ?) evaluated at t. Hence, in ... x in Proposition 2.1 is dominated by the log-moment generating.

2008-01-25T23:59:59.000Z

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,
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to obtain the most current and comprehensive results.


241

The electrochemical measurements were conducted using a three-electrode cell at 25 C. A Pt wire and an Ag/AgCl (in saturated KCl) were used as the  

E-Print Network [OSTI]

in Millipore water (18 MX cm). The working electrode was brushed with a cata- lyst ink as described previously using hollow graphitic nanoparticles or commercial cata- lyst) and cathode (Pt black, Johnson

Gao, Hongjun

242

Direct current measurement of ohmic resistance of high conductivity solutions by means of polarized electrodes  

E-Print Network [OSTI]

) f(~. -R) ~ z cell e Iofl i a x (R-R)~k col c y I'. q, (I I ) lacer:;. e:: x mx (I Z) Notion that Ifq, (IZ) fa n poiyaomfal Ifoear in fhk un'atovua m, ' and b and ot tha I'orm " = -n . . '. k f(. ") ' b the K:othod of Lmt Squares anb~ fm... modify: pp". ! e": F(r, , !;, b) = Q (z -mx. -!. y -b) 2 ' I gP/m ~ . (-:. -mx. -sy -b)(-x) ~ 0 2 t +Sy '-bg" = Q x. z "i ' ' 'I' I "I i I (13) l n ZFj?'-~ Q . . (" -mx -ky -b)(y)~0 f~1 "i I m ~ xy cf:Qy; b+y, =~+. -. , y Z I i I f ' I i~n gp...

Artecona, Victor Manuel

1959-01-01T23:59:59.000Z

243

Pneumatic vibratory cleaner conveyor for sugarcane  

E-Print Network [OSTI]

along the x axis will be: Z F = F cosp ? Wsinf = mx x 2 mx ? CAp [v +( s-x) cosP-ysinP] A cosp/2 + Wsing = 0 [21] l, ikewise, the summation of all forces along y axis will be: Z F = F sing - Wcosg = my y A 2 my ? CAp[v (s-x)cosg-ysinP] sind/2... (y/x) The aerodynamic drag force will be: F = CApv /2 = CAp(x +y )/2 2 '2 '2 D As done in the previous sections, the summation of forces and moments will be: Z F ~ ? F cos6 - Wein/ = mx x D mx + CAp(x +y )cos[arctan(y/x)]/2 + Wein/ = 0 2 2 [2Z...

Oliveira, Roberto Costa de

1983-01-01T23:59:59.000Z

244

Imprimir pgina en el sigloXXI  

E-Print Network [OSTI]

sustancias químicas y como si todo lo natural 4/1/2011 La química en el siglo XXI www.comoves.unam.mx/.../quimica

Talanquer, Vicente A.

245

Spectra and dynamics of calcium monochloride  

E-Print Network [OSTI]

The alkaline earth monohalides (MX) represent an ideal molecule for studying molecular Rydberg states, as they are well described as by an ion-core containing two closed shell atomic ions (M2+,X-) and an unpaired electron. ...

Clevenger, Jason O

2002-01-01T23:59:59.000Z

246

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

Broader source: Energy.gov (indexed) [DOE]

Notice. EA-314-A BP EnergyMX..pdf More Documents & Publications Application to export electric energy OE Docket No. EA-315-A BP Energy: Federal Register Notice Volume 76, No....

247

Application to Export Electric Energy OE Docket No. EA-336-A...  

Broader source: Energy.gov (indexed) [DOE]

Application from ConocoPhillips Company to export electric energy to Mexico. Federal Register Notice. EA-336-A ConocoPhillips (MX).pdf More Documents & Publications Application to...

248

Search for Maximal Flavor Violating Scalars in Same-Charge Lepton Pairs in pp-bar Collisions at sqrt[s]=1.96 TeV  

E-Print Network [OSTI]

Models of maximal flavor violation (MxFV) in elementary particle physics may contain at least one new scalar SU(2) doublet field ?FV=(?[superscript 0],?[superscript +]) that couples the first and third generation quarks ...

Miles, Christopher J.

249

PowerOptimized Scheduling Server for RealTime Tasks Pedro MejiaAlvarez \\Lambda , Eugene Levner y , Daniel Moss'e z  

E-Print Network [OSTI]

. pmejia@cs.cinvestav.mx y Holon Academic Institute of Technology, Department of Com­ puter Science, 52 Golomb ST, Holon 58102 Israel. levner@hait.ac.il z Computer Science Department, University of Pittsburgh

Mejia-Alvarez, Pedro

250

Multiple Target Tracking with Motion Priors Francisco Madrigal Mariano Rivera Jean-Bernard Hayet  

E-Print Network [OSTI]

Centro de Investigaci´on en Matem´aticas (CIMAT) Guanajuato, Gto., M´exico pacomd@cimat.mx, mrivera with binary blobs detected from a background modeling algorithm [1], and with using stochastic processes tools

Rivera, Mariano

251

Mutual Information-based Fitness Functions for Evolutionary Circuit Synthesis  

E-Print Network [OSTI]

, Gto. C.P. 36000 MEXICO Email: artha@cimat.mx Carlos A. Coello Coello CINVESTAV-IPN Computer Science tells us there is a limit in the amount of information that can be removed from a random process without

Fernandez, Thomas

252

8th International Symposium on Laser Metrology Macro-, micro-, and nano-technologies applied in science, engineering, and industry.  

E-Print Network [OSTI]

.C., Departamento de Ciencias de la Computación, Apdo 402, 36000, Guanajuato, Gto. México, mrivera@cio.mx ABSTRACT with those characteristics. The method is initially introduced as a phase refinement process for computed

Rivera, Mariano

253

IS-PAES: MULTIOBJECTIVE OPTIMIZATION WITH EFFICIENT CONSTRAINT HANDLING  

E-Print Network [OSTI]

of Computer Science, Guanajuato, Gto. 36240, MEXICO artha,botello,giovanni@cimat.mx Carlos Coello Coello solutions are favored by the selection process. Despite the popularity of penalty functions, they have

Coello, Carlos A. Coello

254

Basis Tensor Decomposition for Restoring IntraVoxel Structure and Stochastic Walks for Inferring Brain Connectivity in  

E-Print Network [OSTI]

@cimat.mx) Centro de Investigacion en Matematicas A.C., Apdo. Postal 402, Guanajuato, Gto., 36000, Mexico. Abstract the tensor to be positive definite and a post-processing that guarantees the positiveness is required

Rivera, Mariano

255

550077 9966110011 66 7777332244 551166--22000077 FFAAXX  

E-Print Network [OSTI]

@mx.nthu.edu.tw 2007 () I082 10/02() 3 Six Sigma I083 10/04() Six Sigma 10/09() I084 10/11() I085 10

Huang, Haimei

256

active region transition: Topics by E-print Network  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

concentrations (> 5times1018 Mx) associated with active network and plage, small-scale mixed fields are absent and any short loops can connect just the peripheries of the...

257

E-Print Network 3.0 - accidents dosimetrie biologique Sample...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

J.A. and Gibson, J.A.B., Nuclear Accident Dosimetry; Part III, Interpretation and Data, AERE-R 7... width at half maxiBUS of MX) is. The dosimeters were irradiated at dosimetry ......

258

Passivity Analysis of a Motion Controller for Robot Manipulators with Dynamic Friction  

E-Print Network [OSTI]

. Postal 2615, Adm. 1 Ensenada, B.C., 22800, MEXICO e­mail: rkelly@cicese.mx ABSTRACT This paper addresses involved in this physical phenomenon such as material of the bodies in contact, lubrication, temperature

Paris-Sud XI, Université de

259

Flow Measurement and Instrumentation 16 (2005) 157162 www.elsevier.com/locate/flowmeasinst  

E-Print Network [OSTI]

, ultrasound, magnetic resonance, optical methods and Corresponding author. E-mail address: jcortiz@imp.mx (C of suitable processes are those occurring in mixing or stirring vessels, fluidized bed reactors, separator

Martin, Roland

2005-01-01T23:59:59.000Z

260

THE INSTITUTE OF ELECTRONICS, INFORMATION AND COMMUNICATION ENGINEERS  

E-Print Network [OSTI]

'$r:.9g%,%&%9J,I[ (GMM) $H$$$C$?%b%G%k$GJ];$7$F$*$-!$$=$N¿pJs$rMxMQ$7$F =--5n$9$k¡jK![2]!A[4]!$%^%$%/%m

Takiguchi, Tetsuya

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

E-Print Network 3.0 - adult primary liver Sample Search Results  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

flox ;Mx1Cre adult induced mice have severe liver cysts and fibrosis As we continued to test... months post-Pkd1 adult deletion. Representative H&E-stained liver sections (40...

262

Advances in diapriid (Hymenoptera: diapriidae) systematics, with contributions to cybertaxonomy and the analysis of rRNA sequence data  

E-Print Network [OSTI]

........................................................................................................................ 185 vii LIST OF TABLES TABLE Page 1.1 Taxonomic summary of diapriid diversity by biogeographical region ...... 3 2.1 Sampling of projects currently maintained in a single instance of mx, a content management system for biological systematists.... ............................................................................................. 16 3.1 Mannomicrus jessei (Mann), female ........................................................ 33 4.1 Simplified relationships implemented in mx used to store host records .. 45 5.1 Representative diapriids...

Yoder, Matthew Jon

2009-05-15T23:59:59.000Z

263

Dining philosophers with masking tolerance to crash faults  

E-Print Network [OSTI]

MX algorithm in this proof. Also note that we can use the unobstructed exit of MX because it also does not make any assumptions about the eating time of the processes in the exclusion group. Step 3: Lemma 1 - No correct proxy eats forever in any... . . . . . . . . . . . . 6 a. Wait chains and starvation in dining . . . . . . . 7 3. The drinking philosophers problem . . . . . . . . . . . 7 C. System model . . . . . . . . . . . . . . . . . . . . . . . . . 8 1. Asynchronous message-passing system . . . . . . . . . 8 2...

Idimadakala, Vijaya K.

2009-05-15T23:59:59.000Z

264

URANIUM IN ALKALINE ROCKS  

E-Print Network [OSTI]

Heinrich; Petrology and Mineralogy of the Mt. Rosa Area, ElDana 1958 A textbook of mineralogy with an extended treatiseon crystallography and physical mineralogy, Dana, E.S. , and

Murphy, M.

2011-01-01T23:59:59.000Z

265

LIST OF JOURNAL PUBLICATIONS Mark Aindow  

E-Print Network [OSTI]

1 LIST OF JOURNAL PUBLICATIONS Mark Aindow 1987 1. Hexagonal Crystallography and Interphase, J Micros Res Tech 23: 98-99 (1992). 10. The Use of Electrochemical Scanning Tunneling Microscopy

Alpay, S. Pamir

266

Statistical Analysis of Crystallization Database Links Protein Physico-Chemical Features with Crystallization Mechanisms  

E-Print Network [OSTI]

X-ray crystallography is the predominant method for obtaining atomic-scale information about biological macromolecules. Despite the success of the technique, obtaining well diffracting crystals still critically limits going ...

Fusco, Diana

267

MEDIA ADVISORY  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

skills to the test Monday in the Protein Crystallography Station at the Los Alamos Research Park. The students will learn about the history and theory of X-ray...

268

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

269

Two new, single-isomer, sulfated ?-cyclodextrins for use as chiral resolving agents for enantiomer separations in capillary electrophoresis  

E-Print Network [OSTI]

electrophoresis (CE), respectively. X-ray crystallography, MALDI-TOF mass spectrometry and 1H as well as 13C NMR spectroscopy allowed for unambiguous characterization of the structure of each intermediate and the final product....

Busby, Michael Brent

2006-08-16T23:59:59.000Z

270

Automated Streak Seeding With Micromachined Silicon Tools Atanas Georgiev,a*  

E-Print Network [OSTI]

-throughput (HTP) protein crystallography, there are still several bottlenecks, which hold up the large-scale X for data collection and structure solution by modern HTP software. In Phase 1 of the Protein Structure

Allen, Peter K.

271

Streak Seeding Automation Using Silicon Tools CUCS-015-06  

E-Print Network [OSTI]

diseases. Despite the recent impressive achievements in the high-throughput (HTP) protein crystallography solution by the modern HTP software. In pilot studies of Phase 1 of the Protein Structure Initiative (PSI

Georgiev, Atanas

272

Researchers recruit Titan to study key molecular switch that...  

Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

images, such as those produced with x-ray crystallography. But signaling is a dynamic process, which is difficult to fully understand using only snapshots." To move beyond such...

273

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

SciTech Connect (OSTI)

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

274

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

SciTech Connect (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

275

LCLS-II New Instruments Workshops Report  

SciTech Connect (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

A Synthetic Coiled-Coil Interactome Provides Heterospecific Modules for Molecular Engineering  

E-Print Network [OSTI]

The versatile coiled-coil protein motif is widely used to induce and control macromolecular interactions in biology and materials science. Yet the types of interaction patterns that can be constructed using known coiled ...

Reinke, Aaron Wade

277

Structure-based model for light-harvesting properties of nucleic acid nanostructures  

E-Print Network [OSTI]

Programmed self-assembly of DNA enables the rational design of megadalton-scale macromolecular assemblies with sub-nanometer scale precision. These assemblies can be programmed to serve as structural scaffolds for secondary ...

Pan, Keyao

278

Vaccine delivery with microneedle skin patches in nonhuman primates  

E-Print Network [OSTI]

Transcutaneous drug delivery from planar skin patches is effective for small-molecule drugs and skin-permeable vaccine adjuvants. However, to achieve efficient delivery of vaccines and other macromolecular therapeutics ...

Li, Adrienne V

279

Australian Colloid and Interface Symposium  

E-Print Network [OSTI]

of Macromolecular Science and Engineering, Applied Physics Program, Biophysics, and Optical Physics Forces, Nanotribology and Biological Interactions Sponsored by the Particulate Fluids Processing Centre of Chemical Engineering, the Materials Department and the Biomolecular Science and Engineering Department. He

Sparks, Donald L.

280

Investigations of peptide structural stability in vacuo   

E-Print Network [OSTI]

Gas-phase analytical techniques provide very valuable tools for tackling the structural complexity of macromolecular structures such as those encountered in biological systems. Conformational dynamics of polypeptides and ...

Kalapothakis, Jason Michael Drosos

2010-06-28T23:59:59.000Z

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

Characterization of marine exopolymeric substance (EPS) responsible for binding of thorium (IV) isotopes  

E-Print Network [OSTI]

might actually be responsible for thorium-234 complexation to macromolecular organic matter. This research helped to improve our understanding of the observed variability in POC/234Th ratios in the ocean and provided insights into factors that regulate...

Alvarado Quiroz, Nicolas Gabriel

2005-08-29T23:59:59.000Z

282

Development of polymer and lipid materials for enhanced delivery of nucleic acids and proteins  

E-Print Network [OSTI]

The development of synthetic vectors enabling efficient intracellular delivery of macromolecular therapeutics such as nucleic acids and proteins could potentially catalyze the clinical translation of many gene and protein-based ...

Eltoukhy, Ahmed Atef

2013-01-01T23:59:59.000Z

283

A High-Throughput Macromolecule Characterization System  

E-Print Network [OSTI]

stability of macromolecules in response to various environmental perturbations. Numerous proteins and macromolecular complexes have been analyzed by EPDs to summarize results from large data sets from multiple biophysical techniques. The current EPD method...

Kim, Jae Hyun

2013-08-31T23:59:59.000Z

284

Effect of V and Ta on the precipitation behavior of 12%Cr reduced activation ferrite/martensite steel  

SciTech Connect (OSTI)

12%Cr reduced activation ferrite/martensite steels are promising candidate materials for good corrosion and irradiation resistance used for supercritical water-cooled reactor cladding and in-core components. V and Ta are considered to have improved the creep strength of high Cr steels by precipitating as MX phase. In this paper, a series of trial products microalloyed with V and V–Ta are produced, and the microstructure is characterized after quenching at 1050 °C and tempering at 780 °C by using TEM method to investigate the effect of these elements on the precipitation behavior of 12%Cr reduced activation ferrite/martensite steel. The results from both the experimental observations and thermodynamic and kinetic calculations reveal that V and V–Ta can promote the stable MX precipitation instead of M{sub 2}X, thus increasing the volume fraction of M{sub 23}C{sub 6}. Two-phase separation behavior of the (Ta, V)(C, N) carbonitride into a Ta(V)C(N) phase and a V(Ta)N(C) phase in 12Cr3WVTa steel is observed and further discussed. - Highlights: • Microalloyed with V and V-Ta can promote the precipitation of MX instead of M{sub 2}X. • The presence of delta-ferrite in microstructure affects the morphology of MX. • Two-phase separation of MX carbonitride was observed in 12Cr3WVTa steel.

Xiao, Xiang [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Liu, Guoquan, E-mail: g.liu@ustb.edu.cn [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China); State Key Laboratory for Advanced Metals and Materials, University of Science and Technology Beijing, Beijing 100083 (China); Hu, Benfu; Wang, Jinsan [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Ullah, Asad [School of Materials Science and Engineering, University of Science and Technology Beijing, Beijing 100083 (China); Department of Mathematics, Karakoram International University, Gilgit-Baltistan (Pakistan)

2013-08-15T23:59:59.000Z

285

Constraints on Resonant Dark Matter Annihilation  

E-Print Network [OSTI]

. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 11 3.1 Thermally averaged cross section for a pole below threshold (blue line on the bottom) and above threshold (red line on the top). Parameters used for the purpose of the graphics are mX = 300GeV , gXXY = 0.1, ?Y = 3GeV . The resonance below... threshold lies 30GeV below the threshold 2mX , while the above threshold case is just 30GeV above the threshold. Notice that in both cases ??v? ? a + b/x + ... is not a good approximation. . . . . . . . . . . . . . . . . . . . . . . . . . . . 25 3.2 Thermal...

Backovic, Mihailo

2011-07-04T23:59:59.000Z

286

Development of a weighted-average estimator from a maximum-likelihood estimator and an instrumental-variable estimator in a structural model  

E-Print Network [OSTI]

, is written as mx y Ab Sou 1hl zz mx x ? Ab?' S?? (3. 2) and we will now spend some time explaining its form. Write a = (1, ? P&) and assume an independent estimator of Z, S?, is avail- able. Fuller (1981) shows that maximizing the likelihood equations... ? z, + u? t = 1, 2, . . . , a?s' = 1, 2, 3, . . . , b? (2. 1c) The total number of observations, n, is equal to a?b?. The experimenter has available an instrumental variable for the unobservable ze =&a+sr&W, +re, t=1, 2, . . . , a?. (2. 1d...

Gruben, David Christopher

1987-01-01T23:59:59.000Z

287

A photoelastic investigation of the bending moment on a gear tooth due to a concentrated load  

E-Print Network [OSTI]

parallel to the X-Y plane was proportional to the stress CI on the X surface, or that ness, Mx, times the thickness of a slice, b, so that 12 Then M = M ~ b, or M M x ' x b 13 xmax 6M x h But since h = 1 in, for all models used in this research... AND LOADING . Material Mold . Casting Loading IV. ANALYSIS OF DATA r2 Orientation of Coordinate System. . . . . . . Determination of the Bending Moment, Mx, along the Fixed Edge Normal Stresses-Shear Difference Method . 12 12 l8 V. DISCUSSION...

Sun, Pu-Ning

1960-01-01T23:59:59.000Z

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

D.D. Sentman Geophysical Institute  

E-Print Network [OSTI]

clip) Camera 1: Starlight Xpress MX716 CCD Sony ICX249AL 752x580x8.6 m 16 bit samples, 2x2 binning 10s 6mm f/1.2 Recorder: Sony Digital Video Walkman miniDV recorder #12;GOES-8 IR4 (10-12m) weather

California at Berkeley, University of

290

CONTROL ORIENTATED SYNTHESIS OF ELECTROMAGNETIC SHUNT IMPEDANCES FOR  

E-Print Network [OSTI]

a mass-spring-damper as a mechanical filter. Active isolation control systems typically include to the terminals of an electromagnetic coil, the rela- tive mechanical velocity between the coil and magnet can xxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxxx mx dk y (a) (b) Fig. 2. Simple-mass-spring-damper isolation system: (a) unforced and (b) forced

Fleming, Andrew J.

291

8 7 7 3 2 4 5 1 6 -2 0 0 7 F A X : 5 7 2 -4 0 3 8  

E-Print Network [OSTI]

@mx.nthu. edu.tw ( ) 7. ( ) * http://infonet.et.nthu.edu.tw/bbs_p1.php?op=showC ontent&id=5875&sub1=Art/12 - 10/14 :WOS+JCR 10/19 : + 10/21 Conference Proceedings Citation Index + ESI 10/26 EBSCO Host 2.0-(BSC

Huang, Haimei

292

Secondary condenser Cooling water  

E-Print Network [OSTI]

Receiver Secondary condenser LC LC Reboiler TC PC Cooling water PC FCPC Condenser LC XC Throttling valve ¨ mx my l© ª y s § y m «¬ ly my wx l n® ® x np © ¯ Condenser Column Compressor Receiver Super-heater Decanter Secondary condenser Reboiler Throttling valve Expansion valve Cooling water

Skogestad, Sigurd

293

Bull Volcanol (1997) 58:441448 Q Springer-Verlag 1997 ORIGINAL PAPER  

E-Print Network [OSTI]

-temperature discharges, are the result of near-surface boiling of a brine composed of the al- most pure condensed.F., Mexico e-mail: taran6tonatiuh.igeofcu.unam.mx Abstract Volcanic gas and condensate samples were collected the 1991 eruption, and are suggested to be derived from partially condensed magmatic gases at shallow depth

Connor, Charles

294

*** Draft: do not cite or distribute -COP7 Bioenergy Document: October 18, 2001 *** Address Correspondence to  

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*** Draft: do not cite or distribute - COP7 Bioenergy Document: October 18, 2001 *** Address;*** Draft: do not cite or distribute - COP7 Bioenergy Document: October 18, 2001 *** 10/23/01 Page 2 of 111 omasera@ate.oikos.unam.mx #12;*** Draft: do not cite or distribute - COP7 Bioenergy Document: October 18

Kammen, Daniel M.

295

SEGUNDA SEMANA DE LA CIENCIA EN San Cristobal de las Casas, 1-7 julio del 2007  

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SEGUNDA SEMANA DE LA CIENCIA EN CHIAPAS San Cristobal de las Casas, 1-7 julio del 2007 CONVOCATORIA tecnológica El objetivo de la "semana de la ciencia" es acercar a los participantes al mundo de la. Bajar la solicitud de la página internet http://www.cimat.mx/ciencia_para_jovenes/SCC/07/ y enviarla por

Bor, Gil

296

Equivalence of Reconstruction from the Absolute Value of the Frame Coefficients to a Sparse  

E-Print Network [OSTI]

transformations we obtained the following result Theorem 1.1: Let M : RN /{+1, -1} RM be defined by M(x) = {| x *Corresponding Author: Radu Balan is with Siemens Corporate Re- search,755 College Road East, Princeton NJ 08540, radu.balan@siemens.com. Pete Casazza and Dan Edidin are with Department of Mathematics, University

Maryland at College Park, University of

297

JOURNAL DE PHYSIQUE Colloque C4, supplment au n 4, Tome 40, avnV 1979, page C4-194 CoU2S5 --magnetic structure and properties  

E-Print Network [OSTI]

that of the Hagg carbide Fe5C2 with the 3d- metal located in the octahedral site · of · C2Fe5. The uranium. 1. Introduction. -- The new compound CoU2S5 belongs to the series MX-(AX2),, (M = 3d-metal, A = 5f-metal

Boyer, Edmond

298

Evaluation of selected provenances of taxodium distichum for drought, alkalinity and salinity tolerance.  

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3 Maximum survivable drought period of thirteen open- pollinated families of Taxodium distichum ................................................... 48 4 Dendrogram generated by a hierarchical cluster analysis based on pre-dawn xylem water... of Taxodium distichum ................................................... 53 8 Rate of relative water content loss for three open-pollinated families of Taxodium distichum; Family EP8D, Family TX6D, and Family MX5M...

Denny, Geoffrey Carlile

2009-05-15T23:59:59.000Z

299

J. PHYS IV FRANCE 7 (1997) Colloque C2, Suppli5ment au Journal de Physique I11d'avril1997  

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13, 41, we found evidence for tetrahedralbond weakeningin these and other Mn-basedDMS alloys, which Studies of Diluted Magnetic SemiconductorsZnl-xMxS (M =Mn, CO) W.F. Pong, R.A. Mayanovic*, J.K. Kao, H structure -S) spectra of the Diluted Magnetic Semiconductors @MS) system Zn,&S (M=Mn,CO)have been measured

Boyer, Edmond

300

Dry friction between laser-patterned surfaces: Role of alignment, structural wavelength and  

E-Print Network [OSTI]

1 Dry friction between laser-patterned surfaces: Role of alignment, structural wavelength.gachot@mx.uni-saarland.de Abstract The ability to tune friction by tailoring surface topographies at micron length scales friction between laser-textured surfaces. Line-like laser patterns with varying structural wavelengths

Mueser, Martin

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301

A multi-objective approach to the design of low thrust space trajectories using optimal control  

E-Print Network [OSTI]

-IPN, Computer Science Department, Mexico City, Mexico, schuetze@cs.cinvestav.mx 1 #12;1 Introduction Over the last years dynamical system techniques have been developed for the design of energy was a solar-wind sample return mission between 2001 and 2004. The Hiten mission marked the first use of a weak

302

Primes Solutions Of Linear Diophantine Equations  

E-Print Network [OSTI]

Let k => 1, m => 1 be small fixed integers, gcd(k, m) = 1. This note develops some techniques for proving the existence of infinitely many primes solutions x = p, and y = q of the linear Diophantine equation y = mx + k.

N. A. Carella

2014-04-03T23:59:59.000Z

303

Stochastic dynamic systems fl T. Soderstrom, 1997  

E-Print Network [OSTI]

Stochastic dynamic systems Chapter 5 c fl T. S¨oderstr¨om, 1997 1 Optimal estimation ffl The conditional mean ffl Best linear estimate ffl ML estimation c fl T. S¨oderstr¨om, 1997 2 Optimal estimation criterion 2. Symmetric cond pdf c fl T. S¨oderstr¨om, 1997 3 Best linear estimate Given Ex = mx ; Ey = my E

Flener, Pierre

304

0195-928X/03/0300-0463/0 2003 Plenum Publishing Corporation International Journal of Thermophysics, Vol. 24, No. 2, March 2003 ( 2003)  

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for carrying out thermal characterizations in the liquid and the solid state [2­10]. Several photothermal of Thermophysics, Vol. 24, No. 2, March 2003 (© 2003) New Photopyroelectric Technique for Precise Measurements@acei.upibi.ipn.mx Received February 14, 2002 A new photopyroelectric methodology for thermal effusivity measurements

Mandelis, Andreas

305

Tsovaltzi, D., Weinberger, A., Scheuer, O., Dragon, T. & McLaren, B.M., (2012). Argument diagrams in Facebook: Facilitating the formation of scientifically sound opinions. In: A. Ra-  

E-Print Network [OSTI]

in Facebook: Facilitating the formation of scientifically sound opinions. In: A. Ra- venscroft, S. Lindstaedt in Facebook: Facilitating the Formation of Scientifically Sound Opinions Dimitra Tsovaltzi, Armin Weinberger Dimitra.tsovalzi@mx.uni-saarland.de Students use Facebook to organize their classroom experiences [1

McLaren, Bruce Martin

2012-01-01T23:59:59.000Z

306

The Architecture of Ant-Based Clustering to improve Topographic Mapping  

E-Print Network [OSTI]

behind ant-based clustering is that autonomous stochastic agents, called ants, move data objects on a low stochastic agents, called ants, that move input samples x X from m(x) to new location m (x). #12;Ants might. Probabilities for picking and dropping are computed using the average similarity x(i) between x X and input sam

307

Radiation based Marco Salerno  

E-Print Network [OSTI]

, biology (cells, bacteria, virus, colloidal particles, ...) · geology (crystals, ...) · material science · bacteria · Red blood cells #12;"Power" of a microscope · magnification (linear): A B = MxA · resolution invariance of k2= kx 2+ ky 2+ kz 2 kz 2 Sensitivity

Sandini, Giulio

308

Basis Functions for Estimating Intravoxel Structure Alonso Ramirez-Manzanares, Mariano Rivera, Baba C. Vemuri and Thomas Mareci  

E-Print Network [OSTI]

Matematicas A.C., Apdo. Postal 402, Guanajuato, Gto., 36000, Mexico. (telephone: (52) 473 73 271 55, alram. Postal 402, Guanajuato, Gto., 36000, Mexico. (telephone: (52) 473 73 271 55, mrivera@cimat.mx). B], [16]. The physical relationship of the water dif- fusion process for each image position r, in a given

Rivera, Mariano

309

Computing the Channel with Probabilistic Segmentation for Image Colorization  

E-Print Network [OSTI]

, Guanajuato, Gto. 36000 Mexico {dalmau,mrivera,mayorga}@cimat.mx Figure 1. Interactive colorization using, or a sequence of images, in regions with an assumed same color. Afterwards, it comes the process of assigning- phisticated methods in commercial processing software has become popular. In interactive colorization

Rivera, Mariano

310

Robust phase demodulation of interferograms with open or closed fringes  

E-Print Network [OSTI]

Investigacion en Matematicas A.C., Apdo. Postal 402, Guanajuato, Gto. Mexico 36000 mrivera@cimat.mx We present in the analysis of fringe patterns is the processing of closed fringe patterns. This problem has captured if the processed fringe pattern has a wide band, it is not normalized and it is corrupted by noise. In this paper

Rivera, Mariano

311

BASIS FUNCTIONS FOR ESTIMATING INTRA-VOXEL STRUCTURE IN DW-MRI  

E-Print Network [OSTI]

, Gto., 36000, Mexico. (telephone: (52) 473 73 271 55, alram@cimat.mx). M. Rivera is with the Computer Science Department, Centro de Investigacion en Matematicas A.C., Apdo. Postal 402, Guanajuato, Gto., 36000 process for each image position r, in a given orientation, was established by the Stejskal­Tanner [17

Rivera, Mariano

312

Spatial Sampling for Image Segmentation  

E-Print Network [OSTI]

AND ALONSO RAMIREZ­MANZANARES3 1 Centro de Investigacion en Matematicas A.C, Guanajuato GTO 36000, Mexico 2 Matematicas, Guanajuato GTO 36000, Mexico Email: mrivera@cimat.mx We present a novel framework for image­ processing in order to obtain a desired solution. On the other hand, the image segmentation is commonly

Rivera, Mariano

313

Bayesian time-varying autoregressions: Theory, methods and applications  

E-Print Network [OSTI]

signal processing and communications, and highlight some of the central developments via examples arising Investigaci#19;on en Matem#19;aticas, Apartado 402, Guanajuato, Gto., M#19;exico. E-mail: ghuerta@cimat.mx z, such priors characterising the number and structure of latent underlying components in AR processes. The basic

West, Mike

314

About the Limiting Behaviour of Iterated Robust Morphological Operators  

E-Print Network [OSTI]

Guanajuato, Gto., Mexico horebeek@cimat.mx 2 Freie Universitat Berlin, Institut fur Informatik Tacostr. 9 of morphological operators. To this purpose, we describe the implied iterative process by a discrete dynamical morphology is an important branch of non-linear signal process- ing. It has its roots in discrete geometry

Van Horebeek, Johan

315

for K and using a multistage structure, we can design an MP syn-thesis filter of very high order. Not only lowpass, but also high-  

E-Print Network [OSTI]

. Terndlogico Esq. Garcia Cubas, Celaya, Gto. Mixico) E-mail: Jdiaz@inaoep.mx 2 September 1997 References KALE reduction', IEEE Trans. Signal Processing, 1992, 40, (3), pp. 532- 542 SREERAM,v.,and AGATHOKLIS, P.: `Design of linear-phase IIR filters via impulse response grammians', IEEE Trans. Signal Processing, 1992

Plataniotis, Konstantinos N.

316

Adaptive Control Schemes Based on Recurrent Trainable Neural Networks  

E-Print Network [OSTI]

-Mail: baruch@ctrl.cinvestav.mx 2 Institute of Information Technologies, 1113 Sofia Abstract: The aim, according to the structure of the plant model. For example, N a r e n d r a and P a r t h a s a r a t h y non-linear plants. They considered four plant models with a given structure and supposed

Borissova, Daniela

317

Semiparametric functional data analysis for longitudinal/clustered data: theory and application  

E-Print Network [OSTI]

)?(I -S)TV-1 e} = E{E(e|T)TV-1(I -S)?(I -S)TV-1E(e|T)} +E[tr{V-1(I -S)?(I -S)TV-1cov(e|T)}]. (A.2) Note that E(ei|Ti) = E{Xi -mX (Ti)|Ti} = 0, (A.3) cov(ei|Ti) = cov{Xi -mX(Ti)|Ti} = cov(Xi|Ti). 19 Therefore, the first term in (A.2) is 0, and the second...) In the first term of (A.4), with probability 1, 1 nX TV-1(I -S)X arrowrightE[XTi V-1 i {Xi -mX (Ti)}] 20 where E[XTi V-1i {Xi -mX (Ti)}] = E[{Xi -mX (Ti)}TV-1i {Xi -mX(Ti)}] = E(eTi V-1i ei). In the second term of (A.4), 1 nX TV-1(I -S)(theta(T)+epsilon) = 1 n...

Hu, Zonghui

2006-04-12T23:59:59.000Z

318

Abstract Given accelerating trends of deforestation and human population growth, immediate and innovative solutions to conserve biodiversity are sorely needed.  

E-Print Network [OSTI]

.O. Box 967, Fort Portal, Uganda e-mail: twino04@yahoo.com R. Reyna-Hurtado Investigador Titular A, ECOSUR-Campeche, Avenida Rancho s/n, Poligono 2, Lerma, Campeche 24500El, Mexico e-mail: rreyna@ecosur.mx J.M. Rothman

Rothman, Jessica M.

319

503L.K. Marsh and C.A. Chapman (eds.), Primates in Fragments: Complexity and Resilience, Developments in Primatology: Progress and Prospects,  

E-Print Network [OSTI]

@brookes.ac.uk R. Reyna-Hurtado Investigador Titular A, ECOSUR-Campeche, Avenida Rancho s/n, Poligono 2, Lerma, Campeche, Campeche 24500El, Mexico e-mail: rreyna@ecosur.mx J.C. Serio-Silva Red de Biología y Conservación

Arroyo Rodríguez, Víctor

320

1220 IEEE TRANSACTIONS ON POWER SYSTEMS, VOL. 18, NO. 3, AUGUST 2003 [2] L. L. Lai, J. T. Ma, R. Yokoyama, and M. Zhao, "Improved genetic al-  

E-Print Network [OSTI]

and contingent op- eration states," Elect. Power Energy Syst., vol. 19, no. 5, pp. 287­292, 1997. [3] Z Informatica Avanzada, Technical Rep., www.lania.mx/~coello/techre- ports/constraintreport.ps.gz, 1999. [5] J of the mathematical mechanical model and the electrical equivalent circuit models of the wind energy conver- sion

Catholic University of Chile (Universidad Católica de Chile)

Note: This page contains sample records for the topic "macromolecular crystallography mx" from the National Library of EnergyBeta (NLEBeta).
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to obtain the most current and comprehensive results.


321

Disproof of the Mertens Conjecture A. M. Odlyzko  

E-Print Network [OSTI]

Amsterdam The Netherlands ABSTRACT The Mertens conjecture states that M(x) 1, where M 413 1098 SJ Amsterdam The Netherlands 1. Introduction Let µ(n) denote the Mo .. bius function, so]) and it led Mertens to publish in 1897 a paper [27] with a 50-page table of µ(n) and M(n) for n = 1

Mays, Michael

322

Learner's Workbook 20072010 CareFusion Corporation or one of its subsidiaries. All rights reserved.  

E-Print Network [OSTI]

This course will provide you with the knowledge to operate the Alaris® System infusion and monitoring modules. The Guardrails® Suite MX acts as a second check to alert you when an infusion is programmed to be delivered outside these limits, thus helping to prevent an IV administration error before an infusion begins. If you

Oliver, Douglas L.

323

ccsd00001953, A comparative analysis of the electron energy  

E-Print Network [OSTI]

-1027, 11801 M#19;exico D. F., MEXICO E-mail: cgt@nuclear.inin.mx Abstract. To establish the electron energyccsd­00001953, version 1 ­ 22 Oct 2004 A comparative analysis of the electron energy distribution place in ECR plasma sources, where low pressure plasma is sustained by electron impact ionization

324

Reconstruc~ao Paralelizada de Dados de Resson^ancia Magnetica de Fluxo em Processadores Multi-nucleo  

E-Print Network [OSTI]

multidimensionais: m(x, y, z, v, t) RF Gz Gx Gy a b c d Sequ^encia de pulso FVE espiral [1] Reconstru¸c~ao: NUFFT [3/corte (256 batimentos card´iacos a 105 bpm) 120 -120 0 0 500 velocidade(cm/s) tempo (ms) 120 -120 0 0 500 120

Carvalho, João Luiz

325

SECCIN DE MECATRNICA Personal acadmico y temas de investigacin  

E-Print Network [OSTI]

. fruiz@mail.cinvestav.mx Gerardo Silva Navarro. Investigador Titular. Doctor en Ciencias (1994) Cinvestav anfitriones: CIE, Dr. Hebertt Sira-Ramírez y Dr. Gerardo Silva Navarro. Fuente de financiamiento: primera 23 de noviembre de 2003. Investigadores anfitriones: Dr. Sira-Ramírez y Gerardo Silva Navarro. Fuente

326

AHEC MEXICO / LATIN AMERICA MARKET REPORT August -September, 2004  

E-Print Network [OSTI]

AHEC MEXICO / LATIN AMERICA MARKET REPORT August - September, 2004 AMERICAN HARDWOOD EXPORT COUNCIL US Agricultural Trade Office Jaime Balmes No.8, Piso 2 Col. Los Morales Polanco 11510 Mexico, D.F., Mexico TEL: +(52) 55 5282-0909 FAX: +(52) 55 5282-0919 e-mail: ahecmx@infosel.net.mx 1 #12;AHEC Mexico

327

Lasers Cleaning of Patrimonial Plasters E. Tanguy", N. Huet+, and A. Vinotte''  

E-Print Network [OSTI]

Lasers Cleaning of Patrimonial Plasters E. Tanguy", N. Huet+, and A. Vinçotte'' 1 University as solution for the cleaningof ceramics and the plasters. Indeed in museums, these materials are often covered on plaster and with the effects on its morphologyand its crystallography. Plaster is an interesting material

Paris-Sud XI, Université de

328

J. Raman Spectroscopy 35 (2004) 843-846. Red deposit (cinnabar) is  

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of Physical Chemistry, University of Belgrade, P.O. Box 550, 11001 Belgrade, Serbia and Montenegro 2, Cara Urosa 20, 11001 Belgrade, Serbia and Montenegro 4 Faculty of Mining and Geology, Department for Crystallography, University of Belgrade, usina 7, 11001, Belgrade, Serbia and Montenegro Abstract The prehistoric

Paris-Sud XI, Université de

329

Protein Science (1992), I , 322-328. Cambridge University Press. Printed in the USA. Copyright 0 1992 The Protein Society  

E-Print Network [OSTI]

of Crystallography, Birkbeck College, Malet Street, 'Department of Medicinal Chemistry, Pfizer Inc., Central Research-(R)(statine-like) hydroxyl of the tetrahedral carbonyl hydrateis hydrogen-bonded to bothactive-site aspartates 32 and 215 in the position occupiedby a wa- ter in the native enzyme. The second hydroxyloxygen of the hydrateis hydrogen

Sali, Andrej

330

456th Brookhaven Lecture  

ScienceCinema (OSTI)

Orville presents ?Getting More From Less: Correlated Single-Crystal Spectroscopy and X-ray Crystallography at the NSLS? in which he discusses how researchers can use many different tools and techniques to study atomic structure and electronic structure to provide insights into chemistry.

Allen Orville

2010-09-01T23:59:59.000Z

331

Refinement in cases of Twinning Lothar Esser  

E-Print Network [OSTI]

Refinement in cases of Twinning Lothar Esser National Cancer Institute Despite working in crystallography for a number of years, it was only recently that I was asked to refine a structure against twinned was twinned using a model of > 99% sequence identity. As the refinement did not progress as it should

332

NEBRASKA CENTER FOR MATERIALS AND NANOSCIENCE 2012 SEMINAR SERIES PRESENTS  

E-Print Network [OSTI]

stand in the way, and key among these, the interaction between graphene and its host substrate. Our work substrates, the affect of substrate chemistry and crystallography on the fundamental electronic properties notably, epitaxial graphene and electrode materials for lithium-ion batteries. He received his Ph.D. from

Farritor, Shane

333

research papers 388 doi:10.1107/S0907444912048664 Acta Cryst. (2013). D69, 388397  

E-Print Network [OSTI]

, Uruguay, b Unit of Protein Crystallography, Institut Pasteur de Montevideo, 11400 Montevideo, Uruguay, c Unit of Protein Biophysics, Institut Pasteur de Montevideo, 11400 Montevideo, Uruguay, d Department of Immunobiology, Universidad de la Republica, 11800 Montevideo, Uruguay, and e Department of Structural Biology

Paris-Sud XI, Université de

334

New Designs of Rigid Pincer Complexes with PXP Ligands and Late Transition Metals and sp3 C-F Bond Activation with Silylium and Alumenium Species  

E-Print Network [OSTI]

. In Chapter V, a series of (TPB)M complexes (M = Ni, Pd, Pt) were synthesized and characterized by multinuclear NMR spectroscopy and X-ray crystallography. The resulting metal complexes displayed strong dative M?B interaction and unusual tetrahedral geometry...

Gu, Weixing

2012-02-14T23:59:59.000Z

335

Efficiency of the focusing channel of the Belok Station in the Sibir-2 storage ring  

SciTech Connect (OSTI)

The efficiency of the focusing systems of the Belok station on the synchrotron radiation beam from the bending magnet in the Sibir-2 storage ring has been experimentally determined using the IK-12 and IK-30 miniature ionization chambers developed at the Shubnikov Institute of Crystallography and calibrated with an FDUK-100UV photodiode developed at the Ioffe Physical Technical Institute.

Molodenskii, D. S. [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation); Dorovatovskii, P. V. [Russian Research Center, Kurchatov Institute (Russian Federation); Zabrodskii, V. V. [Russian Academy of Sciences, Ioffe Physical Technical Institute (Russian Federation); Kheiker, D. M., E-mail: kheiker@ns.crys.ras.ru [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)

2010-09-15T23:59:59.000Z

336

Reflectivity and electronic structures of Ni-silicides A. Humbert and A. Cros  

E-Print Network [OSTI]

.65 - 71.20 Metal silicides have interesting applications in devices technologies [1]. Considerable impetus is that the metal silicides have well defined stoichiometry and crystallography, so that the influence of Si incorporation in the metal matrix can be precisely monitored. Moreover the increased applications of silicide

Paris-Sud XI, Université de

337

Introduction `a l'optimisation numerique Jer^ome Malick jerome.malick@imag.fr  

E-Print Network [OSTI]

that minimize the associated potential energy. Let N be the number of atoms and call xi R3 the spatial position pratique lors de TPs sur machines. Ce document se d´ecoupe naturellement en 2 parties mettant en avant les. Various techniques are possible (X-ray crystallography, nuclear magnetic resonance,.. . ). We detail one

338

research papers 392 doi:10.1107/S0907444906001612 Acta Cryst. (2006). D62, 392397  

E-Print Network [OSTI]

Crystallographica Section D Biological Crystallography ISSN 0907-4449 Third calcium ion found in an inhibitor-methoxybenzoic acid (anisic acid), is reported. Residues 60­70 (the surface-loop residues) are ordered and adopt conformations which are different from those normally found in structures in which a second calcium ion

Tsai, Ming-Daw

339

Controlled binding and assembly of peptides onto inorganic substrates is at the core of bionanotechnology and biological-materials engineering. Peptides offer several  

E-Print Network [OSTI]

inorganic surfaces that are distinguishable by shape, crystallography, mineralogy, and chemistry. Second and theoretical approaches and concepts that will help advance this emerging field. Molecular Design of Inorganic-inorganic materials is dependent upon our understanding of the molecular factors that govern sequence

Samudrala, Ram

340

Crystallographic Characteristics of Grain Boundaries in Dense Yttria-Stabilized Zirconia  

E-Print Network [OSTI]

polycrystalline yttria-stabilized zirconia, to understand interfacial crystallography in solid oxide fuel cells correlated to the boundary energy distribution. Introduction Solid oxide fuel cells (SOFCs) are attractive The performance of a SOFC is coupled strongly to microstructural features, which have now been nearly optimized

Rohrer, Gregory S.

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,
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We encourage you to perform a real-time search of NLEBeta
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341

RECENT PROGRESS AND APPLICATIONS IN GROUP FFTS  

E-Print Network [OSTI]

03755 rockmore@cs.dartmouth,edu Abstract The Cooley-Tukey FFT can be interpreted as an algorithm in the service of crystallography but surely most famously, by Cooley and Tukey [12] in the mid 1960s, this time]. The technical motivations for Cooley and Tukey's rediscovery were (1) The efficient computation of the power

Rockmore, Dan

342

Solid-State 25Mg NMR of a Magnesium(II) Adensosine 5-Triphosphate Complex  

E-Print Network [OSTI]

Solid-State 25Mg NMR of a Magnesium(II) Adensosine 5-Triphosphate Complex Christopher V. Grant interacting with RNA, such as magnesium- (II) binding sites within ribozymes, has become a topic of intense such as magnesium(II). X-ray crystallography has been most useful at providing structural information about

Frydman, Lucio

343

Synthesis and structure of perfluorocongressane  

SciTech Connect (OSTI)

The direct fluorination of inorganic, organometallic and organic compounds, employing the LaMar method, has impacted the synthesis of structurally unusual fluorinated compounds over the past 25 years. Perfluorocongressane was synthesized using elemental fluorine and characterized by mass spectra, {sup 19}F NMR, and X-ray crystallography. 1 fig., 1 tab.

Wei, Han-Chao; Corbelin, S.; Lagow, R.J. [Univ. of Texas, Austin, TX (United States)] [Univ. of Texas, Austin, TX (United States)

1996-03-08T23:59:59.000Z

344

Unique opportunities for NMR methods in structural genomics Gaetano T. Montelione Cheryl Arrowsmith  

E-Print Network [OSTI]

Unique opportunities for NMR methods in structural genomics Gaetano T. Montelione � Cheryl of structural genomics Á Functional genomics Á NMR Á Crystallography Á NMR methods Á Protein Structure contribu- tions of structural genomics (SG) for biomedical research, we envision many future opportunities

Powers, Robert

345

Nickel(II) and copper(II) complexes with pyridine-containing macrocycles bearing an aminopropyl pendant arm: synthesis,  

E-Print Network [OSTI]

Nickel(II) and copper(II) complexes with pyridine-containing macrocycles bearing an aminopropyl that were used for the preparation of the copper(II) complexes. The structures of three nickel(II) complexes and two copper(II) complexes were determined by X-ray crystallography. Protonation of the pendant arm (p

Nazarenko, Alexander

346

CHEMISTRY 1 Faculty of Natural Sciences, Department of  

E-Print Network [OSTI]

CHEMISTRY 1 Faculty of Natural Sciences, Department of --Chemistry This publication refers.imperial.ac.uk/pgprospectus. Chemistry Interests in chemistry at Imperial College cover physical, organic, inorganic, analytical, polymer and biological chemistry and chemical crystallography, as well as intersectional and medical topics

347

BioMed Central Page 1 of 10  

E-Print Network [OSTI]

Crystallography Laboratory, National Cancer Institute at Frederick, Frederick, MD 21702, USA, 2Laboratory of Experimental and Computational Biology, National Cancer Institute, Bethesda, MD 20892, USA, 3Basic Research Program, SAIC-Frederick, Inc., National Cancer Institute at Frederick, Frederick, MD 21702, USA, 4

348

J. Biochem. 138, 127134 (2005) DOI: 10.1093/jb/mvi110  

E-Print Network [OSTI]

Crystallography Laboratory, National Cancer Institute, Frederick, Maryland 21702-1201, USA Received March 8, 2005, in cooperation with cathepsins, useless proteins in the lysosomal compartment. Key words: classical late-infantile neurodegeneration (seizures, ataxia, and psychomotor deterioration), and premature death (2). Classical late-infantile

349

NEWS & VIEWS X-RaY oPtiCS  

E-Print Network [OSTI]

NEWS & VIEWS X-RaY oPtiCS Clarity through a keyhole Janos Hajdu1,2 & Filipe R. n. C. maia2 are at 1 Stanford Synchrotron Radiation Laboratory, Stanford Linear Accelerator Center, 2575 Sand Hill Road, Menlo, as it does in conventional crystallography, but only on the wavelength used, the extent of ionization damage

Loss, Daniel

350

electronic reprint Acta Crystallographica Section D  

E-Print Network [OSTI]

electronic reprint Acta Crystallographica Section D Biological Crystallography ISSN 0907 is retained. Republication of this article or its storage in electronic databases or the like is not permitted of hidden Markov models electronic reprint #12;research papers 1898 Gough SUPERFAMILY database Acta Cryst

Gough, Julian

351

Cell Recognition and Entry by Rhino-and Enteroviruses Michael G. Rossmann,*,1  

E-Print Network [OSTI]

Unlike plant viruses, most mammalian, insect, and bacterial viruses attach to specific cellular receptors. Subsequently, different viruses evolved that were progressively more efficient at recog- nizing particular-resolution structures have been determined for a variety of HRV and PV serotypes by means of X-ray crystallography

Baker, Timothy S.

352

Advanced Biotechnology and Medicine  

E-Print Network [OSTI]

Vikas Nanda 63 Protein Crystallography Ann Stock 67 Education, Training and Technology Transfer 71 Report An Advanced Technology Center of the New Jersey Commission on Science and Technology Jointly, the CIPR will house the Rutgers-based Protein Data Bank (PDB), an international repository directed

353

Hydrogen bond dynamics in the active site of photoactive yellow protein  

E-Print Network [OSTI]

Hydrogen bond dynamics in the active site of photoactive yellow protein Paul A. Sigala, Mark A for review February 5, 2009) Hydrogen bonds play major roles in biological structure and function. Nonetheless, hydrogen-bonded protons are not typically observed by X-ray crystallography, and most structural

Herschlag, Dan

354

Sparsely populated folding intermediates of the Fyn SH3 domain: Matching native-centric essential  

E-Print Network [OSTI]

the important contributions that computational methods can make in providing insights into protein folding. Understanding protein folding at the atomic level is a critical but elusive goal in structural biology. A protein's folded state can often be studied by x-ray crystallography or NMR spectroscopy, and recent

Chan, Hue Sun

355

BE 526/726: Fundamentals of Biomaterials Course Syllabus Fall 2013  

E-Print Network [OSTI]

-534-55396-6) Any Organic Chemistry Text book You will be responsible for reading in the textbook to keep up/727) is to teach the chemistry and engineering skills needed to solve challenges in the biomaterials and tissue engineering area. This two-semester course is divided into four sections ­ macromolecular chemistry & material

Vajda, Sandor

356

2010 MRL PUBLICATIONS a. Primary MRSEC Support  

E-Print Network [OSTI]

.J. Kramer, "Phase behavior of complementary multiply hydrogen bonded end-functional polymer blends coatings on titanium," Biomaterials 31, 1080 (2010) D.S. Hwang, H. Zeng, A. Masic, M.J. Harrington, J. Kausik, A. Pavlova, J. Hunt, S. Han, "Probing hydration water diffusion of macromolecular surfaces

Bigelow, Stephen

357

Direct Refinement against ProtonProton Dipolar Couplings in NMR Structure Determination of Macromolecules  

E-Print Network [OSTI]

Direct Refinement against Proton­Proton Dipolar Couplings in NMR Structure Determination in macromolecular structure refinement are pre- sented. Potentials are described for direct refinement against 1 H­1 dipolar coupling refinement is illustrated using the small protein ubiquitin. It is shown that direct 1 H

Clore, G. Marius

358

1 Nanyang Technological University (NTU), Polymeric Biomaterials Laboratory 2 Ecole Polytechnique Fdrale de Lausanne (EPFL), Laboratoire de Technologie des Composites et Polymres  

E-Print Network [OSTI]

network (sIPN) or an interpenetrating networks (IPN). Hyaluronic acid will be incorporated into a PEG polymers for network synthesis, due to its biocompatibility, ease of photo-polymerisation and tailoring synthetic crosslinks. The synthesis of such a macromolecular network in the form of a hydrogel has

Dalang, Robert C.

359

Bradley S. Lokitz Nanomaterials Synthesis and Functional Assembly  

E-Print Network [OSTI]

Materials Sciences Division Oak Ridge National Laboratory (865) 574-9573 lokitzbs@ornl.gov Publications Materials Sciences, Macromolecular Nanomaterials Group, Oak Ridge National Laboratory, Oak Ridge, TN 2009, Oak Ridge National Laboratory, Oak Ridge, TN, Mentor: S. Michael Kilbey, II Research Emphasis

Pennycook, Steve

360

Growth of anuran oocytes in serum-supplemented medium R. A. WALLACE, Ziva MISULOVIN, H. S. WILEY  

E-Print Network [OSTI]

vitellogenin, the macromolecular precursor to yolk proteins. No serum supplement was used, since we found- venient for some who lack the appropriate facilities. Furthermore, most workers will probably not require of development. X. laevis were kept at 20°C in running, dechlorinated water and fed a diet of chopped beef heart

Boyer, Edmond

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

Design, Synthesis, and Characterization of Bent-Core Mesogen-Jacketed Liquid Crystalline Polymers  

E-Print Network [OSTI]

Xiaofang Chen,, Kishore K. Tenneti, Christopher Y. Li,*, Yaowen Bai, Rong Zhou, Xinhua Wan, Xinghe Fan compared to their random coil counterparts. Macromolecular chain rigidity can be induced by helical chain et al.2,3 In this system, mesogenic units are laterally attached to the backbone. As evidenced

Wan, Xin-hua

362

www.lhp-bayreuth.de LOCATION CONTACT  

E-Print Network [OSTI]

to lower the costs for solar panels which asks for novel concepts to harvest sunlight. With the invention", the "Bayreuth Institute of Macromolecular Research", and the DFG Research Training Unit "GRK 1640". By plane, it becomes clear that solar energy conversion provides a sustainable, environmental clean, long-term solution

Schmidt, Matthias

363

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

364

Cornell University, Office of Sponsored Programs Awards Received in June 2012  

E-Print Network [OSTI]

D Microbiology and Immunology DHHS (NIH-NIH NIAID) NUCLEOCAPSID ENVELOPMENT HERPES SIMPLEX VIRUS-1 Microbiology and Immunology DHHS (NIH-NIH NIAID) THE ROLE OF CD73 IN TOXOPLASMA GONDII PATHOGENESIS $38,713 BMT Synchrotron Source DHHS (NIH-NIH NIGMS) MACROMOLECULAR DIFFRACTION RESOURCE: MACCHESS $1,724,082 BMT 53210

Manning, Sturt

365

Introduction to Phenix  

SciTech Connect (OSTI)

PHENIX is a software package that automates nearly all aspects of macromolecular structure determination. This talk will describe the main features of PHENIX, including automated structure solution by MIR, MAD and SAD methods, refinement, molecular replacement, and validation. The PHENIX GUI and command line interfaces will be described as well.

Terwilliger, Thomas C. [Los Alamos National Laboratory

2012-06-04T23:59:59.000Z

366

1. Awarding Institution/Body Imperial College London 2. Teaching Institution Imperial College London  

E-Print Network [OSTI]

in the following areas. ` Knowledge and understanding A. Knowledge and understanding of: 1. Key topics in Genomics and Bioinformatics, including genome mapping, sequence analysis, transcriptomics, host/pathogen genomics, use of DNA/protein databases, functional and comparative genomics, phylogenetic analysis. 2. Key topics in Macromolecular

367

CHARACTERIZATION OF THE STRUCTURE, FUNCTION, AND PROTEIN-PROTEIN INTERACTIONS INVOLVED IN THE ASSEMBLY OF THE TYPE III SECRETION SYSTEM TIP COMPLEX AND THE TRANSLOCON OF SALMONELLA AND SHIGELLA  

E-Print Network [OSTI]

The type III secretion system (T3SS) is a macromolecular structure assembled by many Gram-negative bacteria in order to invade target host cells. A functional T3SS contains a syringe-like structural component known as the ...

Chatterjee, Srirupa

2013-08-31T23:59:59.000Z

368

Science Progress (2001), 84 (1), 4568 Use of EPR spectroscopy to  

E-Print Network [OSTI]

Science Progress (2001), 84 (1), 45­68 Use of EPR spectroscopy to study macromolecular structure (EPR) spectroscopy is now part of the armory available to probe the structural aspects of proteins to a macromolecule is influenced by its microenviron- ment, analysis of the EPR spectra of site

Gopalan, Venkat

369

Automation for Cryo-TEM: From Specimen Grid to 3D  

E-Print Network [OSTI]

Automation for Cryo-TEM: From Specimen Grid to 3D Map B. Carragher, D. Fellmann, N. Kisseberth, R://www.itg.uiuc.edu #12;AUTOMATION FOR CRYO-TEM: FROM SPECIMEN GRID TO 3D MAP B. Carragher, D. Fellmann, N. Kisseberth, R map of a macromolecular structure automatically and within hours of inserting a specimen

370

A 9 A single particle reconstruction from CCD captured images on a 200 kV electron cryomicroscope  

E-Print Network [OSTI]

-nanometer resolution. Ã? 2004 Elsevier Inc. All rights reserved. Keywords: CCD; Electron cryomicroscopy; Cryo-EM, Houston, TX 77030, USA b National Center for Macromolecular Imaging, Verna and Marrs McLean Department of Biochemistry and Molecular biology, Baylor College of Medicine, Houston, TX 77030, USA c Department

Jiang, Wen

371

CHEM 4170, Medicinal Chemistry University of Missouri  

E-Print Network [OSTI]

CHEM 4170, Medicinal Chemistry University of Missouri Computer Graphics Visualization of Proteins "pockets" or "clefts" on the surface of their macromolecular targets. A favorable free energy of binding the best way to visualize these structures is using computer graphics. In this assignment, we will use

Gates, Kent. S.

372

2002 Macmillan Magazines Ltd letters to nature  

E-Print Network [OSTI]

mechanics, normal mode analysis, molecular dynamics and free energy calculations to simulate the structuralÃ?thrich, K. MOLMOL: A program for display and analysis of macromolecular structures. J. Mol. Graphics 14, 51 thank M. Allen for technical help and M. Pique for help with computer graphics. This work was supported

Rossmann, Michael G.

373

A New Chemoinformatics-Based Approach to Protein Docking: Fourier Correlation of PCA-Selected Probe Potentials  

E-Print Network [OSTI]

of the principal difficulties in computational macromolecular docking is in devising a reliable energy by a docking search. However, there is no direct way to infer which of the several types of intermolecular Component Analysis (PCA) of Molecular Interaction Fields (MIFs) to help select the most significant types

Ritchie, Dave

374

J.PHYS. IVFRANCE 7 ( 1997) Colloque C2, Suppldment au Journal de Physique I11 d'avril 1997  

E-Print Network [OSTI]

The Chemical Nature of Oxidized Sulphur in Asphaltenes from X-Ray Absorption Spectroscopy M. Kasrai, G the macromolecular fraction [2]. Asphaltene (macromolecules)extractedfrombitumens, dependingonthe location) of asphaltene,quoted in Table 1are reliable geneticparameterswhich are not affectedby secondaryalteration

Paris-Sud XI, Université de

375

Numerical Optimization Algorithms and Software for Systems Biology  

SciTech Connect (OSTI)

The basic aims of this work are: to develop reliable algorithms for solving optimization problems involving large stoi- chiometric matrices; to investigate cyclic dependency between metabolic and macromolecular biosynthetic networks; and to quantify the significance of thermodynamic constraints on prokaryotic metabolism.

Saunders, Michael

2013-02-02T23:59:59.000Z

376

Operator Ideals in Lipschitz and Operator Spaces Categories  

E-Print Network [OSTI]

) = outdegree(y0) and indegree(y0) = 0. Therefore, m = X (x;y)2E m(y) (y) m(x) (x) myx (2.3.1) 20 and thus kmk X (x;y)2E m(y) (y) m(x) (x) d(y; x) = kj(m)k‘1(E;G) : Now, consider x; y 2 X. Let n = d(x; y) and fx = z0... results similar to those in the linear case. We follow closely the presentation of [Rya02, Sec. 2.1] Let us start with what could be called \\projective tensor products of operators". Compare to [Rya02, Prop. 2.3]. Proposition 2.3.6. Let S : X ! Z be a...

Chavez Dominguez, Javier

2012-10-19T23:59:59.000Z

377

Efficient Semiparametric Estimators for Biological, Genetic, and Measurement Error Applications  

E-Print Network [OSTI]

) as pW,Y,Z(w, y, z; ?, ?1, ?2, ?3) which equals ? pW |X,Z(w|x, z)?1(x, z)?2{y ? m(x, z; ?), x, z}?3(z)dx, (2.1) where ? is the finite p-dimensional parameter of interest, ?1(x, z) ? pX|Z(x|z), ?2(#15;, x, z) ? p#15;|X,Z(#15;|x, z), and ?3(z) ? pZ(z...) are infinite dimensional nuisance parameters. Doing so, we see that pW,Y,Z , the RMM with measurement error, is tightly linked to the RMM without measurement error with probability density expressed as pX,Y,Z ? ?1(x, z)?2{y ? m(x, z; ?), x, z}?3(z). The lack...

Garcia, Tanya

2012-10-19T23:59:59.000Z

378

Intern experience at Teledyne Brown Engineering: an internship report  

E-Print Network [OSTI]

-Value Attack and Defense Effectiveness Model MX Missile X NASA National Aeronautics and Space Agency OPUS Optimal Preferential Utilities and Strategies Program OR Operations Research O&S Operations and Support PBV Post Boost Vehicle P.E. Professional... under decentralized management and strong local autonomy. In addition to its main facilities in Huntsville's Cummings Research Park, Teledyne Brown Engineering has branch operations at the Huntsville-Madison County Airport and in California, Colorado...

Hammond, Walter Edward, 1947-

2013-03-13T23:59:59.000Z

379

Why Cogeneration Development Projects Fail  

E-Print Network [OSTI]

WHY CXXlENERATION DEVElDHmNT PROJECTS FAIL RALPH w. GRBBtMX>D Regional Manager Bbasco Services Incorporated Houston, Texas ABSTRACT Cogeneration projects that are organized by developers fail to reach fruition for reasons other than... the basic economical or technical sotmdness of the opportunity. Cogeneration developnent projects fail because of misunderstanding?by the host or other participants of their obligations, inadequate management support by the host organization, regulatory...

Greenwood, R. W.

380

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

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

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

382

CURRICULUM VITAE Carlos Artemio Coello Coello  

E-Print Network [OSTI]

://delta.cs.cinvestav.mx/~ccoello Educaci´on PROFESIONAL : Facultad de Ingenier´ia Civil Universidad Aut´onoma de Chiapas 1985-1990 Tesis de C´omputo, Facultad de Ingenier´ia Civil, Universidad Aut´onoma de Chiapas, Tuxtla Guti´on", Facultad de Ingenier´ia Civil, Universidad Aut´onoma de Chiapas, Tuxtla Guti´errez, Chiapas, mayo a agosto

383

Helminth Parasites of Freshwater Fishes of the Pnuco River Basin, East Central Mexico  

E-Print Network [OSTI]

Helminth Parasites of Freshwater Fishes of the Pµnuco River Basin, East Central Mexico GUILLERMO Biologi´a, Universidad Nacional Auto´noma de Me´xico, Apartado Postal 70-153, CP 04510, Me´xico D. F., Mexico (e-mail: gsalgado@mail.ibiologia.unam.mx), 2 Laboratorio de Ictiologi´a y Limnologi´a, Escuela

Mercado-Silva, Norman

384

DEPARTAMENTO DE ECOLOGA HUMANA  

E-Print Network [OSTI]

investigación: Uso social de los recursos hídricos. Evaluación del impacto ambiental de las actividades humanas a la problemática ecológica-ambiental, al manejo de recursos natu- rales y al desarrollo rural. emaddox humano, sistemas socioculturales y ambiente biótico y abiótico. dickinso@mda.cinvestav.mx Betty B. Faust

385

DEPARTAMENTO DE ECOLOGA HUMANA  

E-Print Network [OSTI]

investigación: Uso social de los recursos hídricos. Evaluación del impacto ambiental de las actividades humanas a la problemática ecológica-ambiental, al manejo de recursos natu- rales y al desarrollo rural. emaddox socioculturales y ambiente biótico y abiótico. dickinso@mda.cinvestav.mx Betty B. Faust Wammack. Investigadora

386

DEPARTAMENTO DE ECOLOGA HUMANA  

E-Print Network [OSTI]

bienestar humano, sistemas socioculturales y ambiente biótico y abiótico; ecología humana de la migración Habana, Cuba. Temas de investigación: Uso social de los recursos hídricos. Evaluación del impacto ambiental de las actividades humanas. batllori@mda.cinvestav.mx Eric John Castañares Maddox. Investigador

387

DEPARTAMENTO DE RECURSOS DEL MAR  

E-Print Network [OSTI]

recursos. Evaluación de impacto ambiental. Ecología marina. odefeo@mda.cinvestav.mx Jorge Iván Euán Ávila) Cinvestav- Mérida. Temas de investigación: Impacto ambiental y efectos biológicos de la presencia de: Manejo costero, política y legislación ambiental, análisis espacial de ecosistemas, teledetección y

388

Introducci'on a la Mec'anica Cl'asica FAMAT, agst-dic 2000  

E-Print Network [OSTI]

el martes, 19 de sept.) 1.Demostrar la Ley de Conservaci'on de Energ'ia para las soluci'ones de la ecua* *ci'on de Newton m"x= -rV (x), en donde x(t) 2 Rn, V : Rn ! R y la energ'ia est'a dada. Demuestra que la superficie de nivel para un nivel de energ'ia E0 >* * 0 es una esfera en R2n, y que las

Bor, Gil

389

CIMAT, VIII Escuela de verano, 30 de julio -12 de agos* Introducci'on a la Geometr'ia de la Mec'anic*  

E-Print Network [OSTI]

* *fluencia de una fuerza F(x) se define su energ'ia (como funci'on de su posici'on y velocidad) por E = T +* * V donde la energ'ia cin'etica T = m(x`)2=2 y la energ'ia potencial V (x) es una funci'on que(x) entonces su energ* *'ia E se mantiene constante en el tiempo (la Ley de Conservaci'on de Energ'ia

Bor, Gil

390

Bernoulli 18(2), 2012, 476495 DOI: 10.3150/10-BEJ348  

E-Print Network [OSTI]

, Guanajuato, Gto. 36000, Mexico. E-mail: pabreu@cimat.mx 3Hachiman-yama 1101-5-103, Tenpaku-ku, Nagoya 468)dXt with respect to a Lévy process {Xt }. This new class includes as a proper subclass the Jurek class means "the law of" and {X () t } means a Lévy process on Rd whose distribution at time 1 is I(Rd) (d

Maejima, Makoto

391

Environment of deposition and reservoir properties of Teapot sandstones (Upper Cretaceous), Well Draw field, Converse County, Wyoming  

E-Print Network [OSTI]

= monocrystalline quartz, F = feldspar, Rx = rock fragments including chert, micas, and polycrystalline quartz, Mx = maxtrix, and 0th = other minerals. c Sil = silica as grain overgrowths including minor chert, Cal = calcite including minor dolomite and siderite... fossils, and reservoir morphology. Three distinct sandstone facies produce oil and gas at Well Draw field. The main producing zone consists of thicker, channel turbidites. The lower two zones are thinly interbedded with shale and have limited reservoir...

Sullivan, John Joseph

1982-01-01T23:59:59.000Z

392

Terry sandstone member of the Pierre Shale, Upper Cretaceous, Spindle field, Denver Basin, Colorado  

E-Print Network [OSTI]

9 ll 2. 1 13. 2 aLong axis measurement, o = standard deviation Dz ? monocrystalline and polycrystalline quartz, F = feldspar, Rx = rock fragments including detrital chert, Mx = matrix, and 0th - other minerals, primarily mi cas and glauconite...) intervals through the total section, and additional samples were taken in some beds. Thin sections with clear epoxy were prepared from each sample. One representative slide each of the coarsest and finest samples were selected for analysis first. At I mm...

Helsley, Robert James

1985-01-01T23:59:59.000Z

393

Climate and Landscape Factors Associated with Buruli Ulcer Incidence in Victoria, Australia  

E-Print Network [OSTI]

’’ = Total Precipitation, ‘‘SDP’’ = Standard Deviation of Precipitation, ‘‘Mx’’ =Maximum Temperatures, and ‘‘Mn’’ =Minimum Temperatures. For the climate variables, the notation ‘‘T – [number]’’ refers to the given variable at the specified number of months... JAM, Lavender CJ, Handasyde KA, Legione AR, O’Brien CR, et al. (2010) A Major Role for Mammals in the Ecology of Mycobacterium ulcerans. PLoS Neglected Tropical Diseases 4: e791. Available:http://dx.plos.org/10.1371/ journal.pntd.0000791. Accessed 1...

van Ravensway, Jenni; Benbow, Mark Eric; Tsonis, Anastasios A.; Pierce, Steven J.; Campbell, Lindsay P.; Fyfe, Janet A. M.; Hayman, John A.; Johnson, Paul D. R.; Wallace, John R.; Qi, Jiaguo

2012-12-10T23:59:59.000Z

394

EMERGING DIMMINGS OF ACTIVE REGIONS OBSERVED BY THE SOLAR DYNAMICS OBSERVATORY  

SciTech Connect (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

395

Evidence of the dominance of higher-mode surface waves in the lake-bed zone of the Valley of Mexico  

E-Print Network [OSTI]

Evidence of the dominance of higher-mode surface waves in the lake-bed zone of the Valley of Mexico, Coyoacan 04510, Me´xico DF, Mexico. E-mail: krishna@ollin.igeofcu.unam.mx 2 Instituto de Ingeneri´a, UNAM, CU, Coyoacan 04510, Me´xico DF, Mexico Accepted 2001 May 4. Received 2001 April 2; in original form

Shapiro, Nikolai

396

Optimal Perturbation Bounds for the Hermitian Eigenvalue Problem  

E-Print Network [OSTI]

for eigen­ value problems of the form Hx = â??Mx; where H and M are Hermitian. These results give relative results on eigenvalues we allow M to be positive semi­definite and for a few results we allow; : : : ; n: If we restrict J to be nonsingular, then (1.1) is a statement of eigen­ problem for the matrix

Barlow, Jesse

397

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; Ströher, H; Tabidze, M; Trusov, S; Uzikov, Yu; Valdau, Yu; Wilkin, C

2013-01-01T23:59:59.000Z

398

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

SciTech Connect (OSTI)

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

399

Application of Electron Backscatter Diffraction to Phase Identification  

SciTech Connect (OSTI)

The identification of crystalline phases in solids requires knowledge of two microstructural properties: crystallographic structure and chemical composition. Traditionally, this has been accomplished using X-ray diffraction techniques where the measured crystallographic information, in combination with separate chemical composition measurements for specimens of unknown pedigrees, is used to deduce the unknown phases. With the latest microstructural analysis tools for scanning electron microscopes, both the crystallography and composition can be determined in a single analysis utilizing electron backscatter diffraction and energy dispersive spectroscopy, respectively. In this chapter, we discuss the approach required to perform these experiments, elucidate the benefits and limitations of this technique, and detail via case studies how composition, crystallography, and diffraction contrast can be used as phase discriminators.

El-Dasher, B S; Deal, A

2008-07-16T23:59:59.000Z

400

Cold fusion: Electrolytic processes. (Latest citations from the Inspec database). Published Search  

SciTech Connect (OSTI)

The bibliography contains citations concerning the production of excess heat during the electrolysis of heavy water, known as cold fusion. Citations cover the design of electrolytic cells, cathode materials, and experimental conditions required to produce excess heat. Neutron emission and detection, calorimetry, and crystallography of the electrodes are discussed. (Contains 50-250 citations and includes a subject term index and title list.) (Copyright NERAC, Inc. 1995)

NONE

1996-06-01T23:59:59.000Z

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.


401

DOI: 10.1002/chem.200902350 Rigid-Strut-Containing Crown Ethers and [2]Catenanes for Incorporation  

E-Print Network [OSTI]

as templates in the construction of me- chanically interlocked molecules (MIMs), such as catenanes (BPP34C10DA), and dicarboxylic acid 1,5-naphthoparaphenylene[36]crown-10 (NPP36C10DA). These novel10DA was determined by X- ray crystallography. The NPP36C10DA-based [2]catenane (H2NPP36C10DC-CAT·4PF

Yaghi, Omar M.

402

Structure of C42D Azotobacter vinelandii FdI A Cys-X-X-Asp-X-X-Cys MOTIF LIGATES AN AIR-STABLE [4Fe-4S]2 /  

E-Print Network [OSTI]

Structure of C42D Azotobacter vinelandii FdI A Cys-X-X-Asp-X-X-Cys MOTIF LIGATES AN AIR-STABLE [4FeI, which coordinates its [4Fe-4S]2 / cluster, into an aspartate. UV-visible, EPR, and CD spectroscopies, metal analysis, and x-ray crystallography show that, like native FdI, aerobically purified C42D Fd

Stout, Charles D.

403

High throughput prediction of the long term stability of pharmaceutical macromolecules from short term multi-instrument spectroscopic data  

E-Print Network [OSTI]

Diagram (EPD) technique 7 2.1 Introduction . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 7 2.2 Review of experimental methods . . . . . . . . . . . . . . . . . . . . . . . . . 11 2.2.1 X-Ray Crystallography (XRC) and Nuclear... Appendix A - DART script used in Chapter 5 135 Appendix B - Regression functions used in Appendix A 164 x List of Figures 2.1 An empirical phase diagram (EPD) assists in the visualization of data set re- sulting from the methods listed in Table 1. Figures A...

Maddux, Nathaniel

2013-05-31T23:59:59.000Z

404

Discovery of An Aurora Kinase Inhibitor Through Site-Specific Dynamic Combinatorial Chemistry  

SciTech Connect (OSTI)

We demonstrate a fragment-based lead discovery method that combines site-directed ligand discovery with dynamic combinatorial chemistry. Our technique targets dynamic combinatorial screening to a specified region of a protein by using reversible disulfide chemistry. We have used this technology to rapidly identify inhibitors of the drug target Aurora A that span the purine-binding site and the adaptive pocket of the kinase. The binding mode of a noncovalent inhibitor has been further characterized through crystallography.

Cancilla, M.T.; He, M.M.; Viswanathan, N.; Simmons, R.L.; Taylor, M.; Fung, A.D.; Cao, K.; Erlanson, D.A.

2009-05-12T23:59:59.000Z

405

CMLLite: a design philosophy for CML  

E-Print Network [OSTI]

are defined in the XSD schema, with additional natural language and validated using a unit test approach (Java and .NET). It works in the main fields of chemistry for which CML has been developed (molecules, reactions/syntheses, crystallography/solid... developed to support five main areas of chemistry (molecules, reactions, solid-state, spectroscopy and computational chemistry). The strengths and weaknesses of CML have been recently analysed by Dumontier3 and we quote directly: Chemical Markup Language...

Townsend, Joseph A; Murray-Rust, Peter

2011-07-04T23:59:59.000Z

406

Complexation of 5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-7,14-diene dithiocyanate with nickel (II) acetate  

SciTech Connect (OSTI)

The complexation of nickel acetate with tetraaza involves deprotonation of protonated amine nitrogen to form neutral ligand coordinated to the nickel via the four nitrogen atom. The dication complex is paired with thiocyanate anions. The complex was characterized by elemental analysis, UV-VIS and FTIR spectroscopic method. The crystal structure of nickel complex characterized by X-Ray crystallography and adopts square planar geometry.

Ishak, Nur Iliyani Mohd; Yamin, Bohari M. [Department of Chemistry, Faculty of Science and Technology, UniversitiKebangsaan Malaysia, 43600 Bangi, Selangor (Malaysia)

2013-11-27T23:59:59.000Z

407

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

SciTech Connect (OSTI)

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

408

Anthranilimide based glycogen phosphorylase inhibitors for the treatment of type 2 diabetes. Part 3: X-ray crystallographic characterization, core and urea optimization and in vivo efficacy  

SciTech Connect (OSTI)

Key binding interactions of the anthranilimide based glycogen phosphorylase a (GPa) inhibitor 2 from X-ray crystallography studies are described. This series of compounds bind to the AMP site of GP. Using the binding information the core and the phenyl urea moieties were optimized. This work culminated in the identification of compounds with single nanomolar potency as well as in vivo efficacy in a diabetic model.

Thomson, Stephen A.; Banker, Pierette; Bickett, D. Mark; Boucheron, Joyce A.; Carter, H. Luke; Clancy, Daphne C.; Cooper, Joel P.; Dickerson, Scott H.; Garrido, Dulce M.; Nolte, Robert T.; Peat, Andrew J.; Sheckler, Lauren R.; Sparks, Steven M.; Tavares, Francis X.; Wang, Liping; Wang, Tony Y.; Weiel, James E.; (GSKNC)

2009-05-15T23:59:59.000Z

409

X-ray Diffraction (XRD) 1.0 What is X-ray Diffraction  

E-Print Network [OSTI]

X-ray Diffraction (XRD) · 1.0 What is X-ray Diffraction · 2.0 Basics of Crystallography · 3.0 Production of X-rays · 4.0 Applications of XRD · 5.0 Instrumental Sources of Error · 6.0 Conclusions #12 why the cleavage faces of crystals appear to reflect X-ray beams at certain angles of incidence (theta

Moeck, Peter

410

Thermodynamic consistency in variable-level coarse-graining of polymeric liquids  

E-Print Network [OSTI]

Numerically optimized reduced descriptions of macromolecular liquids often present thermodynamic inconsistency with atomistic level descriptions even if the total correlation function, i.e. the structure, appears to be in agreement. An analytical expression for the effective potential between a pair of coarse-grained units is derived starting from the first-principles Ornstein-Zernike equation, for a polymer liquid where each chain is represented as a collection of interpenetrating blobs, with a variable number of blobs, $n_b$, of size $N_b$. The potential is characterized by a long tail, slowly decaying with characteristic scaling exponent of $N_b^{1/4}$. This general result applies to any coarse-grained model of polymer melts with units larger than the persistence length, highlighting the importance of the long, repulsive, potential tail for the model to correctly predict both structural and thermodynamic properties of the macromolecular liquid.

Anthony J. Clark; Jay McCarty; Ivan Y. Lyubimov; Marina G. Guenza

2013-02-13T23:59:59.000Z

411

Molecular Science Research Center 1992 annual report  

SciTech Connect (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

412

Molecular? recognition? from? atomic ?interactions:?? insights ?into ?drug ?discovery?  

E-Print Network [OSTI]

Alpha-D-Glucose GTP Guanosine-5'-Triphosphate GTPCHI GTP-cyclohydrolase I GV Gap Volume HB Hydrogen Bond HBA Hydrogen Bond Acceptor HBD Hydrogen Bond Donor HBPLUS Software to calculate hydrogen bonds in proteins HEM Heme HIV-1 Human Immunodeficiency... Methyllysine mmCIF Macromolecular Crystallographic Information Files MSE Selenomethionine MW Molecular Weight MySQL Open source database engine NAD Nicotinamide Adenine Dinucleotide NAP Nicotinamide Adenine Dinucleotide Phosphate NCC Neighbouring Chemical...

Higueruelo, Alicia Perez

2012-05-08T23:59:59.000Z

413

417th Brookhaven Lecture  

ScienceCinema (OSTI)

Proteins that cleave other proteins using a molecule of water, protease complexes are exquisite macromolecular machines involved in a multitude of physiological and cellular reactions. Our structural studies shed light into the inner workings of multi-protein assemblies, and they reveal a surprisingly common strategy for controlled proteolysis employed by the two drastically different machines. Further research will facilitate rational design of drugs for treating Tb infection and Alzheimer's disease.

Huilin Li

2010-09-01T23:59:59.000Z

414

Kinematical relations among radar-observed water concentrations, vertical motions, and liquid-water drop-size spectra in convective clouds  

E-Print Network [OSTI]

of return settling are often cloudless or consist of cumulus clouds which have had their growth impeded. If conditions in the atmosphere are favorable, convection cells form and the updraft areas associated with these cells develop into cumulonimbus... and time, M & M(x, y, z, t). The x- and y-directions are horizontal and z-direction is positive toward the zenith. If the quantity M is conservative, the local rate of change at a fixed locality (the local change) can be represented by the following...

Runnels, Robert Clayton

1962-01-01T23:59:59.000Z

415

O?[]O? nuclear ?-decay of ?²Ga  

E-Print Network [OSTI]

information, MARS was focused such that only fully stripped N=Z ions were passed, with the vast majority of them being Ga. The second phase of the experiment was a I3-y coincidence experiment. At the back-end of MARS, a 1" x 1 '!4" x 3" four..., using the Weinberg-Salam model of electroweak interactions, to be [23]: A& ? d, ?= ? [41n(mz/m )+ln(m /m?)+2K+A +" ]. (16) Here mz is the mass of the Z boson, me the proton mass, mx is the low energy cutoff for the second and third terms that arise...

Hyman, Bruce Carl

1999-01-01T23:59:59.000Z

416

Transient Analysis for Thermal and Moisture Behavior of Building Elements  

E-Print Network [OSTI]

(,0)mx m= (10) 3.SOLVING METHOD Applying the Laplace transformation to Eqs.(3), (4), (5), (6), (7) and (8) with respect to t , they become 2 00 dTLSTTSm dx ??=?? + m (11) 2 00 dmDSmmST dx T? ?=?? + (12) 11 11 1 11 (,) [(,) ] (1... diffusivity approaches unity. So far, there have been many studies[3,8]concerned with the interactive effect between temperature and moisture, experimentally or analytically. However, for the convenience of analysis, most of the analytical investigations...

Guo, X.; Chen, Y.

2006-01-01T23:59:59.000Z

417

Effects of Temperature and Host Plants on Population Dynamics of the Cotton Fleahopper, Pseudatomoscelis seriatus.  

E-Print Network [OSTI]

. female eggs1 in weeks (X) from 100 eggs (1x1 femalelweek (mx) Ixmx Ro = net reproductive rate per generation = C lxmx Tc = generation time in days = ~lxmx~/~lxmx = 3.8884 rc = capacity for increase = logeRo/Tc = 0.8230 h = finite rate of increase per... F) to 1.6 for fleahoppers reared on beans and potatoes at 35.0 degrees C (95 degrees F). The shortest mean generation time (Tc) was 3.87 weeks on flowering croton at 26.7 degrees C, but comparable values were obtained for groups of fleahoppers...

Gaylor, Michael J.; Sterling, Winfield L.

1976-01-01T23:59:59.000Z

418

Numerical calculation of Green's functions  

E-Print Network [OSTI]

with the infinite sequence of eigenvalues A. , A ~' . This follows from the Fredholm alternative theorem for integral equations [3]. We will state without proof that whenever we represent a function m(x) by an integral transform of a piecewise continuous function.... ( i-l i i i 2 i 31 i-1 ' i-1 i-1 i Then by substraction, Using 4. 3. 2 we have: i+1 i+1 ? y - 2hf(x, y ) 2h but f(x, y. ) = y. (see eq. 4. 2. 1). Then i l. 1 2 6 y (K. +I) + y'''(Ci 1) 2 (( ) i. = 1, 2, ', N-1 where y...

Urrea-Beltran, Julian

1975-01-01T23:59:59.000Z

419

Moving mesh partial differential equations (MMPDEs) based upon the equidistribution principle  

E-Print Network [OSTI]

, ft Ot of fixed, Of Of Of Ox dt Ot fixed= Oz tfixed Ot fixed + fixed for an arbitrary function f f(z, t) f(z(, t), t). Suppose that a uniform mesh is given on the computational domain by (3) i -, 0, 1,...,n, where n is a certain positive integer...) satisfies the QSEP is completely determined from the initial mesh by this relationship. 3.2. (MMPDE2). The analysis for (MMPDE2) is similar to that of (MMPDE1). From a linear stability analysis, we have (49) 5x(, t) e-5 M(x(, 0), 0) 6x(, 0).M(x(,t),t) D ow...

Huang, Weizhang; Ren, Yuhe; Russell, Robert D.

1994-06-01T23:59:59.000Z

420

Cofinality in normal, almost compact spaces  

E-Print Network [OSTI]

TV and such that S(N, k)\\N is (homeomorphic to) k . (Without extra axioms of set theory, we can say only that k satisfies cox < k < c). It is routine to check that Ö(N, k) £ FR(k)\\CI(k) . Example 3.4. Assuming the axiom 0, Osteszewski [O] constructed... £ %. By the pressing down lemma, there is pa , which is in Ux for cofinally many X 's. Because qx $ Mx , there are k many different Ux 's. (c) Follows from (a), (b), and Kunen's Theorem [P, 3.7]. We remark that the disjoint closed subsets of X x (k + 1) that cannot...

Fleissner, William G.; Kulesza, J.; Levy, R.

1991-10-01T23:59:59.000Z

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

Master 2 Atiam : Traitement du Signal Audionumerique. Duree : 2h. Aucun document n'est autorise.  

E-Print Network [OSTI]

(z) = nZ x(n)z-n ­ Fonction d'autocovariance d'un processus X(n) stationnaire au sens large (SSL) r´e spectrale de puissance (DSP) d'un processus X(n) SSL : SX(e2i ) = kZ RX(k)e-2ik ­ Filtrage des processus SSL transfert H(z), d'un processus SSL X(n). Alors Y (n) est un processus SSL : ­ de moyenne mY = H(1) mX (o`u H

Badeau, Roland

422

An investigation of the secondary stress effects of crooked compression members  

E-Print Network [OSTI]

with respect to x, dy M~ M~kcoskv M~ Ms kcostg Ms c, mx' ? koan kg + 1l P ? CO5 ? Pq, dN' P Pan kC P/ Psi n kL PL / L. If the variable, x, in this equation is replaced by 0 or L it will define the end slopes, E3~ and ~z respectively. If the following... are proportioned generally to satisfy the requirements of the American Institute of Steel Construction's Specifications and are assumed to have a modulus of elasticity of 30 x 106 psi. (a) SBPLK LOADED TRUSS 0~ ( ) VILLIOT-MOHR DIAGRAM Figure 5 Values...

Noel, James Sheridan

1958-01-01T23:59:59.000Z

423

The cardiac output response and the oxygen cost of increased work of breathing  

E-Print Network [OSTI]

. By back extrapolation from the measured values, Liljestrand estimated the oxygen cost of breathing at rest to be about 0. 5 ml Op per liter of ventilation. This resting value was later substantiated by Neilsen ( 1936). In addition, Nei lsen also...-smokers and free from any 20 WORlC 8. 1750 cal VOLUME 1142 el s M*X IHSP PRE -8. 48 cwH20 MAX EXP PRE 2 ' 22 cMH2Q Figure 4. Work of breathing measurement of a single breath at rest. The shaded and black areas to the left of the base pressure (-4. 5 cm...

Krause, Kevin Michael

1989-01-01T23:59:59.000Z

424

Indication of a deeply bound compact K-pp state formed in the pp -> p Lambda K+ reaction at 2.85 GeV  

E-Print Network [OSTI]

We have analyzed data of the DISTO experiment on the exclusive pp -> p Lambda K+ reaction at 2.85 GeV to search for a strongly bound compact K-pp (= X) state to be formed in the pp -> K+ + X reaction. The observed spectra of the K+ missing-mass and the p Lambda invariant-mass with high transverse momenta of p and K+ revealed a broad distinct peak with a mass M_X = 2265 +- 2 (stat) +- 5 (syst) MeV/c2 and a width Gamma_X = 118 +- 8 (stat) +- 10 (syst) MeV.

T. Yamazaki; M. Maggiora; P. Kienle; K. Suzuki; A. Amoroso; M. Alexeev; F. Balestra; Y. Bedfer; R. Bertini; L. C. Bland; A. Brenschede; F. Brochard; M. P. Bussa; Seonho Choi; M. L. Colantoni; R. Dressler; M. Dzemidzic; J. -Cl. Faivre; L. Ferrero; J. Foryciarz; I. Froehlich; V. Frolov; R. Garfagnini; A. Grasso; S. Heinz; W. W. Jacobs; W. Kuhn; A. Maggiora; D. Panzieri; H. -W. Pfaff; G. Pontecorvo; A. Popov; J. Ritman; P. Salabura; S. Sosio; V. Tchalyshev; S. E. Vigdor

2010-02-18T23:59:59.000Z

425

First exclusive measurements of the K^-pp state - populated in the pp to K^+ Lambda p reaction at 2.85 GeV  

E-Print Network [OSTI]

We have analyzed data of the DISTO experiment on the exclusive pp to K^+ Lambda p process at T_p = 2.85$ GeV to search for a K^-pp (= X) nuclear bound state to be formed in the pp to K^+ + X reaction. The deviation spectra of the K^+ missing-mass MM (K^+) and Lambda p invariant-mass M(Lambda-p) with selection of large-angle proton emission revealed a structure with M_X = 2265 +- 2 MeV/c2 and Gamma_X = 118 +- 8$ MeV.

T. Yamazaki

2008-10-29T23:59:59.000Z

426

THE INSTITUTE OF ELECTRONICS, INFORMATION AND COMMUNICATION ENGINEERS  

E-Print Network [OSTI]

@.J,$r=--5n$9$kJK! $H$7$F!$J#?t$N%^%$%/%m%U%)%s$rMxMQ$7!$5U%U%#%k%?$r $F4QB,?.9f$+$i;D6A@.J,$r=--5n$9$kJK![5$k¡jK![7]!$D4GH9=B$$K4p$E$/5U%U%#%k%?@7W K![8]!$%Q%o!¡%H%i%8%'%/%H%j!¡;D6A%b%G%k$K$h$k;D6A=--5[9] Ey

Takiguchi, Tetsuya

427

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

428

In-situ Phase transformation study in fine grained heat affected zone of Grade 91 steels  

SciTech Connect (OSTI)

Creep strength-enhanced ferritic (CSEF) steels such as the 9 Cr steel [ASTM A387 Grade 91] are widely used as tubing and piping in the new generation of fossil fired power plants. Microstructures in the fine-grained heat affected zone (FGHAZ) may significantly reduce creep strength leading Type IV failures. Current research suggest that reducing pre-weld tempering temperature from 760 C (HTT) to 650 C (LTT) has the potential to double the creep life of these welds. To understand this improvement, time-resolved X-ray diffraction (TRXRD) measurement with synchrotron radiation was used to characterize the microstructure evolution during fine grained heat-affected zone (HAZ) thermal cycling of grade 91 steel. The measurements showed both M23C6 (M=Fe, Cr) and MX (M=Nb, V; X=C,N) are present in the sample after the HTT condition. Near equilibrium fraction of M23C6 was measured in high temperature tempering condition (HTT, 760 C). However, the amount of M23C6 in LTT condition was very low since the diffraction peaks are close to the background. During simulated FGHAZ thermal cycling, the M23C6 partially dissolved in HTT sample. Interestingly, MX did not dissolve in both LTT and HTT samples. Hypothesis for correlation of M23C6 carbide distribution and pre-mature creep failure in FGHAZ will be made.

Babu, Sudarsanam Suresh [Ohio State University; Yamamoto, Yukinori [ORNL; Santella, Michael L [ORNL; Yu, Xinghua [ORNL; Komizo, Prof. Y [Osaka University; Terasaki, Prof. H [Osaka University

2014-01-01T23:59:59.000Z

429

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

2005-06-07T23:59:59.000Z

430

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

431

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

432

Topology and glass structure evolution in (BaO){sub x}((B{sub 2}O{sub 3}){sub 32}(SiO{sub 2}){sub 68}){sub 100?x} ternary—Evidence of rigid, intermediate, and flexible phases  

SciTech Connect (OSTI)

We examine variations in the glass transition temperature (T{sub g}(x)), molar volume (V{sub m}(x)), and Raman scattering of titled glasses as a function of modifier (BaO) content in the 25% < x < 48% range. Three distinct regimes of behavior are observed; at low x, 24% < x < 29% range, the modifier largely polymerizes the backbone, T{sub g}(x) increase, features that we identify with the stressed-rigid elastic phase. At high x, 32% < x < 48% range, the modifier depolymerizes the network by creating non-bridging oxygen (NBO) atoms; in this regime T{sub g}(x) decreases, and networks are viewed to be in the flexible elastic phase. In the narrow intermediate x regime, 29% < x < 32% range, T{sub g}(x) shows a broad global maximum almost independent of x, and Raman mode scattering strengths and mode frequencies become relatively x-independent, V{sub m}(x) show a global minimum, features that we associate with the isostatically rigid elastic phase, also called the intermediate phase. In this phase, medium range structures adapt as revealed by the count of Lagrangian bonding constraints and Raman mode scattering strengths.

Holbrook, C. [AFRL/RYDP, 2241 Avionics Circle, B620, Wright-Patterson AFB, Ohio 45433-7707 (United States)] [AFRL/RYDP, 2241 Avionics Circle, B620, Wright-Patterson AFB, Ohio 45433-7707 (United States); Chakraborty, Shibalik; Ravindren, S.; Boolchand, P. [Department of Electrical and Computing Systems, College of Engineering and Applied Science, University of Cincinnati, Cincinnati, Ohio 45221-0030 (United States)] [Department of Electrical and Computing Systems, College of Engineering and Applied Science, University of Cincinnati, Cincinnati, Ohio 45221-0030 (United States); Goldstein, Jonathan T.; Stutz, C. E. [AFRL/RXAN, 3005 Hobson Way, B651, Wright-Patterson AFB, Ohio 45433-7707 (United States)] [AFRL/RXAN, 3005 Hobson Way, B651, Wright-Patterson AFB, Ohio 45433-7707 (United States)

2014-04-14T23:59:59.000Z

433

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

SciTech Connect (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

434

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

SciTech Connect (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

435

X-ray structures of checkpoint kinase 2 in complex with inhibitors that target its gatekeeper-dependent hydrophobic pocket  

SciTech Connect (OSTI)

The serine/threonine checkpoint kinase 2 (Chk2) is an attractive molecular target for the development of small molecule inhibitors to treat cancer. Here, we report the rational design of Chk2 inhibitors that target the gatekeeper-dependent hydrophobic pocket located behind the adenine-binding region of the ATP-binding site. These compounds exhibit IC{sub 50} values in the low nanomolar range and are highly selective for Chk2 over Chk1. X-ray crystallography was used to determine the structures of the inhibitors in complex with the catalytic kinase domain of Chk2 to verify their modes of binding.

Lountos, George T.; Jobson, Andrew G.; Tropea, Joseph E.; Self, Christopher R.; Zhang, Guangtao; Pommier, Yves; Shoemaker, Robert H.; Waugh, David S. (Provid); (NIH); (SAIC); (NCI)

2012-09-17T23:59:59.000Z

436

Studies on Pyridazine Azide Cyclisation Reactions  

SciTech Connect (OSTI)

Reaction of sodium azide with 4-methyl-3,5,6-tribromopyridazine results in the formation of 3,5,6-triazide intermediate which could cyclise to give two possible bicyclic products while ab initio calculations show that the formation of a tricyclic compound is extremely energetically unfavourable. However, experimentally, only one major product is isolated. The structure of this unstable product has been conclusively established by X-ray crystallography as 3,5-diazido-4-methyl[1,5-b]tetrazolopyridazine confirming theoretical predictions.

Allan, R.D.; Greenwood, J.; Hambley, T.; Hanrahan, J.R.; Hibbs, D.E.; Itani, S.; Tran, H.; Turner, P. (University of Sydney)

2010-11-16T23:59:59.000Z

437

Crystallographic Characteristics of Grain Boundaries in Dense Yttria-Stabilized Zirconia  

SciTech Connect (OSTI)

Grain-boundary plane, misorientation angle, grain size, and grain-boundary energy distributions were quantified using electron backscatter diffraction data for dense polycrystalline yttria-stabilized zirconia, to understand interfacial crystallography in solid oxide fuel cells. Tape-cast samples were sintered at 14501C for 4 h and annealed for at least 100 h between 8001C and 16501C. Distributions obtained from both three-dimensional (3D) reconstructions and stereological analyses of 2D sections demonstrated that the (100) boundary planes {(111)} have relative areas larger {smaller} than expected in a random distribution, and that the boundary plane distribution is inversely correlated to the boundary energy distribution.

Lam Helmick; Shen J. Dillon; Kirk Gerdes; Randall Gemmen; Gregory S. Rohrer; Sridhar Seetharaman; Paul A. Salvador

2010-04-01T23:59:59.000Z

438

Finding New Thermoelectric Compounds Using Crystallographic Data: Atomic Displacement Parameters  

SciTech Connect (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

439

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

SciTech Connect (OSTI)

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

440

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

SciTech Connect (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

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

Aspects of glycine metabolism in juvenile white shrimp (Penaeus setiferus, L.) acutely exposed to hypersaline conditions  

E-Print Network [OSTI]

Penaeus set1ferus. D1stribution of tr1t1um label (adminis- te ed a~sll-gtycfne and gh-p oline) hetwe the FAA and macromolecular pools of abdom1nal muscle. . . . . . . . . . . . . . . . . . . . . 27 Penaeus set1ferus. Di str1but1on of C label (admin 1s... th1s an1mal is exposed to a hypersaline environment. Two meta- bol1c pathways by which the glycine levels might be increased have been investigated. The poss1b1lity that catabolism of a specif1c protein may contribute to the increased glyc1ne...

Koenig, Michael L

1981-01-01T23:59:59.000Z

442

Polarized Neutron in Structural Biology Present and Future Outlook  

SciTech Connect (OSTI)

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

443

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

SciTech Connect (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

444

Thermolysis of surface-attached 1,3-diphenylpropane: Impact of surface immobilization on thermal reaction mechanisms  

SciTech Connect (OSTI)

Attempts to understand the thermal chemistry of coal at the molecular level are severely complicated by its inherent properties: a diverse array of structural units (e.g., aromatic, hydroaromatic, and heterocyclic aromatic clusters connected by short aliphatic and ether links) and functional groups (e.g., phenolic hydroxyls, carboxyls, and basic nitrogens) in a cross-linked macromolecular framework with no repeating units. One simplifying experimental approach has been the study of individual model compounds that highlight structural features in coal. A complicating feature in the interpretive extrapolation of model compound behavior to coal is the possible modifications in free-radical reactivity patterns resulting from restricted translational mobility in the coal where breaking one bond in the macromolecular structure will result in radical centers that are still attached to the residual framework. We are modeling this phenomenon by studying the thermolysis of model compounds that are immobilized by covalent attachment to an inert surface. Previous studies of surface-immobilized bibenzyl (1,2-diphenylethane) showed that immobilization can profoundly alter free-radical reaction pathways compared with the corresponding fluid phase behavior. In particular, free-radical chain pathways became dominant decay routes leading to rearrangement, cyclization, and hydrogenolysis of the bibenzyl groups. In this paper we describe preliminary results on the effects of surface immobilization on the thermolysis of 1,3-diphenylpropane, whose fluid phase behavior has been extensively investigated. 9 refs., 1 fig.

Buchanan, A.C. III; Biggs, C.A.

1987-01-01T23:59:59.000Z

445

Analytical and micromagnetic study of a Neel domain wall  

E-Print Network [OSTI]

; =Mx#1;x#2; /Ms and v#1;x#2;=My#1;x#2; /Ms, with u#1;x#2;2+v#1;x#2;2=1. To obtain the magnetization distribution one minimizes the magnetostatic energy functional with the boundary con- ditions v#1;#3;#4;#2;= #3;1, u#1;0#2;=1. The first condition... uniformly magnetized magnetic prism that is infinite in the y direction and averaged along the x-z plane, is given by17 #11; #14; 1 ? p 2 2p ln#1;1 + p2#2; + p ln p + 2 arctan#8;1p p = h2w . #1;3.1#2; Assuming that h#5;w, i.e., the sample is thin, we...

Rivkin, K.; Romanov, K.; Abanov, Artem; Adamov, Y.; Saslow, W. M.

2008-01-01T23:59:59.000Z

446

Search for new physics in t?+ large ET-> bb?qq?qq? + large ET final state in pp? collisions at ?s=1.96 TeV  

DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

We present a search for a new particle T' decaying to a top quark via T' = t + X, where X goes undetected. We use a data sample corresponding to 5.7 fb-1 of integrated luminosity of pp? collisions with ?s = 1.96 TeV, collected at Fermilab Tevatron by the CDF II detector. Our search for pair production of T' is focused on the hadronic decay channel, pp? = T'T' ?= tt?+XX?=bqq?b?q?q + XX?. We interpret our results in terms of a model where T' is an exotic fourth generation quark and X is a dark matter particle. The data are consistent with standard model expectations. We set a limit on the generic production of T'T' ? = tt ?=+ XX?, excluding the fourth generation exotic quarks T' at 95% confidence level up to mT` = 400 GeV/c2 for mX ? 70 GeV/c2.

Aaltonen, T [Helsinki Inst. of Phys.; Gonzalez, B Alvarez [Oviedo U.; Cantabria Inst. of Phys.; Amerio, S [INFN, Padua; Amidei, D [Michigan U.; Anastassov, A [Northwestern U.; Annovi, A [Frascati

2011-11-11T23:59:59.000Z

447

THE MAGNETIC ENERGY-HELICITY DIAGRAM OF SOLAR ACTIVE REGIONS  

SciTech Connect (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

448

Vision based navigation using novel optical sensors  

E-Print Network [OSTI]

~ O g M ~ R o 3j a o g O o 4k o + 6go O ) + A O L g A 0 ~O VJ A 'tS A oo A M A O O I4 8 'C el CC + C O C O ~O L 0 A V C C4 . 8 M C5 0 'C 0 C4 8 'C CC . 5 0 27 ~Sl R*Bt Experimental Setup 2 In a first.... Additionally, we define the following quantities: I: Inertia of the robot about G. M: Mass of the robot. Let's calculate the equations of inofion of G. Projecting the thrusters forces: MX ' VU~ cos 8 + VU2 cos 8 VUi sin 8 ? VU4 sin 8 MY = VU, sin 8+ VU...

Wazni, Karim Patrick

2012-06-07T23:59:59.000Z

449

The design of efficient input circuits for class C amplifiers  

E-Print Network [OSTI]

?XXXXXXXXXXXXXXXXXXXXXXXXXXX?? ??X ??o?? hen?in? c?o?ef? tiinf?s?sfg o? g?s rn?eo jis??sf?? linfd?eggsi X ? ? ? ? ? ? ? ? X X X X X X X ?? m?cl aj lt?m?c lt?m? ?n?s ?? uni?ofe? tfn??ded o? ?nien? linfd?oi?si XXXXXXXXXXXXXXXXXXXXXXXX ?? ??X ?snd?is? nf? ?n????ngs? a...?geof ???? ??????? l?s ?fdgeg?gs o? rn?eo ?f?efssidX jX ?X lsi?nf? ?rn?eo sf?efssief????? ???in? ue?? ?oo? ?o??nf?? ????X ??X mX ??siegg? ??a?ge??? o?singef? ?of?egeofd ?oi ??ndd ? n???e?esid?? ?io?ss?ef?d o? ?fdgeg?gs o? rn?eo ?f?efssid ??? ??? ??????X ??jX ?X...

Fristoe, Harold T.

2013-10-04T23:59:59.000Z

450

Commercial Feedings Stuffs 1913: Feed Law.  

E-Print Network [OSTI]

466-414-30m TEXAS AGRICULTURAL EXPERIMENT STATION B u l l e t in Bul eti A p r i l , 1914 FEED CONTROL SERVICE Commercial Feeding Stuffs 1913 FEED LAW nAprA,,E.Hs .uLLJaJ pRTRSuWm KyTouP .uCWRhm rJgTPl 3AB KA0.0OMBBIFABHp .Alm nd...EBrHdpm MfprEBm rH1Mp AGRICULTURAL AND MECHANICAL COLLEGE OF TEXAS . 9 T y L J P n C y h J T y m President Pro Tern. rH1Mp M4dE.fxrfdMx H1nHdEOHBr prMrEAB BOARD OF DIRECTORS Hl Kl . CP9SWam Presidentm Gu...

Youngblood, B.

1914-01-01T23:59:59.000Z

451

A proposed college level teacher-training program in agricultural education for East Pakistan  

E-Print Network [OSTI]

PQRKQBTURR, "%- THi? UNXYED BMTMs At the time ef' the~ssage cf the Fedeiei Act~ 13Nle instrugMen on college level teacher-training was given th M~iroes whereas it' was ~ff&5~-with xdxita=tauw~s? Nor Megr45sx- ~M= thQ W@4?QLCiQQ. -~ fus po. "gt~~:pgQ@k g... extension soak en the sub-division arid higher. 2-- Agxicultxxxal xeseaech woxk in the dUfszent linies ef epeeisl- search and education branch of the Mx'actor'ats of Agxieultuxe? 'a'gx4eultv'gsl;sduosti~ , though . the agxiqu3, tm'al q~en'-sesylce. ie...

Ahmad, Moslehuddin

2012-06-07T23:59:59.000Z

452

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

2014-05-28T23:59:59.000Z

453

Microstructural evolution of delta ferrite in SAVE12 steel under heat treatment and short-term creep  

SciTech Connect (OSTI)

This research focused on the formation and microstructural evolution of delta ferrite phase in SAVE12 steel. The formation of delta ferrite was due to the high content of ferrite forming alloy elements such as Cr, W, and Ta. This was interpreted through either JMatPro-4.1 computer program or Cr{sub eq} calculations. Delta ferrite was found in bamboo-like shape and contained large amount of MX phase. It was surrounded by Laves phases before creep or aging treatment. Annealing treatments were performed under temperatures from 1050 Degree-Sign C to 1100 Degree-Sign C and various time periods to study its dissolution kinetics. The result showed that most of the delta ferrite can be dissolved by annealing in single phase austenitic region. Dissolution process of delta ferrite may largely depend on dissolution kinetic factors, rather than on thermodynamic factors. Precipitation behavior during short-term (1100 h) creep was investigated at temperature of 600 Degree-Sign C under a stress of 180 MPa. The results demonstrated that delta ferrite became preferential nucleation sites for Laves phase at the early stage of creep. Laves phase on the boundary around delta ferrite showed relatively slower growth and coarsening rate than that inside delta ferrite. - Highlights: Black-Right-Pointing-Pointer Delta ferrite is systematically studied under heat treatment and short-term creep. Black-Right-Pointing-Pointer Delta ferrite contains large number of MX phase and is surrounded by Laves phases before creep or aging treatment. Black-Right-Pointing-Pointer Formation of delta ferrite is interpreted by theoretical and empirical methods. Black-Right-Pointing-Pointer Most of the delta ferrite is dissolved by annealing in single phase austenitic region. Black-Right-Pointing-Pointer Delta ferrite becomes preferential nucleation sites for Laves phase at the early stage of creep.

Li, Shengzhi, E-mail: lishengzhi@sjtu.edu.cn [School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China)] [School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Eliniyaz, Zumrat; Zhang, Lanting; Sun, Feng [School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China)] [School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Shen, Yinzhong [School of Nuclear Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China)] [School of Nuclear Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China); Shan, Aidang, E-mail: adshan@sjtu.edu.cn [School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China)] [School of Materials Science and Engineering, Shanghai Jiao Tong University, Shanghai 200240 (China)

2012-11-15T23:59:59.000Z

454

On The Injection Spectrum of Ultrahigh Energy Cosmic Rays in the Top-Down Scenario  

E-Print Network [OSTI]

We analyze the uncertainties involved in obtaining the injection spectra of UHECR particles in the top-down scenario of their origin. We show that the DGLAP $Q^2$ evolution of fragmentation functions (FF) to $Q=M_X$ (mass of the X particle) from their initial values at low $Q$ is subject to considerable uncertainties. We therefore argue that, for $x\\lsim 0.1$ (the $x$ region of interest for most large $M_X$ values of interest, $x\\equiv 2E/M_X$ being the scaled energy variable), the FF obtained from DGLAP evolution is no more reliable than that provided, for example, by a simple Gaussian form (in the variable $\\ln(1/x)$) obtained under the Modified Leading Log Approximation (MLLA). Additionally, we find that for $x\\gsim0.1$, the evolution in $Q^2$ of the singlet FF, which determines the injection spectrum, is ``minimal'' -- the singlet FF changes by barely a factor of 2 after evolving it over $\\sim$ 14 orders of magnitude in $Q\\sim M_X$. We, therefore, argue that as long as the measurement of the UHECR spectrum above $\\sim10^{20}\\ev$ is going to remain uncertain by a factor of 2 or larger, it is good enough for most practical purposes to directly use any one of the available initial parametrisations of the FFs in the $x$ region $x\\gsim0.1$ based on low energy data even without evolving them to the requisite $Q^2$ value.

Rahul Basu; Pijushpani Bhattacharjee

2004-05-13T23:59:59.000Z

455

Regenerable MgO promoted metal oxide oxygen carriers for chemical looping combustion  

DOE Patents [OSTI]

The disclosure provides an oxygen carrier comprised of a plurality of metal oxide particles in contact with a plurality of MgO promoter particles. The MgO promoter particles increase the reaction rate and oxygen utilization of the metal oxide when contacting with a gaseous hydrocarbon at a temperature greater than about 725.degree. C. The promoted oxide solid is generally comprised of less than about 25 wt. % MgO, and may be prepared by physical mixing, incipient wetness impregnation, or other methods known in the art. The oxygen carrier exhibits a crystalline structure of the metal oxide and a crystalline structure of MgO under XRD crystallography, and retains these crystalline structures over subsequent redox cycles. In an embodiment, the metal oxide is Fe.sub.2O.sub.3, and the gaseous hydrocarbon is comprised of methane.

Siriwardane, Ranjani V.; Miller, Duane D.

2014-08-19T23:59:59.000Z

456

New metal-organic nanomaterials synthesized by laser irradiation of organic liquids  

SciTech Connect (OSTI)

A new type of metal-organic composition consisting of clusters of nanoparticles has been synthesised by laser irradiation of metallocene/benzene solutions. The metallocene molecules in this reaction become the source of the metal. Exposure to high-energy femtosecond laser pulses dehydrogenate benzene molecules and initiate the high-temperature high-pressure conditions that results in the synthesis of new materials. Irradiation experiments have been carried out on ferrocene/benzene and on other solutions. With ferrocene the synthesis of a new compound has been confirmed by X-ray powder diffraction as the peaks detected do not correspond to any known substance in the Crystallography Open Database. Theoretical simulation of the periodic structure of this new carbide predicts that it has hexagonal symmetry and a unit cell with a = 3.2A and c =2.8A. The exact structure is still uncertain but may be determined from scanning tunneling microscope (STM) studies.

Kuzmin, Stanislav L.; Wesolowski, Michal J.; Duley, Walter W. [Department of Physics and Astronomy, University of Waterloo, 200 University Avenue West, Waterloo, ON N2L 3G1 (Canada)

2014-03-31T23:59:59.000Z

457

Focused Evolution of HIV-1 Neutralizing Antibodies Revealed by Structures and Deep Sequencing  

SciTech Connect (OSTI)

Antibody VRC01 is a human immunoglobulin that neutralizes about 90% of HIV-1 isolates. To understand how such broadly neutralizing antibodies develop, we used x-ray crystallography and 454 pyrosequencing to characterize additional VRC01-like antibodies from HIV-1-infected individuals. Crystal structures revealed a convergent mode of binding for diverse antibodies to the same CD4-binding-site epitope. A functional genomics analysis of expressed heavy and light chains revealed common pathways of antibody-heavy chain maturation, confined to the IGHV1-2*02 lineage, involving dozens of somatic changes, and capable of pairing with different light chains. Broadly neutralizing HIV-1 immunity associated with VRC01-like antibodies thus involves the evolution of antibodies to a highly affinity-matured state required to recognize an invariant viral structure, with lineages defined from thousands of sequences providing a genetic roadmap of their development.

Wu, Xueling; Zhou, Tongqing; Zhu, Jiang; Zhang, Baoshan; Georgiev, Ivelin; Wang, Charlene; Chen, Xuejun; Longo, Nancy S.; Louder, Mark; McKee, Krisha; O’ Dell, Sijy; Perfetto, Stephen; Schmidt, Stephen D.; Shi, Wei; Wu, Lan; Yang, Yongping; Yang, Zhi-Yong; Yang, Zhongjia; Zhang, Zhenhai; Bonsignori, Mattia; Crump, John A.; Kapiga, Saidi H.; Sam, Noel E.; Haynes, Barton F.; Simek, Melissa; Burton, Dennis R.; Koff, Wayne C.; Doria-Rose, Nicole A.; Connors, Mark; Mullikin, James C.; Nabel, Gary J.; Roederer, Mario; Shapiro, Lawrence; Kwong, Peter D.; Mascola, John R. (Tumaini); (NIH); (Duke); (Kilimanjaro Repro.); (IAVI)

2013-03-04T23:59:59.000Z

458

National Synchrotron Light Source annual report 1991  

SciTech Connect (OSTI)

This report discusses the following research conducted at NSLS: atomic and molecular science; energy dispersive diffraction; lithography, microscopy and tomography; nuclear physics; UV photoemission and surface science; x-ray absorption spectroscopy; x-ray scattering and crystallography; x-ray topography; workshop on surface structure; workshop on electronic and chemical phenomena at surfaces; workshop on imaging; UV FEL machine reviews; VUV machine operations; VUV beamline operations; VUV storage ring parameters; x-ray machine operations; x-ray beamline operations; x-ray storage ring parameters; superconducting x-ray lithography source; SXLS storage ring parameters; the accelerator test facility; proposed UV-FEL user facility at the NSLS; global orbit feedback systems; and NSLS computer system.

Hulbert, S.L.; Lazarz, N.M. (eds.)

1992-04-01T23:59:59.000Z

459

National Synchrotron Light Source annual report 1991. Volume 1, October 1, 1990--September 30, 1991  

SciTech Connect (OSTI)

This report discusses the following research conducted at NSLS: atomic and molecular science; energy dispersive diffraction; lithography, microscopy and tomography; nuclear physics; UV photoemission and surface science; x-ray absorption spectroscopy; x-ray scattering and crystallography; x-ray topography; workshop on surface structure; workshop on electronic and chemical phenomena at surfaces; workshop on imaging; UV FEL machine reviews; VUV machine operations; VUV beamline operations; VUV storage ring parameters; x-ray machine operations; x-ray beamline operations; x-ray storage ring parameters; superconducting x-ray lithography source; SXLS storage ring parameters; the accelerator test facility; proposed UV-FEL user facility at the NSLS; global orbit feedback systems; and NSLS computer system.

Hulbert, S.L.; Lazarz, N.M. [eds.

1992-04-01T23:59:59.000Z

460

High efficiency replicated x-ray optics and fabrication method  

DOE Patents [OSTI]

Replicated x-ray optics are fabricated by sputter deposition of reflecting layers on a super-polished reusable mandrel. The reflecting layers are strengthened by a supporting multilayer that results in stronger stress-relieved reflecting surfaces that do not deform during separation from the mandrel. The supporting multilayer enhances the ability to part the replica from the mandrel without degradation in surface roughness. The reflecting surfaces are comparable in smoothness to the mandrel surface. An outer layer is electrodeposited on the supporting multilayer. A parting layer may be deposited directly on the mandrel before the reflecting surface to facilitate removal of the layered, tubular optic device from the mandrel without deformation. The inner reflecting surface of the shell can be a single layer grazing reflection mirror or a resonant multilayer mirror. The resulting optics can be used in a wide variety of applications, including lithography, microscopy, radiography, tomography, and crystallography.

Barbee, Jr., Troy W. (Palo Alto, CA); Lane, Stephen M. (Oakland, CA); Hoffman, Donald E. (Fremont, CA)

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.


461

Reduction of Annealing Times for Energy Conservation in Aluminum  

SciTech Connect (OSTI)

Carnegie Mellon University was teamed with the Alcoa Technical Center with support from the US Dept. of Energy (Office of Industrial Technology) and the Pennsylvania Technology Investment Authority (PTIA) to make processing of aluminum less costly and more energy efficient. Researchers in the Department of Materials Science and Engineering have investigated how annealing processes in the early stages of aluminum processing affect the structure and properties of the material. Annealing at high temperatures consumes significant amounts of time and energy. By making detailed measurements of the crystallography and morphology of internal structural changes they have generated new information that will provide a scientific basis for shortening processing times and consuming less energy during annealing.

Anthony D. Rollett; Hasso Weiland; Mohammed Alvi; Abhijit Brahme

2005-08-31T23:59:59.000Z

462

Amorphous silicon radiation detectors  

DOE Patents [OSTI]

Hydrogenated amorphous silicon radiation detector devices having enhanced signal are disclosed. Specifically provided are transversely oriented electrode layers and layered detector configurations of amorphous silicon, the structure of which allow high electric fields upon application of a bias thereby beneficially resulting in a reduction in noise from contact injection and an increase in signal including avalanche multiplication and gain of the signal produced by incoming high energy radiation. These enhanced radiation sensitive devices can be used as measuring and detection means for visible light, low energy photons and high energy ionizing particles such as electrons, x-rays, alpha particles, beta particles and gamma radiation. Particular utility of the device is disclosed for precision powder crystallography and biological identification.

Street, Robert A. (Palo Alto, CA); Perez-Mendez, Victor (Berkeley, CA); Kaplan, Selig N. (El Cerrito, CA)

1992-01-01T23:59:59.000Z

463

Amorphous silicon radiation detectors  

DOE Patents [OSTI]

Hydrogenated amorphous silicon radiation detector devices having enhanced signal are disclosed. Specifically provided are transversely oriented electrode layers and layered detector configurations of amorphous silicon, the structure of which allow high electric fields upon application of a bias thereby beneficially resulting in a reduction in noise from contact injection and an increase in signal including avalanche multiplication and gain of the signal produced by incoming high energy radiation. These enhanced radiation sensitive devices can be used as measuring and detection means for visible light, low energy photons and high energy ionizing particles such as electrons, x-rays, alpha particles, beta particles and gamma radiation. Particular utility of the device is disclosed for precision powder crystallography and biological identification. 13 figs.

Street, R.A.; Perez-Mendez, V.; Kaplan, S.N.

1992-11-17T23:59:59.000Z

464

Preparation and characterization of chiral metal-metal bonded compounds  

E-Print Network [OSTI]

(LL)2 Complexes. Reactio~ of Re2(02CCSHS)4012 rrith dPcp . Resolution of Optical Isomers of B-Mo C14(dpcp)2 2 Preparation of Rh2(02CCM3)4L2 ComPlexes. Physical Measurements. X-ray Crystallography. III RESULTS. 12 12 12 14 18 18 20 20 48... )] Positional and Isotropic Equivalent Thermal Parameters for Rh2(02CCH3)4[(R)-(+)-N(CH )2CH(CH )(C6H )]2 Anisotropic Temperature Factor s (B's) for Rh (0 CCH ) [(R)-(+)-N(CH 2CH CH C6H 47 LIST OF TABLES (continued) TABLE PAGE XVI Important Torsion Angles...

Gibson, Elaine Claire

1985-01-01T23:59:59.000Z

465

ChemMatCARS Data Archive  

DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

ChemMatCARS is a high-brilliance national synchrotron x-ray facility dedicated primarily to static and dynamic condensed matter chemistry and materials science. The scientific focus of the facility includes the study of surface and interfacial properties of liquids and solids as well as their bulk structure at atomic, molecular and mesoscopic length scales with high spatial and energy resolution. Experimental techniques supported by the facility include: 1) Liquid Surface X-ray Scattering; 2) Solid Surface X-ray Scattering; 3) Time-Resolved Crystallography; 4) Micro-Crystal Diffraction; 5) Small and Wide-angle X-ray Scattering. The data archive referenced here contains data for various components along the beamline within the First Optics Enclosure and is intended to be input or parameter data. See the Science Nuggets at http://cars9.uchicago.edu/chemmat/pages/nuggets.html for leads to some of the research conducted at the ChemMatCARS beamline.

466

Interferometric phase detection at x-ray energies via Fano resonance control  

E-Print Network [OSTI]

Modern x-ray light sources promise access to structure and dynamics of matter in largely unexplored spectral regions. However, the desired information is encoded in the light intensity and phase, whereas detectors register only the intensity. This phase problem is ubiquitous in crystallography and imaging, and impedes the exploration of quantum effects at x-ray energies. Here, we demonstrate phase-sensitive measurements characterizing the quantum state of a nuclear two-level system at hard x-ray energies. The nuclei are initially prepared in a superposition state. Subsequently, the relative phase of this superposition is interferometrically reconstructed from the emitted x-rays. Our results form a first step towards x-ray quantum state tomography, and provide new avenues for structure determination and precision metrology via x-ray Fano interference.

K. P. Heeg; C. Ott; D. Schumacher; H. -C. Wille; R. Röhlsberger; T. Pfeifer; J. Evers

2014-11-06T23:59:59.000Z

467

Characterization of microstructure with low frequency electromagnetic techniques  

SciTech Connect (OSTI)

A new computational method for characterizing the relationship between surface crystallography and electrical conductivity in anisotropic materials with low frequency electromagnetic techniques is presented. The method is discussed from the standpoint of characterizing the orientation of a single grain, as well as characterizing statistical information about grain ensembles in the microstructure. Large-area electron backscatter diffraction (EBSD) data was obtained and used in conjunction with a synthetic aperture approach to simulate the eddy current response of beta annealed Ti-6Al-4V. Experimental eddy current results are compared to the computed eddy current approximations based on electron backscatter diffraction (EBSD) data, demonstrating good agreement. The detectability of notches in the presence of noise from microstructure is analyzed with the described simulation method and advantages and limitations of this method are discussed relative to other NDE techniques for such analysis.

Cherry, Matthew R.; Sathish, Shamachary [University of Dayton Research Institute, Structural Integrity Division, 300 College Park, Dayton, OH 45469-0020 (United States); Pilchak, Adam L.; Blodgett, Mark P. [Air Force Research Laboratory, Materials and Manufacturing Directorate (AFRL/RXCM), 2230 10th St., WPAFB, OH 45433 (United States); Cherry, Aaron J. [Southwest Ohio Council for Higher Education, 3155 Research Blvd., Suite 204, Dayton, OH 45420-4015 (United States)

2014-02-18T23:59:59.000Z

468

Oxidation of Annelated Diarylamines: Analysis of Reaction Pathways to Nitroxide Diradical and Spirocyclic Products  

SciTech Connect (OSTI)

Oxidation of diaryldiamine 2, a tetrahydrodiazapentacene derivative, provides diarylnitroxide diradical 1 accompanied by an intermediate nitroxide monoradical and a multitude of isolable diamagnetic products. DFT-computed tensors for EPR spectra and paramagnetic {sup 1}H NMR isotropic shifts for nitroxide diradical 1 show good agreement with the experimental EPR spectra in rigid matrices and paramagnetic {sup 1}H NMR spectra in solution, respectively. Examination of the diamagnetic products elucidates their formation via distinct pathways involving C-O bond-forming reactions, including Baeyer-Villiger-type oxidations. An unusual diiminoketone structure and two spirocyclic structures of the predominant diamagnetic products are confirmed by either X-ray crystallography or correlations between DFT-computed and experimental spectroscopic data such as {sup 1}H, {sup 13}C, and {sup 15}N NMR chemical shifts and electronic absorption spectra.

Rajca, Andrzej; Shiraishi, Kouichi; Boraty; #324; ski, Przemyslaw J.; Pink, Maren; Miyasaka, Makoto; Rajca, Suchada (UNL); (Indiana)

2012-02-06T23:59:59.000Z

469

Protein conformational dynamics in the mechanism of HIV-1 protease catalysis  

SciTech Connect (OSTI)

We have used chemical protein synthesis and advanced physical methods to probe dynamics-function correlations for the HIV-1 protease, an enzyme that has received considerable attention as a target for the treatment of AIDS. Chemical synthesis was used to prepare a series of unique analogues of the HIV-1 protease in which the flexibility of the 'flap' structures (residues 37-61 in each monomer of the homodimeric protein molecule) was systematically varied. These analogue enzymes were further studied by X-ray crystallography, NMR relaxation, and pulse-EPR methods, in conjunction with molecular dynamics simulations. We show that conformational isomerization in the flaps is correlated with structural reorganization of residues in the active site, and that it is preorganization of the active site that is a rate-limiting factor in catalysis.

Torbeev, Vladimir Yu.; Raghuraman, H.; Hamelberg, Donald; Tonelli, Marco; Westler, William M.; Perozo, Eduardo; Kent, Stephen B.H. (GSU); (UW); (UC)

2013-09-17T23:59:59.000Z

470

Development and Applications Of Photosensitive Device Systems To Studies Of Biological And Organic Materials  

SciTech Connect (OSTI)

The primary focus of the grant is the development of new x-ray detectors for biological and materials work at synchrotron sources, especially Pixel Array Detectors (PADs), and the training of students via research applications to problems in biophysics and materials science using novel x-ray methods. This Final Progress Report provides a high-level overview of the most important accomplishments. These major areas of accomplishment include: (1) Development and application of x-ray Pixel Array Detectors; (2) Development and application of methods of high pressure x-ray crystallography as applied to proteins; (3) Studies on the synthesis and structure of novel mesophase materials derived from block co-polymers.

Gruner, Sol

2012-01-20T23:59:59.000Z

471

Single molecule imaging with longer x-ray laser pulses  

E-Print Network [OSTI]

In serial femtosecond crystallography, x-ray laser pulses do not need to outrun all radiation damage processes because Bragg diffraction exceeds the damage-induced background scattering for longer pulses ($\\sim$ 50--100 fs). This is due to a "self-gating pulse" effect whereby damage terminates Bragg diffraction prior to the pulse completing its passage through the sample, as if that diffraction were produced by a shorter pulse of equal fluence. We show here that a similar gating effect applies to single molecule diffraction with respect to spatially uncorrelated damage processes like ionization and ion diffusion. The effect is clearly seen in calculations of the diffraction contrast, by calculating the diffraction of average structure separately to the diffraction from statistical fluctuations of the structure due to damage ("damage noise"). Our results suggest that sub-nanometer single molecule imaging with longer pulses, like those produced at currently operating facilities, should not yet be ruled out. The...

Martin, Andrew V; Caleman, Carl; Quiney, Harry M

2015-01-01T23:59:59.000Z

472

Purification of chaperonins.  

SciTech Connect (OSTI)

The availability of protein samples of sufficient quality and in sufficient quantity is a driving force in biology and biotechnology. Protein samples that are free of critical contaminants are required for specific assays. Large amounts of highly homogeneous and reproducible material are needed for crystallography and nuclear magnetic resonance studies of protein structure. Protein-based therapeutic factors used in human medicine must not contain any contaminants that might interfere with treatment. The roles played by molecular chaperones in protein folding and in many cellular processes make these proteins very attractive candidates as biochemical reagents, and the class of chaperones called chaperonins is one of the most important candidates. Methods for successfully purifying chaperonins are needed to advance the field of chaperonin-mediated protein folding. This article outlines the strategies and methods used to obtain pure chaperonin samples from different biological sources. The objective is to help new researchers obtain better quality samples of chaperonins from many new organisms.

Quaite-Randall, F.; Joachimiak, A.; Center for Mechanistic Biology and Biotechnology

1999-01-01T23:59:59.000Z

473

Density, porosity, mineralogy, and internal structure of cosmic dust and alteration of its properties during high velocity atmospheric entry  

E-Print Network [OSTI]

X-ray microtomography (XMT), X-ray diffraction (XRD) and magnetic hysteresis measurements were used to determine micrometeorite internal structure, mineralogy, crystallography, and physical properties at ~{\\mu}m resolution. The study samples include unmelted, partially melted (scoriaceous) and completely melted (cosmic spherules) micrometeorites. This variety not only allows comparison of the mineralogy and porosity of these three micrometeorite types, but also reveals changes in meteoroid properties during atmospheric entry at various velocities. At low entry velocities, meteoroids do not melt, and their physical properties do not change. The porosity of unmelted micrometeorites varies considerably (0-12%) with one friable example having porosity around 50%. At higher velocities, the range of meteoroid porosity narrows, but average porosity increases (to 16-27%) due to volatile evaporation and partial melting (scoriaceous phase). Metal distribution seems to be mostly unaffected at this stage. At even higher ...

Kohout, T; Suuronen, J -P; Rochette, P; Hutzler, A; Gattacceca, J; Skála, D D Badjukov R; Böhmová, V; ?uda, J

2014-01-01T23:59:59.000Z

474

Crystallization Process of Protein Rv0731c from Mycobacterium Tuberculosis for a Successful Atomic Resolution Crystal Structure at 1.2 Angstrom  

SciTech Connect (OSTI)

Proteins are bio-macromolecules consisting of basic 20 amino acids and have distinct three-dimensional folds. They are essential parts of organisms and participate in every process within cells. Proteins are crucial for human life, and each protein within the body has a specific function, such as antibodies, contractile proteins, enzymes, hormonal proteins, structural proteins, storage proteins and transport proteins. Determining three-dimensional structure of a protein can help researchers discover the remarkable protein folding, binding site, conformation and etc, in order to understand well of protein interaction and aid for possible drug design. The research on protein structure by X-ray protein crystallography carried by Li-Wei Hung's research group in the Physical Bioscience Division at Lawrence Berkeley National Laboratory (LBNL) is focusing on protein crystallography. The research in this lab is in the process of from crystallizing the proteins to determining the three dimensional crystal structures of proteins. Most protein targets are selected from Mycobacterium Tuberculosis. TB (Tuberculosis) is a possible fatal infectious disease. By studying TB target protein can help discover antituberculer drugs, and find treatment for TB. The high-throughput mode of crystallization, crystal harvesting, crystal screening and data collection are applied to the research pipeline (Figure 1). The X-ray diffraction data by protein crystals can be processed and analyzed to result in a three dimensional representation of electron density, producing a detailed model of protein structure. Rv0731c is a conserved hypothetical protein with unknown function from Mycobacterium Tuberculosis. This paper is going to report the crystallization process and brief structure information of Rv0731c.

Zhu, Liang Cong

2009-06-08T23:59:59.000Z

475

Effect of Li{sub 2}SO{sub 4} addition on structure and ionic conductivity of lithium borosilicotitanate glasses  

SciTech Connect (OSTI)

Lithium borosilicotitanate glasses containing Li{sub 2}SO{sub 4} were prepared by melt quenching technique. Electrical conductivity, density, molar volume and glass transition temperature T{sub g} for all the glass samples were measured. IR spectroscopy was used for structural studies of these glasses in the range from 400 to 2000 cm{sub ?1}. The conductivity of the Li{sub 2}SO{sub 4} containing glasses was found to be half an order higher than the base glass. The electrical conductivity was interpreted from the point of view of glass structure which suggests that an enhancement in conductivity is due to the incorporation of Li{sub 2}SO{sub 4} in the macromolecular network. The molar volume and glass transition temperature T{sub g} results are found to be in good correlation with conductivity results.

Satpute, N. S., E-mail: nspaighanp@gmail.com [Department of Applied Physics, Visvesvaraya National Institute of Technology, Nagpur-440010 (India); Deshpande, A. V. [Department of Applied Physics, Dr. Babasaheb Ambedkar College of Engineering and Research, Nagpur- 441110 (India)

2014-04-24T23:59:59.000Z

476

Influence of co-attached aromatics on the thermolysis of surface-immobilized 1,3-diphenylpropane  

SciTech Connect (OSTI)

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

477

Using a conformation-dependent stereochemical library improves crystallographic refinement of proteins  

SciTech Connect (OSTI)

The major macromolecular crystallographic refinement packages restrain models to ideal geometry targets defined as single values that are independent of molecular conformation. However, ultrahigh-resolution X-ray models of proteins are not consistent with this concept of ideality and have been used to develop a library of ideal main-chain bond lengths and angles that are parameterized by the {phi}/{psi} angle of the residue [Berkholz et al. (2009), Structure, 17, 1316-1325]. Here, it is first shown that the new conformation-dependent library does not suffer from poor agreement with ultrahigh-resolution structures, whereas current libraries have this problem. Using the TNT refinement package, it is then shown that protein structure refinement using this conformation-dependent library results in models that have much better agreement with library values of bond angles with little change in the R values. These tests support the value of revising refinement software to account for this new paradigm.

Tronrud, Dale E.; Berkholz, Donald S.; Karplus, P. Andrew (Oregon State U.)

2010-07-02T23:59:59.000Z

478

Molecular Science Research Center, 1991 annual report  

SciTech Connect (OSTI)

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

479

Multiscale approaches to protein-mediated interactions between membranes - Relating microscopic and macroscopic dynamics in radially growing adhesions  

E-Print Network [OSTI]

Macromolecular complexation leading to coupling of two or more cellular membranes is a crucial step in a number of biological functions of the cell. While other mechanisms may also play a role, adhesion always involves the fluctuations of deformable membranes, the diffusion of proteins and the molecular binding and unbinding. Because these stochastic processes couple over a multitude of time and length scales, theoretical modeling of membrane adhesion has been a major challenge. Here we present an effective Monte Carlo scheme within which the effects of the membrane are integrated into local rates for molecular recognition. The latter step in the Monte Carlo approach enables us to simulate the nucleation and growth of adhesion domains within a system of the size of a cell for tens of seconds without loss of accuracy, as shown by comparison to $10^6$ times more expensive Langevin simulations. To perform this validation, the Langevin approach was augmented to simulate diffusion of proteins explicitly, together ...

Bihr, Timo; Smith, Ana-Suncana

2015-01-01T23:59:59.000Z

480

Bayesian field theoretic reconstruction of bond potential and bond mobility in single molecule force spectroscopy  

E-Print Network [OSTI]

Quantifying the forces between and within macromolecules is a necessary first step in understanding the mechanics of molecular structure, protein folding, and enzyme function and performance. In such macromolecular settings, dynamic single-molecule force spectroscopy (DFS) has been used to distort bonds. The resulting responses, in the form of rupture forces, work applied, and trajectories of displacements, have been used to reconstruct bond potentials. Such approaches often rely on simple parameterizations of one-dimensional bond potentials, assumptions on equilibrium starting states, and/or large amounts of trajectory data. Parametric approaches typically fail at inferring complex-shaped bond potentials with multiple minima, while piecewise estimation may not guarantee smooth results with the appropriate behavior at large distances. Existing techniques, particularly those based on work theorems, also do not address spatial variations in the diffusivity that may arise from spatially inhomogeneous coupling to...

Chang, Joshua C; Chou, Tom

2015-01-01T23:59:59.000Z

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.


481

Studies of coupled chemical and catalytic coal conversion methods  

SciTech Connect (OSTI)

The objective of this research was to convert coal into a soluble substance under mild conditions. The strategy involved two steps, first to breakdown the macromolecular network of coal, and second to add hydrogen catalytically. We investigated different basic reagents that could, in priciple, break down coal's structure and alkylation strategies that might enhance its solubility. We examined O- and C-alkylation, the importance of the strength of the base, the character of the added alkyl groups and other reaction parameters. This work provided new information concerning the way in which hydrogen bonding, polarization interactions between aromatic structures and covalent bonding could be disrupted and solubility enhanced. The objective of our research was to explore new organochromium chemistry that might be feasible for the hydrogenation of coal under mild conditions.

Stock, L.M.; Chatterjee, K.; Cheng, C.; Ettinger, M.; Flores, F.; Jiralerspong, S.; Miyake, M.; Muntean, J.

1991-12-01T23:59:59.000Z

482

Studies of coupled chemical and catalytic coal conversion methods  

SciTech Connect (OSTI)

The objective of this research was to convert coal into a soluble substance under mild conditions. The strategy involved two steps, first to breakdown the macromolecular network of coal, and second to add hydrogen catalytically. We investigated different basic reagents that could, in priciple, break down coal`s structure and alkylation strategies that might enhance its solubility. We examined O- and C-alkylation, the importance of the strength of the base, the character of the added alkyl groups and other reaction parameters. This work provided new information concerning the way in which hydrogen bonding, polarization interactions between aromatic structures and covalent bonding could be disrupted and solubility enhanced. The objective of our research was to explore new organochromium chemistry that might be feasible for the hydrogenation of coal under mild conditions.

Stock, L.M.; Chatterjee, K.; Cheng, C.; Ettinger, M.; Flores, F.; Jiralerspong, S.; Miyake, M.; Muntean, J.

1991-12-01T23:59:59.000Z

483

Temperature effects on chemical structure and motion in coal. Final report  

SciTech Connect (OSTI)

The objective of this project was to apply recently developed, state-of-the-art nuclear magnetic resonance (NMR) techniques to examine in situ changes in the chemical structure and molecular/macromolecular motion in coal as the temperature is increased above room temperature. Although alterations in the chemical structure of coal have been studied previously by {sup 13}C NMR, using quenched samples, the goal of this project was to examine these chemical structural changes, and changes in molecular/macromolecular mobility that may precede or accompany the chemical changes, at elevated temperatures, using modern {sup 13}C and {sup 1}H NMR techniques, especially {sup 1}H dipolar-dephasing techniques and related experiments pioneered in the laboratory for examining pyridine-saturated coals. This project consisted of the following four primary segments and related efforts on matters relevant to the first four tasks. (1) {sup 1}H NMR characterization of coal structure and mobility as a function of temperature variation over a temperature range (30--240 C) for which substantial chemical transformations were not anticipated. (2) {sup 1}H NMR characterization of coal structure, mobility and conversion as a function of temperature variation over a temperature range (240--500 C) for which chemical transformations of coal are known to occur. (3) {sup 13}C NMR investigation of coal structure/mobility as a function of temperature over a temperature range (30--240 C) for which substantial chemical transformations were not anticipated. (4) {sup 13}C NMR investigation of coal structure, dynamics and conversion as a function of temperature variation over a range (240--500 C) for which chemical transformations of coal are known to occur. (5) Related matters relevant to the first four tasks: (a) {sup 1}H CRAMPS NMR characterization of oil shales and their kerogen concentrates; and (b) improved quantitation in {sup 13}C MAS characterization of coals.

Maciel, G.E.

1996-09-30T23:59:59.000Z

484

Association between As and Cu renal cortex accumulation and physiological and histological alterations after chronic arsenic intake  

SciTech Connect (OSTI)

Arsenic (As) is one of the most abundant hazards in the environment and it is a human carcinogen. Related to excretory functions, the kidneys in humans, animal models or naturally exposed fauna, are target organs for As accumulation and deleterious effects. Previous studies carried out using X-ray fluorescence spectrometry by synchrotron radiation (SR-{mu}XRF) showed a high concentration of As in the renal cortex of chronically exposed rats, suggesting that this is a suitable model for studies on renal As accumulation. This accumulation was accompanied by a significant increase in copper (Cu) concentration. The present study focused on the localization of these elements in the renal cortex and their correlation with physiological and histological As-related renal effects. Experiments were performed on nine male Wistar rats, divided into three experimental groups. Two groups received 100 {mu}g/ml sodium arsenite in drinking water for 60 and 120 consecutive days, respectively. The control group received water without sodium arsenite (<50 ppb As). For histological analysis, 5-{mu}m-thick sections of kidneys were stained with hematoxylin and eosin. Biochemical analyses were used to determine concentrations of plasma urea and creatinine. The As and Cu mapping were carried out by SR-{mu}XRF using a collimated white synchrotron spectrum (300 {mu}mx300 {mu}m) on kidney slices (2 mm thick) showing As and Cu co-distribution in the renal cortex. Then, renal cortical slices (100 {mu}m thick) were scanned with a focused white synchrotron spectrum (30 {mu}mx30 {mu}m). Peri-glomerular accumulation of As and Cu at 60 and 120 days was found. The effects of 60 days of arsenic consumption were seen in a decreased Bowman's space as well as a decreased plasma blood urea nitrogen (BUN)/creatinine ratio. Major deleterious effects; however, were seen on tubules at 120 days of exposition. This study supports the hypothesis that tubular accumulation of As-Cu may have some bearing on the arsenic-associated nephrotoxicological process.

Rubatto Birri, Paolo N. [Instituto de Biologia Celular, Facultad de Ciencias Medicas (FCM), Universidad Nacional de Cordoba (UNC), Ciudad Universitaria, Cordoba (Argentina)] [Instituto de Biologia Celular, Facultad de Ciencias Medicas (FCM), Universidad Nacional de Cordoba (UNC), Ciudad Universitaria, Cordoba (Argentina); Perez, Roberto D. [Facultad de Matematica, Astronomia y Fisica (FAMAF-UNC), Ciudad Universitaria, Cordoba (Argentina) [Facultad de Matematica, Astronomia y Fisica (FAMAF-UNC), Ciudad Universitaria, Cordoba (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnologicas (CONICET), Buenos Aires (Argentina); Cremonezzi, David [Catedra Anatomia Patologica, Hospital Nacional de Clinicas (FCM-UNC), Cordoba (Argentina)] [Catedra Anatomia Patologica, Hospital Nacional de Clinicas (FCM-UNC), Cordoba (Argentina); Perez, Carlos A. [Laboratorio Nacional de Luz Sincrotron (LNLS), Linha D09B-XRF, Campinas SP (Brazil)] [Laboratorio Nacional de Luz Sincrotron (LNLS), Linha D09B-XRF, Campinas SP (Brazil); Rubio, Marcelo [Facultad de Matematica, Astronomia y Fisica (FAMAF-UNC), Ciudad Universitaria, Cordoba (Argentina) [Facultad de Matematica, Astronomia y Fisica (FAMAF-UNC), Ciudad Universitaria, Cordoba (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnologicas (CONICET), Buenos Aires (Argentina); Bongiovanni, Guillermina A., E-mail: gbongiovanni@conicet.gov.ar [Consejo Nacional de Investigaciones Cientificas y Tecnologicas (CONICET), Buenos Aires (Argentina); Laboratorio de Investigaciones Bioquimicas, Quimicas y de Medio Ambiente (LIBIQUIMA), Consejo Nacional de Investigaciones Cientificas y Tecnologicas (CONICET), Universidad Nacional del Comahue, Buenos Aires 1400, CP 8300 Neuquen (Argentina)

2010-07-15T23:59:59.000Z

485

CALIBRATION OF THE MID-INFRARED TULLY-FISHER RELATION  

SciTech Connect (OSTI)

Distance measures on a coherent scale around the sky are required to address the outstanding cosmological problems of the Hubble constant and of departures from the mean cosmic flow. The correlation between galaxy luminosities and rotation rates can be used to determine the distances to many thousands of galaxies in a wide range of environments potentially out to 200 Mpc. Mid-infrared (3.6 {mu}m) photometry with the Spitzer Space Telescope is particularly valuable as a source of luminosities because it provides products of uniform quality across the sky. From a perch above the atmosphere, essentially the total magnitude of targets can be registered in exposures of a few minutes. Extinction is minimal and the flux is dominated by the light from old stars, which is expected to correlate with the mass of the targets. In spite of the superior photometry, the correlation between mid-infrared luminosities and rotation rates extracted from neutral hydrogen profiles is slightly degraded from the correlation found with I-band luminosities. A color correction recovers a correlation that provides comparable accuracy to that available at the I band ({approx}20% 1{sigma} in an individual distance) while retaining the advantages identified above. Without color correction, the relation between linewidth and [3.6] magnitudes is M {sup b,i,k,a}{sub [3.6]} = -20.34 - 9.74(logW{sup i}{sub mx} - 2.5). This description is found with a sample of 213 galaxies in 13 clusters that define the slope and 26 galaxies with Cepheid or tip of the red giant branch distances that define the zero point. A color-corrected parameter M{sub C{sub [{sub 3{sub .{sub 6{sub ]}}}}}} is constructed that has reduced scatter: M{sub C{sub [{sub 3{sub .{sub 6{sub ]}}}}}}= -20.34 - 9.13 (logW{sub mx}{sup i}-2.5). Consideration of the seven calibration clusters beyond 50 Mpc, outside the domain of obvious peculiar velocities, provides a preliminary Hubble constant estimate of H{sub 0} = 74 {+-} 4 km s{sup -1} Mpc{sup -1}.

Sorce, Jenny G.; Courtois, Helene M. [Institut de Physique Nucleaire, Universite Claude Bernard Lyon I, Lyon (France); Tully, R. Brent [Institute for Astronomy, University of Hawaii, 2680 Woodlawn Drive, HI 96822 (United States); Seibert, Mark; Scowcroft, Victoria; Freedman, Wendy L.; Madore, Barry F.; Persson, S. Eric; Monson, Andy [Carnegie Observatories, 813 Santa Barbara Street, Pasadena, CA 91101 (United States); Rigby, Jane, E-mail: j.sorce@ipnl.in2p3.fr [Observational Cosmology Lab, NASA Goddard Space Flight Center, Greenbelt, MD 20771 (United States)

2013-03-10T23:59:59.000Z

486

Semi-Inclusive Charged-Pion Electroproduction off Protons and Deuterons: Cross Sections, Ratios and Access to the Quark-Parton Model at Low Energies  

DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

A large set of cross sections for semi-inclusive electroproduction of charged pions (?±) from both proton and deuteron targets was measured. The data are in the deep-inelastic scattering region with invariant mass squared W2 > 4 GeV2 and range in four-momentum transfer squared 2 2 2, and cover a range in the Bjorken scaling variable 0.2 t2 2. The invariant mass that goes undetected, Mx or W', is in the nucleon resonance region, W' t2 dependences of several ratios (the ratios of favored-unfavored fragmentation functions, charged pion ratios, deuteron-hydrogen and aluminum-deuteron ratios for ?+ and ?-) have been studied. The ratios are found to be in good agreement with expectations based upon a high-energy quark-parton model description. We find the azimuthal dependences to be small, as compared to exclusive pion electroproduction, and consistent with theoretical expectations based on tree-level factorization in terms of transverse-momentum-dependent parton distribution and fragmentation functions. In the context of a simple model, the initial transverse momenta of d quarks are found to be slightly smaller than for u quarks, while the transverse momentum width of the favored fragmentation function is about the same as for the unfavored one, and both fragmentation widths are larger than the quark widths.

Asaturyan, R; Mkrtchyan, H; Navasardyan, T; Tadevosyan, V; Adams, G S; Ahmidouch, A; Angelescu, T; Arrington, J; Asaturyan, A; Baker, O K; Benmouna, N; Bertoncini, C; Blok, H P; Boeglin, W U; Bosted, P E; Breuer, H; Christy, M E; Connell, S H; Cui, Y; Dalton, M M; Danagoulian, S; Day, D; Dunne, J A; Dutta, D; El Khayari, N; Fenker, H C; Frolov, V V; Gan, L; Gaskell, D; Hafidi, K; Hinton, W; Holt, R J; Horn, T; Huber, G M; Hungerford, E; Jiang, X; Jones, M; Joo, K; Kalantarians, N; Kelly, J J; Keppel, C E; Kubarovsky, V; Li, Y; Liang, Y; Mack, D; Malace, S P; Markowitz, P; McGrath, E; McKee, P; Meekins, D G; Mkrtchyan, A; Moziak, B; Niculescu, G; Niculescu, I; Opper, A K; Ostapenko, T; Reimer, P E; Reinhold, J; Roche, J; Rock, S E; Schulte, E; Segbefia, E; Smith, C; Smith, G R; Stoler, P; Tang, L; Ungaro, M; Uzzle, A; Vidakovic, S; Villano, A; Vulcan, W F; Wang, M; Warren, G; Wesselmann, F R; Wojtsekhowski, B; Wood, S A; Xu, C; Yuan, L

2012-01-11T23:59:59.000Z

487

Organoactinide chemistry: synthesis, structure, and solution dynamics  

SciTech Connect (OSTI)

This thesis considers three aspects of organoactinide chemistry. In chapter one, a bidentate phosphine ligand was used to kinetically stabilize complexes of the type Cp/sub 2/MX/sub 2/. Ligand redistribution processes are present throughout the synthetic work, as has often been observed in uranium cyclopentadienyl chemistry. The effects of covalent M-L bonding on the solution and solid state properties of U(III) coordination complexes are considered. In particular, the nature of the more subtle interaction between the metal and the neutral ligand are examined. Using relative basicity data obtained in solution, and solid state structural data (and supplemented by gas phase photoelectron measurements), it is demonstrated that the more electron rich U(III) centers engage in significant U ..-->.. L ..pi..-donation. Trivalent uranium is shown to be capable of acting either as a one- or two-electron reducing agent toward a wide variety of unsaturated organic and inorganic molecules, generating molecular classes unobtainable via traditional synthetic approaches, as well as offering an alternative synthetic approach to molecules accessible via metathesis reactions. Ligand redistribution processes are again observed, but given the information concerning ligand lability, this reactivity pattern is applied to the synthesis of pure materials inaccessible from redox chemistry. 214 refs., 33 figs., 10 tabs.

Brennan, J.G.

1985-12-01T23:59:59.000Z

488

Effects of three intensities of grazing by domestic livestock and deer under yearlong grazing  

E-Print Network [OSTI]

UN A ?\\ j\\ ?\\ j[ j\\ cvl MX AAS O \\ n O m ? ? ? ? ? On IS- vO _ 4 nO c n On cn vO OO CM CO CM \\0 On 3 .rH MD ?H... rH IS- O CM O N 4 ^ n 0 ? ? ? ? rM rM UN 0 On 7 5 7 5 51 ?t u ? MJOO H v T ) \\ 0 UN ? 05 ? o n i_ t \\ O ? ? ? On HX ? ? ft) h C oJ ?$? vO c o VO CO 7 5 ft) ft) ft) 7 5 5 7 5 7 77 0.* UN 6 C CO m 7 5 . ?? p( J-h N...

Vallentine, John Franklin

1959-01-01T23:59:59.000Z

489

Strain and electric field induced electronic properties of two-dimensional hybrid bilayers of transition-metal dichalcogenides  

SciTech Connect (OSTI)

Tunability of the electronic properties of two-dimensional bilayer hetero structures of transition-metal dichalcogenides (i.e., MX{sub 2}-M?X?{sub 2} with (M, M??=?Mo, W; X, X??=?S, Se) is investigated. Application of both strain and electric field is found to modify the band gap and carrier effective mass in the hybrid bilayers considered. The calculated results based on density functional theory suggest that the tensile strain considerably changes the band gap of semiconducting bilayers; it makes the band gap to be indirect, and later initiates the semiconductor-to-metal transition. Application of the external electric fields, on the other hand, shows asymmetric variation in the band gap leading to the closure of the gap at about 0.5–1.0?V/Å. Tuning of the band gap and carrier effective mass in such a controlled manner makes the hybrid bilayers of transition metal dichalcogenides to be promising candidates for application in electronic devices at nanoscale.

Sharma, Munish, E-mail: munishsharmahpu@live.com, E-mail: pk-ahluwalia7@yahoo.com; Kumar, Ashok; Ahluwalia, P. K., E-mail: munishsharmahpu@live.com, E-mail: pk-ahluwalia7@yahoo.com [Department of Physics, Himachal Pradesh University, Shimla 171005 (India); Pandey, Ravindra [Department of Physics, Michigan Technological University, Houghton, Michigan 49931 (United States)

2014-08-14T23:59:59.000Z

490

Moessbauer and Positron Annihilation Spectroscopy Applied to WWER-1000 RPV Steels  

SciTech Connect (OSTI)

Moessbauer spectroscopy (MS) and Positron annihilation spectroscopy (PAS) were applied in the evaluation of the microstructure parameters and degradation processes of nuclear reactor pressure vessel (RPV) steel surveillance specimens. Study was oriented to the material investigation of Russian WWER-1000 steels (15Kh2MNFAA and 12Kh2N2MAA) with higher Ni content (1.26 wt.% in base metal and 1.7 wt.% in weld). For comparison, the WWER-440 weld metal (Sv10KhMFT) without Ni was measured too. Specimens were studied in as received form, after irradiation in LVR-15 experimental reactor to the neutron fluence F(E>0.5 MeV) = 1.47x1024 m-2s-1 and after annealing process in vacuum at 475 deg. C/2h. Changes due to different chemical composition and due to irradiation were registered using MS. Post-irradiation thermal treatment and annealing of defects was well detected by different PAS techniques. Results confirm the hypothesis that Ni affects size (decrease) and distribution (more homogeneous) of the Cu- and P-rich clusters and MxCx carbides.

Slugen, V.; Lipka, J. [Department of Nuclear Physics and Technology, Slovak University of Technology, Ilkovicova 3, 81219 Bratislava (Slovakia); Zeman, A. [Department of Nuclear Physics and Technology, Slovak University of Technology, Ilkovicova 3, 81219 Bratislava (Slovakia); Institute for Energy, Joint Research Centre of the European Commission, P.O. Box 2, 1755ZG Petten (Netherlands); Debarberis, L. [Institute for Energy, Joint Research Centre of the European Commission, P.O. Box 2, 1755ZG Petten (Netherlands)

2005-04-26T23:59:59.000Z

491

Droplet minimizers for the Gates-Lebowitz-Penrose free energy functional  

E-Print Network [OSTI]

We study the structure of the constrained minimizers of the Gates-Lebowitz-Penrose free-energy functional ${\\mathcal F}_{\\rm GLP}(m)$, non-local functional of a density field $m(x)$, $x\\in {\\mathcal T}_L$, a $d$-dimensional torus of side length $L$. At low temperatures, ${\\mathcal F}_{\\rm GLP}$ is not convex, and has two distinct global minimizers, corresponding to two equilibrium states. Here we constrain the average density $L^{-d}\\int_{{\\cal T}_L}m(x)\\dd x$ to be a fixed value $n$ between the densities in the two equilibrium states, but close to the low density equilibrium value. In this case, a "droplet" of the high density phase may or may not form in a background of the low density phase, depending on the values $n$ and $L$. We determine the critical density for droplet formation, and the nature of the droplet, as a function of $n$ and $L$. The relation between the free energy and the large deviations functional for a particle model with long-range Kac potentials, proven in some cases, and expected to be true in general, then provides information on the structure of typical microscopic configurations of the Gibbs measure when the range of the Kac potential is large enough.

E. A. Carlen; M. C. Carvalho; R. Esposito; J. L. Lebowitz; R. Marra

2009-05-21T23:59:59.000Z

492

Liquefaction of calcium-containing subbituminous coals and coals of lower rank  

DOE Patents [OSTI]

A process for the treatment of a calcium-containing subbituminous coal and coals of lower rank to form insoluble, thermally stable calcium salts which remain within the solids portions of the residue on liquefaction of the coal, thereby suppressing the formation scale, made up largely of calcium carbonate deposits, e.g., vaterite, which normally forms within the coal liquefaction reactor (i.e., coal liquefaction zone), e.g., on reactor surfaces, lines, auxiliary equipment and the like. A solution of a compound or salt characterized by the formula MX, where M is a Group IA metal of the Periodic Table of the Elements, and X is an anion which is capable of forming water-insoluble, thermally stable calcium compounds, is maintained in contact with a particulate coal feed sufficient to impregnate said salt or compound into the pores of the coal. On separation of the impregnated particulate coal from the solution, the coal can be liquefied in a coal liquefaction reactor (reaction zone) at coal liquefaction conditions without significant formation of vaterite or other forms of calcium carbonate on reactor surfaces, auxiliary equipment and the like; and the Group IA metal which remains within the liquefaction bottoms catalyzes the reaction when the liquefaction bottoms are subjected to a gasification reaction.

Gorbaty, Martin L. (Sanwood, NJ); Taunton, John W. (Seabrook, TX)

1980-01-01T23:59:59.000Z

493

Effects of a nonrigid, impermeable bottom on plane surface waves in shallow water  

E-Print Network [OSTI]

~& ~&0 ~e734. H~ +~%3+1 Jtt ePtt0 tt7 etta ~~e~K eett~e3ttX eq3 qptttatq3 ~otXttaaug, ARxttsg Z SIOXXVazaXSua Xemx MX um tt3ltlteh Xtt3tte~~ ?z 87N~ f g Xk'AXiX'tEXX 'XSGOM V ~XX IKVB atteg~~ eq3 3tt ptttt Oe%tj403ttX eq3 34 sttPR37XCSNf eq3 oeett3...eg 073ltt@ ttqttteses~'t'Q Pgtt Qe737tt0$0tt, Xtt3tttttt740g tttt7ttttteegQ XIRce ReO tt7eXXtttt V Xtte73eattq3ttg TePoR Xtttt73ettteq3ecl V ~ tttetq~ eq3 90 tte73tt47ttt7% clttt737Pttog Itto33ttg ZLV~%X ~X iLBVct gQXKO~ &CHEM +Xtt%%4 I~ 3+7q...

Gade, Herman Gerhard

2012-06-07T23:59:59.000Z

494

Ligand Lone-Pair Influence on Hydrocarbon C-H Activation: A Computational Perspective  

SciTech Connect (OSTI)

Mid to late transition metal complexes that break hydrocarbon C?H bonds by transferring the hydrogen to a heteroatom ligand while forming a metal?alkyl bond offer a promising strategy for C?H activation. Here we report a density functional (B3LYP, M06, and X3LYP) analysis of cis-(acac){sub 2}MX and TpM(L)X (M = Ir, Ru, Os, and Rh; acac = acetylacetonate, Tp = tris(pyrazolyl)borate; X = CH{sub 3}, OH, OMe, NH{sub 2}, and NMe{sub 2}) systems for methane C?H bond activation reaction kinetics and thermodynamics. We address the importance of whether a ligand lone pair provides an intrinsic kinetic advantage through possible electronic d{sub ?}?p{sub ?} repulsions for M?OR and M?NR{sub 2} systems versus M?CH{sub 3} systems. This involves understanding the energetic impact of the X ligand group on ligand loss, C?H bond coordination, and C?H bond cleavage steps as well as understanding how the nucleophilicity of the ligand X group, the electrophilicity of the transition metal center, and cis-ligand stabilization effect influence each of these steps. We also explore how spectator ligands and second- versus third-row transition metal centers impact the energetics of each of these C?H activation steps.

Ess, Daniel H; Gunnoe, T. Brent; Cundari, Thomas R; Goddard, William A; Periana, Roy A

2010-01-01T23:59:59.000Z

495

Conservation and solar energy program: congressional budget request, FY 1982  

SciTech Connect (OSTI)

Funding summaries are presented for the Conservation and Solar Energy Program funding information and program overview on energy conservation (Volume 7 of 7, DOE/CR-0011/2) are included for the Buildings and Community Systems, Industrial, Transportation; State and Local, Multi-Sector, Energy Impact Assistance, and Residential/Commercial retrofit programs. Funding information and program overviews on solar technology (Volume 2 of 7, DOE/CR-011/2) are included for Active and Passive Solar Heating and Cooling, Photovoltaics Energy Systems, Solar Thermal Power Systems, Biomass Energy Systems, Wind Energy Conversion Systems, Ocean Systems, Solar International Activities, Solar Information Systems, SERI Facility, MX-RES, Program Direction, and Alcohol Fuels programs. Information and overviews on energy production, demonstration, and distribution (Volume 6 of 7, DOE/CR-0011/2) are given for the solar program. A funding summary and a program overview are included for electrochemical and physical and chemical storage systems as appearing in DOE/CR-0011/2, Volume 3 of 7. Relevant tabulated data from the FY 1981. Request to the Congress are presented for Supplementals, Rescissions, and Deferrals. (MCW)

None

1981-01-01T23:59:59.000Z

496

Seed production of crimson clover as affected by fertilizers, boron and honey bees  

E-Print Network [OSTI]

~&n, go~ Rn+ sn ~~~~1 AM~ t eaK~~c~ a. i8 '~&a' 0:;" "+xM -jw im 'f+~x. +1' Ma&3 c=" &~L+Mx ~ Z9 ~q~Cwka %W~, ~~M~~ A'%i. -'M)Ai~ (XV) . M~539 SMM&Q 'Qg. v gQQCKVM 35 6. P. 'T?tCZ ~~ ~3 ~~~8 5'". gR d~'Q8 C, " &~A %H &U&&4% QL+i X~3X~A M ~z, . &-ihe9... ~ em~~ CC' M~ ~ ~V, 4'4%%4-Ifllt4S4% tf&4+~+We++%h+WK+pf~% V+ ~@~ ~ m~~~ eP K~~ ~~~ cP 4~ e~ ~ 3 ? 5 ' " . ~ K-~4& ~k 4+eemye@e k+e~eymectewe e~s~eiwkp' f~y 4'MV~~ @Z "PA'N~ 5+. +~ M~~+W Cp ~K gF 5. C IP%1 4 st+% ~ '4%&%%ft+W+, l'4'%44'%&@W%4$%~ 1...

Ford, Robert Norton

1952-01-01T23:59:59.000Z

497

Role of strain on electronic and mechanical response of semiconducting transition-metal dichalcogenide monolayers: An ab-initio study  

SciTech Connect (OSTI)

We characterize the electronic structure and elasticity of monolayer transition-metal dichalcogenides MX{sub 2} (M ?= ?Mo, W, Sn, Hf and X ?= ?S, Se, Te) based on 2H and 1T structures using fully relativistic first principles calculations based on density functional theory. We focus on the role of strain on the band structure and band alignment across the series of materials. We find that strain has a significant effect on the band gap; a biaxial strain of 1% decreases the band gap in the 2H structures, by as a much as 0.2 ?eV in MoS{sub 2} and WS{sub 2}, while increasing it for the 1T cases. These results indicate that strain is a powerful avenue to modulate their properties; for example, strain enables the formation of, otherwise impossible, broken gap heterostructures within the 2H class. These calculations provide insight and quantitative information for the rational development of heterostructures based on this class of materials accounting for the effect of strain.

Guzman, David M.; Strachan, Alejandro, E-mail: strachan@purdue.edu [School of Materials Engineering and Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907-2044 (United States)

2014-06-28T23:59:59.000Z

498

Evaluation of dichalcogenide compounds as possible sorption reservoirs for thermionic converters  

SciTech Connect (OSTI)

Recently a metal matrix sorption reservoir (MMSR) was developed for use as a self-regulating internal cesium reservoir for thermionic converters. The MMSR contains powdered graphite in a sintered refractory metal matrix. This innovation opens up the possibility of using alternative intercalating compounds previously overlooked because they are typically only available in powder form. One such alternative is the general class of materials known as dichalcogenides of metals. The dichalcogenide compounds are of the form MX[sub 2] where M is a metal and X is either S, Se or Te. The dichalcogenides have the laminar structure required for intercalation and some have been shown to intercalate liquid metals under certain conditions. Selected refractory metal dichalcogenides have been evaluated as potential cesium sorption reservoirs in thermionic converters. Testing showed the majority of the dichalcogenides are not stable in the thermal environment of current Thermionic Fuel Element (TFE) designs. Of the seven compounds that can survive the high temperatures and vacuum, four are not compatible with the cesium vapor at converter temperatures. The three remaining dichalcogenide compounds suitable for use in thermionic converters did not intercalate cesium at typical converter operating conditions. The result of this work allow the continued effort towards developing an internal self-regulating cesium reservoir to be concentrated on graphite contained in MMSRs.

Garner, S.D.; Horner-Richardson, K.D. (Thermacore, Inc., 780 Eden Road, Lancaster, Pennsylvania 17601 (United States)); Kim, K.Y. (WL/POOC, Wright-Patterson AFB, Ohio 45433-6563 (United States))

1993-01-20T23:59:59.000Z

499

Synthesis and chemistry of cationic d sup 0 metal alkyl complexes  

SciTech Connect (OSTI)

The objective of this project is to develop new types of electrophilic metal alkyl complexes for catalytic C-H activation and olefin polymerization chemistry, and associated fundamental mechanistic studies. We have focused our efforts on four classes of early metal alkyl complexes: (1) cationic group 4 Cp{sub 2}M(R){sup +} complexes (1) which are active species in Cp{sub 2}MX{sub 2}-based Ziegler-Natta olefin polymerization catalyst systems and which catalyze productive C-H activation reactions of heterocycles, (2) neutral (dicarbollide)(Cp*)M(R) complexes (2) which are structurally are electronically very similar to 1, (3) half-sandwich complexes CpM(R){sub 2}(L){sub n}{sup +} which are highly coordinatively and electronically unsaturated, and (4) new group 5 (dicarbollide)(Cp)MR{sub 2} and (dicarbollide){sub 2} MR complexes which are more unsaturated than group 5 Cp{sub 2}M systems due to incorporation of the dicarbollide ligand.

Jordan, R.F.

1991-01-01T23:59:59.000Z

500

Synthesis and chemistry of cationic d{sup 0} metal alkyl complexes. Progress report, July 1988--May 1991  

SciTech Connect (OSTI)

The objective of this project is to develop new types of electrophilic metal alkyl complexes for catalytic C-H activation and olefin polymerization chemistry, and associated fundamental mechanistic studies. We have focused our efforts on four classes of early metal alkyl complexes: (1) cationic group 4 Cp{sub 2}M(R){sup +} complexes (1) which are active species in Cp{sub 2}MX{sub 2}-based Ziegler-Natta olefin polymerization catalyst systems and which catalyze productive C-H activation reactions of heterocycles, (2) neutral (dicarbollide)(Cp*)M(R) complexes (2) which are structurally are electronically very similar to 1, (3) half-sandwich complexes CpM(R){sub 2}(L){sub n}{sup +} which are highly coordinatively and electronically unsaturated, and (4) new group 5 (dicarbollide)(Cp)MR{sub 2} and (dicarbollide){sub 2} MR complexes which are more unsaturated than group 5 Cp{sub 2}M systems due to incorporation of the dicarbollide ligand.

Jordan, R.F.

1991-12-31T23:59:59.000Z