Sample records for macromolecular crystallography mx

  1. SMB, Macromolecular Crystallography

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

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  2. Resources for Macromolecular Crystallography | Advanced Photon...

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

    Review | Response BioSync: BioSync Home Synchrotron PDB Deposits APS Deposits by Year Resources for Macromolecular Crystallography Interactive Map beta | View Energy Ranges for all...

  3. Macromolecular Crystallography - Beamline facilities

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

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  4. In crystallo optical spectroscopy (icOS) as a complementary tool on the macromolecular crystallography beamlines of the ESRF

    SciTech Connect (OSTI)

    Stetten, David von; Giraud, Thierry; Carpentier, Philippe; Sever, Franc [European Synchrotron Radiation Facility, F-38043 Grenoble (France); Terrien, Maxime [Université Grenoble Alpes, IBS, F-38044 Grenoble (France); CNRS, IBS, F-38044 Grenoble (France); CEA, IBS, F-38044 Grenoble (France); Dobias, Fabien [European Synchrotron Radiation Facility, F-38043 Grenoble (France); Juers, Douglas H. [Whitman College, Walla Walla, WA 99362 (United States); Flot, David; Mueller-Dieckmann, Christoph; Leonard, Gordon A.; Sanctis, Daniele de [European Synchrotron Radiation Facility, F-38043 Grenoble (France); Royant, Antoine, E-mail: antoine.royant@ibs.fr [European Synchrotron Radiation Facility, F-38043 Grenoble (France); Université Grenoble Alpes, IBS, F-38044 Grenoble (France); CNRS, IBS, F-38044 Grenoble (France); CEA, IBS, F-38044 Grenoble (France)

    2015-01-01T23:59:59.000Z

    The current version of the Cryobench in crystallo optical spectroscopy facility of the ESRF is presented. The diverse experiments that can be performed at the Cryobench are also reviewed. The analysis of structural data obtained by X-ray crystallography benefits from information obtained from complementary techniques, especially as applied to the crystals themselves. As a consequence, optical spectroscopies in structural biology have become instrumental in assessing the relevance and context of many crystallographic results. Since the year 2000, it has been possible to record such data adjacent to, or directly on, the Structural Biology Group beamlines of the ESRF. A core laboratory featuring various spectrometers, named the Cryobench, is now in its third version and houses portable devices that can be directly mounted on beamlines. This paper reports the current status of the Cryobench, which is now located on the MAD beamline ID29 and is thus called the ID29S-Cryobench (where S stands for ‘spectroscopy’). It also reviews the diverse experiments that can be performed at the Cryobench, highlighting the various scientific questions that can be addressed.

  5. Instrumentation upgrades for the Macromolecular Crystallography beamlines

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

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  6. Introduction to Bayesian methods in macromolecular crystallography |

    Office of Scientific and Technical Information (OSTI)

    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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOn AprilAElectronicCurves | SciTech Connect Journal Article:SciTechSciTech Connect

  7. International summer school on macromolecular crystallographic computing. Final report

    SciTech Connect (OSTI)

    NONE

    1998-08-01T23:59:59.000Z

    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.

  8. Method for removing atomic-model bias in macromolecular crystallography

    SciTech Connect (OSTI)

    Terwilliger, Thomas C. (Santa Fe, NM)

    2006-08-01T23:59:59.000Z

    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.

  9. Operation of the Australian Store.Synchrotron for macromolecular crystallography

    SciTech Connect (OSTI)

    Meyer, Grischa R. [Monash University, Clayton, Victoria 3800 (Australia); Aragão, David; Mudie, Nathan J.; Caradoc-Davies, Tom T. [Australian Synchrotron, 800 Blackburn Road, Clayton, Victoria 3168 (Australia); McGowan, Sheena; Bertling, Philip J.; Groenewegen, David; Quenette, Stevan M. [Monash University, Clayton, Victoria 3800 (Australia); Bond, Charles S. [The University of Western Australia, 35 Stirling Highway, Crawley 6009, Western Australia (Australia); Buckle, Ashley M. [Monash University, Clayton, Victoria 3800 (Australia); Androulakis, Steve, E-mail: steve.androulakis@monash.edu [Monash Bioinformatics Platform, Monash University, Clayton, Victoria 3800 (Australia)

    2014-10-01T23:59:59.000Z

    The Store.Synchrotron service, a fully functional, cloud computing-based solution to raw X-ray data archiving and dissemination at the Australian Synchrotron, is described. The Store.Synchrotron service, a fully functional, cloud computing-based solution to raw X-ray data archiving and dissemination at the Australian Synchrotron, is described. The service automatically receives and archives raw diffraction data, related metadata and preliminary results of automated data-processing workflows. Data are able to be shared with collaborators and opened to the public. In the nine months since its deployment in August 2013, the service has handled over 22.4 TB of raw data (?1.7 million diffraction images). Several real examples from the Australian crystallographic community are described that illustrate the advantages of the approach, which include real-time online data access and fully redundant, secure storage. Discoveries in biological sciences increasingly require multidisciplinary approaches. With this in mind, Store.Synchrotron has been developed as a component within a greater service that can combine data from other instruments at the Australian Synchrotron, as well as instruments at the Australian neutron source ANSTO. It is therefore envisaged that this will serve as a model implementation of raw data archiving and dissemination within the structural biology research community.

  10. electronic reprint Crystallography

    E-Print Network [OSTI]

    Kemner, Ken

    of Crystallography Author(s) of this paper may load this reprint on their own web site or institutional repository-stream, starting with the temperature profile, is presented. Using silicon single crystals and flexible mounting loops, an approximate force/vibration profile of the cold-stream is obtained. Results indicate

  11. Cryogenic Neutron Protein Crystallography: routine methods and potential benefits

    SciTech Connect (OSTI)

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

    2014-01-01T23:59:59.000Z

    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.

  12. Nanostructure, Chemistry and Crystallography of Iron Nitride...

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

    Nanostructure, Chemistry and Crystallography of Iron Nitride Magnetic Materials by Ultra-High-Resolution Electron Microscopy and Related Methods DOE 2011 Vehicle Technologies...

  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. Chapter 7.32 Centura-MxP+ Chamber

    E-Print Network [OSTI]

    Healy, Kevin Edward

    P+ is a magnetically enhanced reactive ion etch chamber typically used for etching oxide and nitride patternsChapter 7.32 Centura-MxP+ Chamber (centura-mxp) (586) 1.0 Equipment Purpose 1.1 The Centura Mx in the wafer. 1.2 The Centura platform is a fully automated, multi-wafer capacity, multi-chamber system

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

    E-Print Network [OSTI]

    Gonzalez, Ana

    2008-01-01T23:59:59.000Z

    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

  16. Timely deposition of macromolecular structures is necessary for peer review

    SciTech Connect (OSTI)

    Joosten, Robbie P. [Netherlands Cancer Institute, Plesmanlaan 121, 1066 CX Amsterdam (Netherlands); Soueidan, Hayssam; Wessels, Lodewyk F. A. [Netherlands Cancer Institute, Plesmanlaan 121, 1066 CX, Amsterdam (Netherlands); Perrakis, Anastassis, E-mail: a.perrakis@nki.nl [Netherlands Cancer Institute, Plesmanlaan 121, 1066 CX Amsterdam (Netherlands)

    2013-12-01T23:59:59.000Z

    Deposition of crystallographic structures should be concurrent with or prior to manuscript submission for peer review, enabling validation and increasing reliability of the PDB. Most of the macromolecular structures in the Protein Data Bank (PDB), which are used daily by thousands of educators and scientists alike, are determined by X-ray crystallography. It was examined whether the crystallographic models and data were deposited to the PDB at the same time as the publications that describe them were submitted for peer review. This condition is necessary to ensure pre-publication validation and the quality of the PDB public archive. It was found that a significant proportion of PDB entries were submitted to the PDB after peer review of the corresponding publication started, and many were only submitted after peer review had ended. It is argued that clear description of journal policies and effective policing is important for pre-publication validation, which is key in ensuring the quality of the PDB and of peer-reviewed literature.

  17. Phenix - a comprehensive python-based system for macromolecular structure solution

    SciTech Connect (OSTI)

    Terwilliger, Thomas C [Los Alamos National Laboratory; Hung, Li - Wei [Los Alamos National Laboratory; Adams, Paul D [UC BERKELEY; Afonine, Pavel V [UC BERKELEY; Bunkoczi, Gabor [UNIV OF CAMBRIDGE; Chen, Vincent B [DUKE UNIV; Davis, Ian [DUKE UNIV; Echols, Nathaniel [LBNL; Headd, Jeffrey J [DUKE UNIV; Grosse Kunstleve, Ralf W [LBNL; Mccoy, Airlie J [UNIV OF CAMBRIDGE; Moriarty, Nigel W [LBNL; Oeffner, Robert [UNIV OF CAMBRIDGE; Read, Randy J [UNIV OF CAMBRIDGE; Richardson, David C [DUKE UNIV; Richardson, Jane S [DUKE UNIV; Zwarta, Peter H [LBNL

    2009-01-01T23:59:59.000Z

    Macromolecular X-ray crystallography is routinely applied to understand biological processes at a molecular level. However, significant time and effort are still required to solve and complete many of these structures because of the need for manual interpretation of complex numerical data using many software packages, and the repeated use of interactive three-dimensional graphics. Phenix has been developed to provide a comprehensive system for crystallographic structure solution with an emphasis on automation of all procedures. This has relied on the development of algorithms that minimize or eliminate subjective input, the development of algorithms that automate procedures that are traditionally performed by hand, and finally the development of a framework that allows a tight integration between the algorithms.

  18. MxEnergy Electric, Inc. (Pennsylvania) | Open Energy Information

    Open Energy Info (EERE)

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  19. Serial Femtosecond Crystallography of G Protein-Coupled Receptors

    SciTech Connect (OSTI)

    Liu, Liu

    2013-10-23T23:59:59.000Z

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

  20. Serial Femtosecond Crystallography of G Protein-Coupled Receptors

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

    Liu, Liu

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

  1. MICROFLUIDICS-BASED STRATEGIES FOR PROTEIN CRYSTALLOGRAPHY

    E-Print Network [OSTI]

    Quake, Stephen R.

    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

  2. Developing A Bitwise Macromolecular Assembly Simulator

    E-Print Network [OSTI]

    Xu, Zaikun

    2014-08-31T23:59:59.000Z

    below). The second class of reaction occurs between two intermediates and simultaneously forms more than one bond, Fig. 1c. As detailed in the extensive supplementary material for ref. (Deeds et al. (2012a)), the reverse rate of these reactions....C., Johnson, J. E. and Skolnick, J. (1999) Supramolecular self-assembly: molecular dynamics modeling of polyhedral shell formation, Comput Phys Commun, 121, 231-235. Saiz, L. and Vilar, J. M. G. (2006) Stochastic dynamics of macromolecular-assembly networks...

  3. Constructing Irregular Surfaces to Enclose Macromolecular Complexes for Mesoscale Modeling Using the Discrete

    E-Print Network [OSTI]

    Schlick, Tamar

    Constructing Irregular Surfaces to Enclose Macromolecular Complexes for Mesoscale Modeling Using proteins. DiSCO is generally applicable to other interesting macromolecular systems for which mesoscale

  4. 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnual SiteofEvaluatingGroup |JilinLu anMicrogreenMoon LakeMountainMunicipal EnergyMxEnergy Electric,

  5. 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnual SiteofEvaluatingGroup |JilinLu anMicrogreenMoon LakeMountainMunicipal EnergyMxEnergy

  6. Resilient data staging through MxN distributed transactions.

    SciTech Connect (OSTI)

    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

    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.

  7. 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.

  8. Macromolecular Crowding Directs Extracellular Matrix Organization and Mesenchymal Stem Cell Behavior

    E-Print Network [OSTI]

    Zeiger, Adam Scott

    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 ...

  9. Interpretation of ensembles created by multiple iterative rebuilding of macromolecular models

    SciTech Connect (OSTI)

    Terwilliger, Thomas C., E-mail: terwilliger@lanl.gov [Los Alamos National Laboratory, Mailstop M888, Los Alamos, NM 87545 (United States); Grosse-Kunstleve, Ralf W.; Afonine, Pavel V.; Adams, Paul D.; Moriarty, Nigel W.; Zwart, Peter [Lawrence Berkeley National Laboratory, One Cyclotron Road, Building 64R0121, Berkeley, CA 94720 (United States); Read, Randy J. [Department of Haematology, University of Cambridge, Cambridge CB2 0XY (United Kingdom); Turk, Dusan [Jozef Stefan Institute, Jamova 39, 1000 Ljubljana (Slovenia); Hung, Li-Wei [Los Alamos National Laboratory, Mailstop M888, Los Alamos, NM 87545 (United States)

    2007-05-01T23:59:59.000Z

    Heterogeneity in ensembles generated by independent model rebuilding principally reflects the limitations of the data and of the model-building process rather than the diversity of structures in the crystal. Automation of iterative model building, density modification and refinement in macromolecular crystallography has made it feasible to carry out this entire process multiple times. By using different random seeds in the process, a number of different models compatible with experimental data can be created. Sets of models were generated in this way using real data for ten protein structures from the Protein Data Bank and using synthetic data generated at various resolutions. Most of the heterogeneity among models produced in this way is in the side chains and loops on the protein surface. Possible interpretations of the variation among models created by repetitive rebuilding were investigated. Synthetic data were created in which a crystal structure was modelled as the average of a set of ‘perfect’ structures and the range of models obtained by rebuilding a single starting model was examined. The standard deviations of coordinates in models obtained by repetitive rebuilding at high resolution are small, while those obtained for the same synthetic crystal structure at low resolution are large, so that the diversity within a group of models cannot generally be a quantitative reflection of the actual structures in a crystal. Instead, the group of structures obtained by repetitive rebuilding reflects the precision of the models, and the standard deviation of coordinates of these structures is a lower bound estimate of the uncertainty in coordinates of the individual models.

  10. Enhanced visibility of hydrogen atoms by neutron crystallography on fully deuterated myoglobin

    E-Print Network [OSTI]

    Ramakrishnan, Venki

    determined by x-ray crystallography except at very high resolution. The scattering of neutrons by hydrogenEnhanced visibility of hydrogen atoms by neutron crystallography on fully deuterated myoglobin Fong and structurally, direct visu- alization of them by using crystallography is difficult. Neutron crys- tallography

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

    SciTech Connect (OSTI)

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

    1995-07-01T23:59:59.000Z

    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.

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

    E-Print Network [OSTI]

    Weston, Ken

    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

  13. Optimization of Parameters in Macromolecular Potential Energy Functions by Conformational Space Annealing

    E-Print Network [OSTI]

    Lee, Jooyoung

    Optimization of Parameters in Macromolecular Potential Energy Functions by Conformational Space´sk, Sobieskiego 18, 80-952 Gdan´sk, Poland ReceiVed: March 22, 2001; In Final Form: June 4, 2001 A general protocol for refining the parameters of macromolecular potential energy functions by optimizing criteria

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

    E-Print Network [OSTI]

    Miao, Jianwei "John"

    , 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

  15. Researchers using Industrial Macromolecular Crystallography Association beamline 17-ID at the Argonne Advanced Photon Source (APS) found the points of attack of the human immunodeficiency virus (HIV)

    E-Print Network [OSTI]

    Kemner, Ken

    was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Researchers. Their work provides a clear picture of the enzyme's structure and is an impor- tant breakthrough by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. See also: APS Science

  16. 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

  17. Macromolecular Crystallization with Microfluidic Free-Interface Diffusion

    SciTech Connect (OSTI)

    Segelke, B

    2005-02-24T23:59:59.000Z

    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.

  18. Macromolecular structure analysis and effective liquefaction pretreatment. Final report

    SciTech Connect (OSTI)

    Suuberg, E.M.; Yun, Y.; Lilly, W.D.; Leung, K.; Gates, T.; Otake, Y.; Deevi, S.C.

    1994-07-01T23:59:59.000Z

    This project was concerned with characterizing the changes in coal macromolecular structure, that are of significance for liquefaction pretreatments of coal. The macromolecular structure of the insoluble portion of coal is difficult to characterize. Techniques that do so indirectly (based upon, for example, NMR and FTIR characterizations of atomic linkages) are not particularly sensitive for this purpose. Techniques that characterize the elastic structure (such as solvent swelling) are much more sensitive to subtle changes in the network structure. It is for this reason that we focused upon these techniques. The overall objective involved identifying pretreatments that reduce the crosslinking (physical or chemical) of the network structure, and thus lead to materials that can be handled to a greater extent by traditional liquid-phase processing techniques. These techniques tend to be inherently more efficient at producing desirable products. This report is divided into seven chapters. Chapter II summarizes the main experimental approaches used throughout the project, and summarizes the main findings on the Argonne Premium coal samples. Chapter III considers synergistic effects of solvent pairs. It is divided into two subsections. The first is concerned with mixtures of CS{sub 2} with electron donor solvents. The second subsection is concerned with aromatic hydrocarbon - alcohol or hydrocarbon - alcohol mixtures, as might be of interest for preliquefaction delivery of catalysts into bituminous coals. Chapter IV deals with questions of how oxidation might influence the results that are obtained. Chapter V briefly details what conclusions may be drawn concerning the elastic behavior of coals, and the effects of thermal treatments on this behavior. Chapter VI is concerned with theories to describe the action of solvents that are capable of dissociating non-covalent crosslinks. Finally, Chapter VII discusses the practical implications of the study.

  19. www.politicas.unam.mx 01/05/2010 -31/05/2010

    E-Print Network [OSTI]

    Islas, León

    www.politicas.unam.mx Panel 01/05/2010 - 31/05/2010 En comparación con: Sitio 0 1.500 3.000 0 1,19% /search?q=cache:tOw- 2 > 0,00% /search?q=cache:tOw- 2 > 0,00% 1 Google Analytics #12;www.politicas,75% T1 11.664 30,27% Cable 3.785 9,82% Unknown 2.907 7,54% Dialup 236 0,61% 2 Google Analytics #12;www.politicas

  20. Macromolecular Reaction Engineering Control of Bulk Propylene Polymerizations Operated with Multiple Catalysts through

    E-Print Network [OSTI]

    Skogestad, Sigurd

    Macromolecular Reaction Engineering Control of Bulk Propylene Polymerizations Operated: Control of Bulk Propylene Polymerizations Operated with Multiple Catalysts through Controller: Abstract: This article presents a model to describe the dynamic behavior of bulk propylene polymerizations

  1. Automated identification of elemental ions in macromolecular crystal structures

    SciTech Connect (OSTI)

    Echols, Nathaniel, E-mail: nechols@lbl.gov; Morshed, Nader; Afonine, Pavel V. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720-8235 (United States); McCoy, Airlie J. [University of Cambridge, Cambridge Institute for Medical Research, Wellcome Trust/MRC Building, Cambridge CB2 0XY (United Kingdom); Miller, Mitchell D. [SLAC National Accelerator Laboratory, Menlo Park, CA 94025 (United States); Joint Center for Structural Genomics, (United States); Read, Randy J. [University of Cambridge, Cambridge Institute for Medical Research, Wellcome Trust/MRC Building, Cambridge CB2 0XY (United Kingdom); Richardson, Jane S. [Duke University Medical Center, Durham, NC 27710 (United States); Terwilliger, Thomas C. [Los Alamos National Laboratory, Los Alamos, NM 87545-0001 (United States); Adams, Paul D. [University of California at Berkeley, Berkeley, CA 94720-1762 (United States); Lawrence Berkeley National Laboratory, Berkeley, CA 94720-8235 (United States)

    2014-04-01T23:59:59.000Z

    The solvent-picking procedure in phenix.refine has been extended and combined with Phaser anomalous substructure completion and analysis of coordination geometry to identify and place elemental ions. Many macromolecular model-building and refinement programs can automatically place solvent atoms in electron density at moderate-to-high resolution. This process frequently builds water molecules in place of elemental ions, the identification of which must be performed manually. The solvent-picking algorithms in phenix.refine have been extended to build common ions based on an analysis of the chemical environment as well as physical properties such as occupancy, B factor and anomalous scattering. The method is most effective for heavier elements such as calcium and zinc, for which a majority of sites can be placed with few false positives in a diverse test set of structures. At atomic resolution, it is observed that it can also be possible to identify tightly bound sodium and magnesium ions. A number of challenges that contribute to the difficulty of completely automating the process of structure completion are discussed.

  2. 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]

    Chen, Guo

    2013-12-31T23:59:59.000Z

    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...

  3. 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)

    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

    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.

  4. Adaptive Visuo-Haptic Rendering for Hybrid Modeling of Macromolecular Assemblies

    E-Print Network [OSTI]

    Wriggers, Willy

    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

  5. between the nucleus and cytoplasm occurs through large macromolecular structures, the nuclear pores. Quantitative

    E-Print Network [OSTI]

    Forbes, Douglass

    the cytoplasm. Together these are assem- bled at points of fusion between the inner and outer nuclear membranes363 between the nucleus and cytoplasm occurs through large macromolecular structures, the nuclear pores. Quantitative scanning transmission electron microscopy has estimated the mass of a nuclear pore

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

    E-Print Network [OSTI]

    Shorter, James

    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

  7. Kinesin Motor Transport is Altered by Macromolecular Crowding and Transiently Associated Microtubule-Associated Proteins

    E-Print Network [OSTI]

    Ross, Jennifer

    01 Kinesin Motor Transport is Altered by Macromolecular Crowding and Transiently Associated of crowding and an increasingly complex cellular environment on the transport of individual motor proteins, we have performed in vitro reconstitution experiments with single kinesin-1 motors walking on microtubules

  8. Modulation of the Toxicity and Macromolecular Binding of Benzene Metabolites by NAD(P)H:Quinone

    E-Print Network [OSTI]

    California at Berkeley, University of

    Articles Modulation of the Toxicity and Macromolecular Binding of Benzene Metabolites by NAD, San Francisco, California 94143-0560 Received April 17, 1998 Benzene is oxidized in the liver of benzene metabolite toxicity. NQO1 expression reduced a class of hydroquinone- and benzenetriol-induced DNA

  9. Measurements of Eh and pH in Compacted MX-80 Bentonite

    SciTech Connect (OSTI)

    Carlsson, Torbjoern; Muurinen, Arto [VTT Technical Research Centre of Finland, Otakaari 3A, Espoo, FI-02044 VTT (Finland)

    2007-07-01T23:59:59.000Z

    The low-content free water and high swelling pressure in compacted bentonite, planned to be used as a buffer in nuclear waste repositories, create adverse conditions for direct measurements of the chemical conditions. This paper presents laboratory results from online measurements with Eh and pH electrodes in water-saturated compacted MX-80 bentonite. The Eh was measured with Au and Pt wires as electrodes, while the pH was determined with IrOx electrodes. The latter were prepared in accordance with the method by Yao et al. [1]. The measurements were carried out in two types of cells: 'squeezing cells' and 'diffusion cells'. The squeezing cell excludes almost completely all chemical interactions between the sample and the surrounding environment outside the cell. The diffusion cell, on the other hand, contains a sample that stays in contact with an external solution and therefore allows following of the physico-chemical interaction between the sample and the external solution. The measuring electrodes were positioned inside the cell in the compacted bentonite, while the reference electrode was positioned outside the cell. (authors)

  10. PublishedbyManeyPublishing(c)IOMCommunicationsLtd Crystallography of Widmanstatten austenite in

    E-Print Network [OSTI]

    Cambridge, University of

    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

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

    E-Print Network [OSTI]

    Bourne, Philip E.

    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

  12. INTRODUCTION TO FOURIER-SPACE CRYSTALLOGRAPHY Lecture notes for the International School on Quasicrystals

    E-Print Network [OSTI]

    Lifshitz, Ron

    INTRODUCTION TO FOURIER-SPACE CRYSTALLOGRAPHY Lecture notes for the International School- sential attribute of crystallinity from position space to Fourier space.1 Within the family of crystals is to describe the corresponding shift to Fourier space in the crystallographic classification scheme, proposed

  13. ?{sup 2}{sub R}, a reciprocal-space measure of the quality of macromolecular electron-density maps

    SciTech Connect (OSTI)

    Terwilliger, Thomas C., E-mail: terwilliger@lanl.gov [Structural Biology Group, Mail Stop M888, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    1999-06-01T23:59:59.000Z

    A reciprocal-space measure of the quality of macromolecular crystallographic phases based on the variance of the local roughness of the map is presented. It has previously been shown that the presence of distinct regions of solvent and protein in macromolecular crystals leads to a high value of the standard deviation of local r.m.s. electron density and that this can in turn be used as a reliable measure of the quality of macromolecular electron-density maps [Terwilliger & Berendzen (1999a ?). Acta Cryst. D55, 501–505]. Here, it is demonstrated that a similar measure, ?{sub R}{sup 2}, the variance of the local roughness of the electron density, can be calculated in reciprocal space. The formulation is suitable for rapid evaluation of macromolecular crystallographic phases, for phase improvement and for ab initio phasing procedures.

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

    E-Print Network [OSTI]

    Bourne, Philip E.

    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

  15. Effects of Macromolecular Crowding on the Structure of a Protein Complex

    SciTech Connect (OSTI)

    Rajapaksha Mudalige, Ajith Rathnaweera [ORNL; Stanley, Christopher B [ORNL; Todd, Brian [ORNL

    2015-01-01T23:59:59.000Z

    Macromolecular crowding can alter the structure and function of biological macromolecules. We used small angle scattering (SAS) to measure the change in size of a protein complex, superoxide dismutase (SOD), induced by macromolecular crowding. Crowding was induced using 400 MW polyethylene glycol (PEG), triethylene glycol (TEG), methyl- -glucoside ( -MG) and trimethylamine N-oxide (TMAO). Parallel small angle neutron scattering (SANS) and small angle x-ray scattering (SAXS) allowed us to unambiguously attribute apparent changes in radius of gyration to changes in the structure of SOD. For a 40% PEG solution, we find that the volume of SOD was reduced by 9%. Considering the osmotic pressure due to PEG, this deformation corresponds to a highly compressible structure. SAXS done in the presence of TEG suggests that for further deformation beyond a 9% decrease in volume the resistance to deformation may increase dramatically.

  16. Pi sampling: a methodical and flexible approach to initial macromolecular crystallization screening

    SciTech Connect (OSTI)

    Gorrec, Fabrice, E-mail: fgorrec@mrc-lmb.cam.ac.uk; Palmer, Colin M.; Lebon, Guillaume; Warne, Tony [MRC Laboratory of Molecular Biology, Hills Road, Cambridge CB2 0QH (United Kingdom)

    2011-05-01T23:59:59.000Z

    Pi sampling, derived from the incomplete factorial approach, is an effort to maximize the diversity of macromolecular crystallization conditions and to facilitate the preparation of 96-condition initial screens. The Pi sampling method is derived from the incomplete factorial approach to macromolecular crystallization screen design. The resulting ‘Pi screens’ have a modular distribution of a given set of up to 36 stock solutions. Maximally diverse conditions can be produced by taking into account the properties of the chemicals used in the formulation and the concentrations of the corresponding solutions. The Pi sampling method has been implemented in a web-based application that generates screen formulations and recipes. It is particularly adapted to screens consisting of 96 different conditions. The flexibility and efficiency of Pi sampling is demonstrated by the crystallization of soluble proteins and of an integral membrane-protein sample.

  17. Development of Control Applications for High-Throughput Protein Crystallography Experiments

    SciTech Connect (OSTI)

    Gaponov, Yurii A.; Matsugaki, Naohiro; Honda, Nobuo; Sasajima, Kumiko; Igarashi, Noriyuki; Hiraki, Masahiko; Yamada, Yusuke; Wakatsuki, Soichi [Structural Biology Research Center, Photon Factory, Institute of Materials Structure Science, High Energy Accelerator Research Organization, 1-1 Oho, Tsukuba, Ibaraki (Japan)

    2007-01-19T23:59:59.000Z

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

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

    SciTech Connect (OSTI)

    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

    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.

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

    SciTech Connect (OSTI)

    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

    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.

  20. JBLULCE

    Energy Science and Technology Software Center (OSTI)

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

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

    E-Print Network [OSTI]

    Kemner, Ken

    systems using very small crystal samples. It also offers the most efficient data collection and structure to synchrotron data collection W H O W E A R E Supported by the U.S. Department of Energy, the Structural Biologywww.sbc.anl.gov The Structural Biology Center enables the atomic-scale study of macromolecular

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

    E-Print Network [OSTI]

    Jeetain Mittal; Robert B. Best

    2009-02-26T23:59:59.000Z

    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.

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

    E-Print Network [OSTI]

    Agard, David

    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

  4. Dose, exposure time, and resolution in Serial X-ray Crystallography

    SciTech Connect (OSTI)

    Starodub, D; Rez, P; Hembree, G; Howells, M; Shapiro, D; Chapman, H N; Fromme, P; Schmidt, K; Weierstall, U; Doak, R B; Spence, J C

    2007-03-22T23:59:59.000Z

    Using detailed simulation and analytical models, the exposure time is estimated for serial crystallography, where hydrated laser-aligned proteins are sprayed across a continuous synchrotron beam. The resolution of X-ray diffraction microscopy is limited by the maximum dose that can be delivered prior to sample damage. In the proposed Serial Crystallography method, the damage problem is addressed by distributing the total dose over many identical hydrated macromolecules running continuously in a single-file train across a continuous X-ray beam, and resolution is then limited only by the available fluxes of molecules and X-rays. Orientation of the diffracting molecules is achieved by laser alignment. We evaluate the incident X-ray fluence (energy/area) required to obtain a given resolution from (1) an analytical model, giving the count rate at the maximum scattering angle for a model protein, (2) explicit simulation of diffraction patterns for a GroEL-GroES protein complex, and (3) the frequency cut off of the transfer function following iterative solution of the phase problem, and reconstruction of a density map in the projection approximation. These calculations include counting shot noise and multiple starts of the phasing algorithm. The results indicate the number of proteins needed within the beam at any instant for a given resolution and X-ray flux. We confirm an inverse fourth power dependence of exposure time on resolution, with important implications for all coherent X-ray imaging. We find that multiple single-file protein beams will be needed for sub-nanometer resolution on current third generation synchrotrons, but not on fourth generation designs, where reconstruction of secondary protein structure at a resolution of 7 {angstrom} should be possible with short (below 100 s) exposures.

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

    SciTech Connect (OSTI)

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

    1982-06-01T23:59:59.000Z

    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.

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

    SciTech Connect (OSTI)

    Koestner, R.J.

    1982-08-01T23:59:59.000Z

    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.

  7. Kinesin Motor Transport is Altered by Macromolecular Crowding and Transiently Associated Microtubule-Associated Proteins

    E-Print Network [OSTI]

    Leslie Conway; Jennifer L. Ross

    2014-09-11T23:59:59.000Z

    Intracellular transport of vesicular cargos, organelles, and other macromolecules is an essential process to move large items through a crowded, and inhomogeneous cellular environment. In an effort to dissect the fundamental effects of crowding and an increasingly complex cellular environment on the transport of individual motor proteins, we have performed in vitro reconstitution experiments with single kinesin-1 motors walking on microtubules in the presence of crowding agents and transient microtubule-associated proteins that more closely emulate the cellular environment. Macromolecular crowding due to inert polymers caused enhanced run lengths of motors, but displayed an increased tendency for non-specific motor association and diffusion, most likely due to depletion interactions. We found that transiently bound associated proteins slowed forward motion, but did not drastically affect the association times, in opposition to previously reported obstacle properties of stably associated microtubule-associated proteins, such as the neuronal protein tau. Such studies of the transport properties of molecular motors in increasingly complex reconstituted environments are important to illuminate the fundamental biophysical principles underlying the essential process of intracellular cargo transport.

  8. Indexing amyloid peptide diffraction from serial femtosecond crystallography: New algorithms for sparse patterns

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

    Brewster, Aaron S.; Sawaya, Michael R.; Rodriguez, Jose; Hattne, Johan; Echols, Nathaniel; McFarlane, Heather T.; Cascio, Duilio; Adams, Paul D.; Eisenberg, David S.; Sauter, Nicholas K.

    2015-02-01T23:59:59.000Z

    Still diffraction patterns from peptide nanocrystals with small unit cells are challenging to index using conventional methods owing to the limited number of spots and the lack of crystal orientation information for individual images. New indexing algorithms have been developed as part of theComputational Crystallography Toolbox(cctbx) to overcome these challenges. Accurate unit-cell information derived from an aggregate data set from thousands of diffraction patterns can be used to determine a crystal orientation matrix for individual images with as few as five reflections. These algorithms are potentially applicable not only to amyloid peptides but also to any set of diffraction patternsmore »with sparse properties, such as low-resolution virus structures or high-throughput screening of still images captured by raster-scanning at synchrotron sources. As a proof of concept for this technique, successful integration of X-ray free-electron laser (XFEL) data to 2.5 Å resolution for the amyloid segment GNNQQNY from the Sup35 yeast prion is presented.« less

  9. Protein crystallography: From X-ray diffraction spots to a three dimensional image

    SciTech Connect (OSTI)

    Terwilliger, T.C.; Berendzen, J.

    1998-02-25T23:59:59.000Z

    Proteins are remarkable molecular machines that are essential for life. They can do many things ranging from the precise control of blood clotting to synthesizing complex organic compounds. Pictures of protein molecules are in high demand in biotechnology because they are important for applications such as drug discovery and for engineering enzymes for commercial use. X-ray crystallography is the most common method for determining the three-dimensional structures of protein molecules. When a crystal of a protein is placed in an X-ray beam, scattering of X-rays off the ordered molecules produces a diffraction pattern that can be measured on a position-sensitive CCD or image-plate detector. Protein crystals typically contain thousands of atoms and the diffraction data are generally measured to relatively low resolution. Consequently the direct methods approaches generally cannot be applied. Instead, if the crystal is modified by adding metal atoms at specific sites or by tuning the wavelength of the X-rays to cross an absorption edge of a metal atom in the crystal, then the information from these additional measurements is sufficient to first identify the /locations of the metal atoms. This information is then used along with the diffraction data to make a three-dimensional picture of electron densities. This picture can be used to determine the position of most or all of the atoms in the protein.

  10. DOE F 740-MX

    Office of Environmental Management (EM)

    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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742 33 1112011AT&T,Office of Policy, OAPM |TRU Waste Cleanup at1450.5B OMB3.2 DOE F580.1 DOE F

  11. Free kick instead of cross-validation in maximum-likelihood refinement of macromolecular crystal structures

    SciTech Connect (OSTI)

    Pražnikar, Jure [Institute Jožef Stefan, Jamova 39, 1000 Ljubljana (Slovenia); University of Primorska, (Slovenia); Turk, Dušan, E-mail: dusan.turk@ijs.si [Institute Jožef Stefan, Jamova 39, 1000 Ljubljana (Slovenia); Center of Excellence for Integrated Approaches in Chemistry and Biology of Proteins, (Slovenia)

    2014-12-01T23:59:59.000Z

    The maximum-likelihood free-kick target, which calculates model error estimates from the work set and a randomly displaced model, proved superior in the accuracy and consistency of refinement of crystal structures compared with the maximum-likelihood cross-validation target, which calculates error estimates from the test set and the unperturbed model. The refinement of a molecular model is a computational procedure by which the atomic model is fitted to the diffraction data. The commonly used target in the refinement of macromolecular structures is the maximum-likelihood (ML) function, which relies on the assessment of model errors. The current ML functions rely on cross-validation. They utilize phase-error estimates that are calculated from a small fraction of diffraction data, called the test set, that are not used to fit the model. An approach has been developed that uses the work set to calculate the phase-error estimates in the ML refinement from simulating the model errors via the random displacement of atomic coordinates. It is called ML free-kick refinement as it uses the ML formulation of the target function and is based on the idea of freeing the model from the model bias imposed by the chemical energy restraints used in refinement. This approach for the calculation of error estimates is superior to the cross-validation approach: it reduces the phase error and increases the accuracy of molecular models, is more robust, provides clearer maps and may use a smaller portion of data for the test set for the calculation of R{sub free} or may leave it out completely.

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

    SciTech Connect (OSTI)

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

    2014-05-01T23:59:59.000Z

    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.

  13. Caspase-3 binds diverse P4 residues in peptides as revealed by crystallography and structural modeling.

    SciTech Connect (OSTI)

    Fang, Bin; Fu, Guoxing; Agniswamy, Johnson; Harrison, Robert W.; Weber, Irene T.; (GSU)

    2009-03-31T23:59:59.000Z

    Caspase-3 recognition of various P4 residues in its numerous protein substrates was investigated by crystallography, kinetics, and calculations on model complexes. Asp is the most frequent P4 residue in peptide substrates, although a wide variety of P4 residues are found in the cellular proteins cleaved by caspase-3. The binding of peptidic inhibitors with hydrophobic P4 residues, or no P4 residue, is illustrated by crystal structures of caspase-3 complexes with Ac-IEPD-Cho, Ac-WEHD-Cho, Ac-YVAD-Cho, and Boc-D(OMe)-Fmk at resolutions of 1.9-2.6 {angstrom}. The P4 residues formed favorable hydrophobic interactions in two separate hydrophobic regions of the binding site. The side chains of P4 Ile and Tyr form hydrophobic interactions with caspase-3 residues Trp206 and Trp214 within a non-polar pocket of the S4 subsite, while P4 Trp interacts with Phe250 and Phe252 that can also form the S5 subsite. These interactions of hydrophobic P4 residues are distinct from those for polar P4 Asp, which indicates the adaptability of caspase-3 for binding diverse P4 residues. The predicted trends in peptide binding from molecular models had high correlation with experimental values for peptide inhibitors. Analysis of structural models for the binding of 20 different amino acids at P4 in the aldehyde peptide Ac-XEVD-Cho suggested that the majority of hydrophilic P4 residues interact with Phe250, while hydrophobic residues interact with Trp206, Phe250, and Trp214. Overall, the S4 pocket of caspase-3 exhibits flexible adaptation for different residues and the new structures and models, especially for hydrophobic P4 residues, will be helpful for the design of caspase-3 based drugs.

  14. Evaluation of macromolecular electron-density map quality using the correlation of local r.m.s. density

    SciTech Connect (OSTI)

    Terwilliger, Thomas C., E-mail: terwilliger@lanl.gov [Structural Biology Group, Mail Stop M888, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Berendzen, Joel [Biophysics Group, Mail Stop D454, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Structural Biology Group, Mail Stop M888, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    1999-11-01T23:59:59.000Z

    The correlation of local r.m.s. density is shown to be a good measure of the presence of distinct solvent and macromolecule regions in macromolecular electron-density maps. It has recently been shown that the standard deviation of local r.m.s. electron density is a good indicator of the presence of distinct regions of solvent and protein in macromolecular electron-density maps [Terwilliger & Berendzen (1999 ?). Acta Cryst. D55, 501–505]. Here, it is demonstrated that a complementary measure, the correlation of local r.m.s. density in adjacent regions on the unit cell, is also a good measure of the presence of distinct solvent and protein regions. The correlation of local r.m.s. density is essentially a measure of how contiguous the solvent (and protein) regions are in the electron-density map. This statistic can be calculated in real space or in reciprocal space and has potential uses in evaluation of heavy-atom solutions in the MIR and MAD methods as well as for evaluation of trial phase sets in ab initio phasing procedures.

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

    E-Print Network [OSTI]

    Tokyo, University of

    %-%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

  16. A split-beam probe-pump-probe scheme for femtosecond time resolved protein X-ray crystallography

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

    van Thor, Jasper J.; Madsen, Anders

    2015-01-01T23:59:59.000Z

    In order to exploit the femtosecond pulse duration of X-ray Free-Electron Lasers (XFEL) operating in the hard X-ray regime for ultrafast time-resolved protein crystallography experiments, critical parameters that determine the crystallographic signal-to-noise (I/?I) must be addressed. For single-crystal studies under low absorbed dose conditions, it has been shown that the intrinsic pulse intensity stability as well as mode structure and jitter of this structure, significantly affect the crystallographic signal-to-noise. Here, geometrical parameters are theoretically explored for a three-beam scheme: X-ray probe, optical pump, X-ray probe (or “probe-pump-probe”) which will allow experimental determination of the photo-induced structure factor amplitude differences, ?F,more »in a ratiometric manner, thereby internally referencing the intensity noise of the XFEL source. In addition to a non-collinear split-beam geometry which separates un-pumped and pumped diffraction patterns on an area detector, applying an additional convergence angle to both beams by focusing leads to integration over mosaic blocks in the case of well-ordered stationary protein crystals. Ray-tracing X-ray diffraction simulations are performed for an example using photoactive yellow protein crystals in order to explore the geometrical design parameters which would be needed. The specifications for an X-ray split and delay instrument that implements both an offset angle and focused beams are discussed, for implementation of a probe-pump-probe scheme at the European XFEL. We discuss possible extension of single crystal studies to serial femtosecond crystallography, particularly in view of the expected X-ray damage and ablation due to the first probe pulse.« less

  17. 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

  18. APS News 2004

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

    by the Industrial Macromolecular Crystallography Association, the group of pharmaceutical companies that comprise the membership of IMCA-CAT. (html) Solid (green) and void (blue)...

  19. 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

  20. 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)

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

    2011-07-01T23:59:59.000Z

    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.

  1. 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)

    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

    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.

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

    SciTech Connect (OSTI)

    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

    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.

  3. Macromolecular Crowding and Confinement

    E-Print Network [OSTI]

    Weston, Ken

    , free energy, protein-protein interactions, protein folding, site-binding Abstract Expected and observed Site-Binding Equilibria . . . . . . . . . . . 381 Two-State Protein Folding Equilibria-Binding Equilibria . . . . . . . . . . . 382 Two-State Protein Folding Equilibria

  4. Macromolecular Chemistry and Physics

    E-Print Network [OSTI]

    Guo, John Zhanhu

    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

  5. Macromolecular Chemistry and Physics

    E-Print Network [OSTI]

    Guo, John Zhanhu

    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

  6. electronic reprint Crystallography

    E-Print Network [OSTI]

    Meagher, Mary

    remarkable progress in X-ray and neutron scattering instrumentation (see e.g. Pedersen, 2002, for a review-based system for small-angle scattering data analysis Petr V. Konarev, Vladimir V. Volkov, Anna V. Sokolova-based system for small- angle scattering data analysis Petr V. Konarev,a,b Vladimir V. Volkov,a,b Anna V

  7. electronic reprint Crystallography

    E-Print Network [OSTI]

    Jacobsen, Steven D.

    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

  8. electronic reprint Crystallography

    E-Print Network [OSTI]

    Ismagilov, Rustem F.

    , 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

  9. electronic reprint Crystallography

    E-Print Network [OSTI]

    Borgstahl, Gloria

    . Fine-'-sliced topographic data (0.002 ) stills were collected with a digital topography system Tracking reflections through cryogenic cooling with topography Jeffrey J. Lovelace, Cameron R. Murphy et al. ¯ Cryogenic cooling with topography #12;research papers J. Appl. Cryst. (2006). 39, 425

  10. electronic reprint Crystallography

    E-Print Network [OSTI]

    Schmidt, Marius

    -probe type. A reaction is initiated in a crystal usually by an intense, ultra-short laser flash (the pump

  11. Membrane Protein Crystallization in Lipidic Mesophases. Hosting Lipid Effects on the Crystallization and Structure of a Transmembrane Peptide

    SciTech Connect (OSTI)

    Hfer, Nicole; Aragao, David; Lyons, Joseph A.; Caffrey, Martin (Trinity)

    2011-09-28T23:59:59.000Z

    Gramicidin is an apolar pentadecapeptide antibiotic consisting of alternating d- and l-amino acids. It functions, in part, by creating pores in membranes of susceptible cells rendering them leaky to monovalent cations. The peptide should be able to traverse the host membrane either as a double-stranded, intertwined double helix (DSDH) or as a head-to-head single-stranded helix (HHSH). Current structure models are based on macromolecular X-ray crystallography (MX) and nuclear magnetic resonance (NMR). However, the HHSH form has only been observed by NMR. The shape and size of the different gramicidin conformations differ. We speculated therefore that reconstituting it into a lipidic mesophase with bilayers of different microstructures would preferentially stabilize one form over the other. By using such mesophases for in meso crystallogenesis, the expectation was that at least one would generate crystals of gramicidin in the HHSH form for structure determination by MX. This was tested using commercial and in-house synthesized lipids that support in meso crystallogenesis. Lipid acyl chain lengths were varied from 14 to 18 carbons to provide mesophases with a range of bilayer thicknesses. Unexpectedly, all lipids produced high-quality, structure-grade crystals with gramicidin only in the DSDH conformation.

  12. Continuous mutual improvement of macromolecular structure models in the PDB and of X-ray crystallographic software: the dual role of deposited experimental data

    SciTech Connect (OSTI)

    Terwilliger, Thomas C., E-mail: terwilliger@lanl.gov [Los Alamos National Laboratory, Mail Stop M888, Los Alamos, NM 87507 (United States); Bricogne, Gerard, E-mail: terwilliger@lanl.gov [Global Phasing Ltd, Sheraton House, Castle Park, Cambridge CB3 0AX (United Kingdom); Los Alamos National Laboratory, Mail Stop M888, Los Alamos, NM 87507 (United States)

    2014-10-01T23:59:59.000Z

    Macromolecular structures deposited in the PDB can and should be continually reinterpreted and improved on the basis of their accompanying experimental X-ray data, exploiting the steady progress in methods and software that the deposition of such data into the PDB on a massive scale has made possible. Accurate crystal structures of macromolecules are of high importance in the biological and biomedical fields. Models of crystal structures in the Protein Data Bank (PDB) are in general of very high quality as deposited. However, methods for obtaining the best model of a macromolecular structure from a given set of experimental X-ray data continue to progress at a rapid pace, making it possible to improve most PDB entries after their deposition by re-analyzing the original deposited data with more recent software. This possibility represents a very significant departure from the situation that prevailed when the PDB was created, when it was envisioned as a cumulative repository of static contents. A radical paradigm shift for the PDB is therefore proposed, away from the static archive model towards a much more dynamic body of continuously improving results in symbiosis with continuously improving methods and software. These simultaneous improvements in methods and final results are made possible by the current deposition of processed crystallographic data (structure-factor amplitudes) and will be supported further by the deposition of raw data (diffraction images). It is argued that it is both desirable and feasible to carry out small-scale and large-scale efforts to make this paradigm shift a reality. Small-scale efforts would focus on optimizing structures that are of interest to specific investigators. Large-scale efforts would undertake a systematic re-optimization of all of the structures in the PDB, or alternatively the redetermination of groups of structures that are either related to or focused on specific questions. All of the resulting structures should be made generally available, along with the precursor entries, with various views of the structures being made available depending on the types of questions that users are interested in answering.

  13. 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

  14. 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]

    Nakamura, Hiroaki

    #?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

  15. Molecular Control of Macromolecular Properties

    E-Print Network [OSTI]

    Holcombe, Thomas

    2011-01-01T23:59:59.000Z

    with a Keithley 236 SMU. Eight devices were averaged forwith a Keithley 236 SMU. Eight devices were averaged forusing a Keithley 236 SMU at room temperature. Transmission

  16. Molecular Control of Macromolecular Properties

    E-Print Network [OSTI]

    Holcombe, Thomas

    2011-01-01T23:59:59.000Z

    substitution on photovoltaic performance, this time with anAdditionally, the photovoltaic performance with the highAbstract The performance of organic photovoltaic (OPV)

  17. PHASE DIAGRAMS and MACROMOLECULAR STABILITY

    E-Print Network [OSTI]

    Middaugh, C. Russell

    2006-10-26T23:59:59.000Z

    ), 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...

  18. Molecular Control of Macromolecular Properties

    E-Print Network [OSTI]

    Holcombe, Thomas

    2011-01-01T23:59:59.000Z

    limited by modest short- circuit current densities.due to a reduction in the short circuit current (J sc ). Thethe observed short circuit currents for several polymer:PCBM

  19. Powder Diffraction Crystallography Instructional Materials

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

    a set of exercises, and a Flash movie made of the demo for the first exercise. Learning to Use CMPR CMPR is a multipurpose program that can be used for displaying...

  20. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC)Integrated CodesTransparency VisitSilverNephelineNeural probe design

  1. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville PowerCherries 82981-1cnHigh SchoolIn12electron beam chargesJenniferJohann Deisenhofer,

  2. A national facility for biological cryo-electron microscopy

    SciTech Connect (OSTI)

    Saibil, Helen R., E-mail: h.saibil@mail.cryst.bbk.ac.uk [Birkbeck College, Malet Street, London WC1E 7HX (United Kingdom); Grünewald, Kay [University of Oxford, Oxford OX3 7BN (United Kingdom); Stuart, David I. [University of Oxford, Oxford OX3 7BN (United Kingdom); Diamond Light Source, Didcot OX11 0DE (United Kingdom); Birkbeck College, Malet Street, London WC1E 7HX (United Kingdom)

    2015-01-01T23:59:59.000Z

    This review provides a brief update on the use of cryo-electron microscopy for integrated structural biology, along with an overview of the plans for the UK national facility for electron microscopy being built at the Diamond synchrotron. Three-dimensional electron microscopy is an enormously powerful tool for structural biologists. It is now able to provide an understanding of the molecular machinery of cells, disease processes and the actions of pathogenic organisms from atomic detail through to the cellular context. However, cutting-edge research in this field requires very substantial resources for equipment, infrastructure and expertise. Here, a brief overview is provided of the plans for a UK national three-dimensional electron-microscopy facility for integrated structural biology to enable internationally leading research on the machinery of life. State-of-the-art equipment operated with expert support will be provided, optimized for both atomic-level single-particle analysis of purified macromolecules and complexes and for tomography of cell sections. The access to and organization of the facility will be modelled on the highly successful macromolecular crystallography (MX) synchrotron beamlines, and will be embedded at the Diamond Light Source, facilitating the development of user-friendly workflows providing near-real-time experimental feedback.

  3. Improving the accuracy of macromolecular structure refinement

    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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC) EnvironmentalGyroSolé(tm)HydrogenRFP » Important TrinityEnergy the Way

  4. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625govInstrumentstdmadapInactiveVisiting the TWPSuccessAlamos Laboratory Nastasi imageNanomaterials

  5. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC)IntegratedSpeedingTechnical News,Program DirectionProjectPromisePropertyProposal

  6. COMPUTATIONAL METHODOLOGY IN CRYSTALLOGRAPHY: EVALUATION AND EXTENSION

    E-Print Network [OSTI]

    Templeton Ed, D.

    2011-01-01T23:59:59.000Z

    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

  7. COMPUTATIONAL METHODOLOGY IN CRYSTALLOGRAPHY: EVALUATION AND EXTENSION

    E-Print Network [OSTI]

    Templeton Ed, D.

    2011-01-01T23:59:59.000Z

    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,

  8. Advancing Methods for Biomolecular 1 Crystallography 2

    E-Print Network [OSTI]

    Richardson, David

    on microfilms 67 or in any other physical way, and transmission or information storage and retrieval, 68 Dordrecht, The Netherlands. 58 59 www.springer.com 60 Printed on acid-free paper 61 62 All Rights Reserved 63 © Springer Science+Business Media Dordrecht 2013 64 This work is subject to copyright. All rights

  9. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItemResearch > The EnergyCenterDioxide Capture in the Presence of Waterusing

  10. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC)Integrated Codes |Is Your HomeLatestCenter (LMI-EFRC) -Choices toLeeLinearb A

  11. Microbial Electrochemical Technology (MxCs): Challenges and Opportunit...

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

    Boulder, during the "Technological State of the Art" panel at the Hydrogen, Hydrocarbons, and Bioproduct Precursors from Wastewaters Workshop held March 18-19, 2015....

  12. 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;...

  13. 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 DataDepartment of Energy Your Density Isn't Your Destiny:Revised Finding of No53197EFindingEA-257-C EmeraEA-278 Direct

  14. 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnual SiteofEvaluatingGroup |JilinLu anMicrogreenMoon LakeMountainMunicipal Energy

  15. 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 DataDepartment of Energy Your Density Isn't YourTransport(FactDepartment3311, 3312), OctoberMayEnergyInstituteMicro3 BALLARDDepartment

  16. EA-279_UNS__MX.pdf | Department of Energy

    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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742Energy China 2015 Business42.1Energy |Final Site-WideBPAPower Marketing,CP Energyrescinding

  17. MX Group SpA | 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 onYou are now leaving Energy.gov You are now leaving Energy.gov You are being directedAnnual SiteofEvaluatingGroup |JilinLu an Group Jump to: navigation,LushuiLyme,MDLMPMX Group SpA Jump

  18. 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

  19. Multiscale mechanics of macromolecular materials with unfolding domains

    E-Print Network [OSTI]

    Domenico De Tommasi; Giuseppe Puglisi; Giuseppe Saccomandi

    2014-07-14T23:59:59.000Z

    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.

  20. Perspective Research in Macromolecular Science: Challenges and Opportunities

    E-Print Network [OSTI]

    Weeks, Eric R.

    . K. Ober, S. Z. D. Cheng, P. T. Hammond,§ M. Muthukumar,| E. Reichmanis, K. L. Wooley,# and T. P committee including Stephen Cheng, Paula Hammond, M. Muthukumar, Elsa Reichmanis, and Karen Wooley, over 50

  1. Generating Triangulated Macromolecular Surfaces by Euclidean Distance Transform

    E-Print Network [OSTI]

    Xu, Dong; Zhang, Yang

    2009-12-02T23:59:59.000Z

    are called VVW , VSAand VMS separately. Step I. Translate and scale the coordinates of all the atoms in the molecular structure in order to fit them in the bounding box. After scaling, the van der Waals radius ri and the probe radius rp become sri and srp... surface, set the radius to be the summation of sri and srp. Use the space-filling method to get the scaled volumetric solid VSA. Step III. To get the van der Waals surface and the solvent- accessible surface, go to step IV directly. To get the molecular...

  2. Insights into assembly of the macromolecular inflammasome complex

    E-Print Network [OSTI]

    Monie, Tom P.; Boyle, Joseph P.

    2014-12-23T23:59:59.000Z

    ., 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...

  3. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625govInstrumentstdmadapInactiveVisitingContract Management FermiDavidDiesel pricesDiesel28,Collapse |Interfaces

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

    E-Print Network [OSTI]

    Petriu, Emil M.

    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

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

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

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

  6. 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,...

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

    E-Print Network [OSTI]

    Sherrill, David

    : 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

  8. CrystalPlan: an Experiment Planning Tool for Crystallography

    SciTech Connect (OSTI)

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

    2011-01-01T23:59:59.000Z

    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.

  9. Crystallography of TWIP Steel Graduate Institute of Ferrous Technology

    E-Print Network [OSTI]

    Cambridge, University of

    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

  10. The Development of the GCPCC Protein Crystallography Beamline at CAMD

    E-Print Network [OSTI]

    Phillips, George N. Jr.

    ) monochromator and a focusing toroidal mirror. Built off of the CAMD 7 T superconducting, energy-shifting wiggler. The radiation source for this beamline is a 7 T superconducting, energy-shifting wiggler at the Center of the flux produced by the superconducting side poles relative to the central pole is 16% at 7 keV, 3 % at 12

  11. Media invited to join students in crystallography experiment

    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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC)Integrated Codes |IsLove Your Home andDispositionMechanical R&D Contact:1March

  12. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of Science (SC) Environmental AssessmentsGeoffrey Campbelllong version) The U.S.short176674Genentech

  13. 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 DataDepartment of Energy Your Density Isn'tOrigin of Contamination in Many Devils Wash,EnergyNanophosphate technologyDepartment

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

    E-Print Network [OSTI]

    to focus on liquid fuels, such as biodiesel and bioethanol to be used with or instead of the conventional

  15. 12 www.publimetro.com.mx VIERNES 04 DE NOVIEMBRE DE 2011ciencia desde la unam

    E-Print Network [OSTI]

    Grutter, Michel

    contrarresta y disfraza parcialmente los efectos del calentamiento global propiciado por los gases de efecto atenuar el calentamiento global, pero aumenta el riesgo de alteraciones climáticas y ambientales terrestre: un oscurecimien- to global en los continentes y en el océano. Los presun- tos culpables de la

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

    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 DataDepartment of Energy Your Density Isn't YourTransport(FactDepartment3311, 3312), OctoberMayEnergyInstituteMicro3Energy Fuel Cell

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

    E-Print Network [OSTI]

    Esswein, Arthur J

    2007-01-01T23:59:59.000Z

    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 ...

  18. Collaborative Computational Project for Electron cryo-Microscopy

    SciTech Connect (OSTI)

    Wood, Chris; Burnley, Tom [Science and Technology Facilities Council, Research Complex at Harwell, Didcot OX11 0FA (United Kingdom); Patwardhan, Ardan [European Molecular Biology Laboratory, Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD (United Kingdom); Scheres, Sjors [MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge Biomedical Campus, Cambridge CB2 0QH (United Kingdom); Topf, Maya [University of London, Malet Street, London WC1E 7HX (United Kingdom); Roseman, Alan [University of Manchester, Oxford Road, Manchester M13 9PT (United Kingdom); Winn, Martyn, E-mail: martyn.winn@stfc.ac.uk [Science and Technology Facilities Council, Daresbury Laboratory, Warrington WA4 4AD (United Kingdom); Science and Technology Facilities Council, Research Complex at Harwell, Didcot OX11 0FA (United Kingdom)

    2015-01-01T23:59:59.000Z

    The Collaborative Computational Project for Electron cryo-Microscopy (CCP-EM) is a new initiative for the structural biology community, following the success of CCP4 for macromolecular crystallography. Progress in supporting the users and developers of cryoEM software is reported. The Collaborative Computational Project for Electron cryo-Microscopy (CCP-EM) has recently been established. The aims of the project are threefold: to build a coherent cryoEM community which will provide support for individual scientists and will act as a focal point for liaising with other communities, to support practising scientists in their use of cryoEM software and finally to support software developers in producing and disseminating robust and user-friendly programs. The project is closely modelled on CCP4 for macromolecular crystallography, and areas of common interest such as model fitting, underlying software libraries and tools for building program packages are being exploited. Nevertheless, cryoEM includes a number of techniques covering a large range of resolutions and a distinct project is required. In this article, progress so far is reported and future plans are discussed.

  19. Photoinduced Electron Transfer in Ordered Macromolecular Assemblies. Final report for May 1, 1988 - June 30, 2002

    SciTech Connect (OSTI)

    Jones, G.

    2005-02-11T23:59:59.000Z

    The final report describes studies over a 13 year period having to do with photoinduced electron transfer for active chromophores and redox agents, including assembly of the components in water soluble polymers or polypeptides. The findings include observation of long range charge separation and electron transport using laser phototransient spectroscopy. The systems targeted in these studies include peptide assemblies for which helical conformations and aggregation are documented. Oligomeric peptides modified with non-native redox active groups were also selected for investigation. Highly charged polymers or peptides were investigated as host agents that resemble proteins. The overall goal of these investigations focused on the design and characterization of systems capable of artificial photosynthesis.

  20. Understanding Structural Stability of Pharmaceutically Relevant Macromolecular Complexes: A Biophysical and Biochemical Approach

    E-Print Network [OSTI]

    Esfandiary, Reza

    2009-08-10T23:59:59.000Z

    were monitored by measuring the optical density (OD 350nm) every 2 min. 4.1. 119 CD spectra of three rotavirus strains at various p...-Negatively Constrained Least Square OD350 Optical Density at 350 nm PE Pseudomonas Exotoxin PE4E A Derivative of Pseudomonas Exotoxin PHE Phenylalanine pI Isoelectric Point PTI Photon Technology International RGB Red / Green / Blue RNA...

  1. Responsive polymers for dynamic modulation of bio-macromolecular transport properties

    E-Print Network [OSTI]

    Deshmukh, Smeet

    2008-01-01T23:59:59.000Z

    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 ...

  2. The evaluation of melamine dendrimers as potential macromolecular vehicles for anticancer drug delivery

    E-Print Network [OSTI]

    Neerman, Michael Frederick

    2005-08-29T23:59:59.000Z

    .4. Results and discussion..........................................................35 2.4.1. In vitro evaluation .................................................35 2.4.2. Acute in vivo evaluation .......................................35... ...............................................36 16 The viability of Clone 9 cells with increasing concentrations of 1 or dextran after 24 h of exposure.......................................................................... 37 17 BUN and ALT biochemical data from the acute...

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

    E-Print Network [OSTI]

    Brutlag, Doug

    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

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

    E-Print Network [OSTI]

    Thiele, Ines

    2009-01-01T23:59:59.000Z

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

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

    SciTech Connect (OSTI)

    Hattne, Hattne

    2014-03-04T23:59:59.000Z

    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.

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

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    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

  7. Tools for macromolecular model building and refinement into electron cryo-microscopy reconstructions

    SciTech Connect (OSTI)

    Brown, Alan; Long, Fei; Nicholls, Robert A.; Toots, Jaan; Emsley, Paul; Murshudov, Garib, E-mail: garib@mrc-lmb.cam.ac.uk [MRC Laboratory of Molecular Biology, Francis Crick Avenue, Cambridge CB2 0QH (United Kingdom)

    2015-01-01T23:59:59.000Z

    A description is given of new tools to facilitate model building and refinement into electron cryo-microscopy reconstructions. The recent rapid development of single-particle electron cryo-microscopy (cryo-EM) now allows structures to be solved by this method at resolutions close to 3 Å. Here, a number of tools to facilitate the interpretation of EM reconstructions with stereochemically reasonable all-atom models are described. The BALBES database has been repurposed as a tool for identifying protein folds from density maps. Modifications to Coot, including new Jiggle Fit and morphing tools and improved handling of nucleic acids, enhance its functionality for interpreting EM maps. REFMAC has been modified for optimal fitting of atomic models into EM maps. As external structural information can enhance the reliability of the derived atomic models, stabilize refinement and reduce overfitting, ProSMART has been extended to generate interatomic distance restraints from nucleic acid reference structures, and a new tool, LIBG, has been developed to generate nucleic acid base-pair and parallel-plane restraints. Furthermore, restraint generation has been integrated with visualization and editing in Coot, and these restraints have been applied to both real-space refinement in Coot and reciprocal-space refinement in REFMAC.

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

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

    Hattne, Hattne

    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.

  9. 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...

  10. 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

  11. Effect of Macromolecular Crowding on Protein Binding Stability: Modest Stabilization and Significant Biological Consequences

    E-Print Network [OSTI]

    Weston, Ken

    that when fetal hemoglobin is used as a therapy for sickle cell anemia, which is caused by poly- merization

  12. Normal Mode Analysis of Macromolecular Motions in a Database Framework: Developing Mode Concentration as a

    E-Print Network [OSTI]

    Gerstein, Mark

    - polations in a high-throughput pipeline, arriving at a final list of 3,814 putative motions and standardized range of biological phenomena, including chemical concentration regulation, signal transduction

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

    E-Print Network [OSTI]

    Perelman, Loren Avery

    2008-01-01T23:59:59.000Z

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

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

    E-Print Network [OSTI]

    Thiele, Ines

    2009-01-01T23:59:59.000Z

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

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

    E-Print Network [OSTI]

    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

    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...

  16. Release of Brain Mitochondrial Hexokinase by Acidic Proteins and Macromolecular Polyanions

    E-Print Network [OSTI]

    F. Moller

    2005-03-22T23:59:59.000Z

    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.

  17. STUDYING MACROMOLECULAR MOTIONS IN A DATABASE FRAMEWORK: FROM STRUCTURE TO SEQUENCE

    E-Print Network [OSTI]

    Gerstein, Mark

    and heterogeneity of the information kept in the database makes it an ideal application for an object motions are involved in numerous basic functions such as catalysis, regulation of activity, transport

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

    E-Print Network [OSTI]

    Pablo Echenique; J. L. Alonso

    2006-12-04T23:59:59.000Z

    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.

  19. Journal of Macromolecular Science R , Part C: Polymer Reviews, 49:2563, 2009

    E-Print Network [OSTI]

    Mather, Patrick T.

    POSS, hybrid materials, rheology, microstructure, biomaterials 1. Introduction 1.1. Polymeric Nanocomposites To reinforce polymers, it is common to physically disperse in the polymeric host inorganic fillers nanocomposites, may achieve dramatic improvements in such physical properties as gas barrier, thermal stability

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

    SciTech Connect (OSTI)

    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

    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.

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

    E-Print Network [OSTI]

    Perelman, Loren Avery

    2008-01-01T23:59:59.000Z

    hybrid’ s OT returns to its original value, demonstrating the reversibility of the system through heating-system Figure 4.4 Optical thickness changes of a porous SiO 2 /poly(NIPAM) hybrid upon three consecutive heating/

  2. Improvements in serial femtosecond crystallography of photosystem II by optimizing crystal uniformity using microseeding procedures

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

    Ibrahim, Mohamed; Chatterjee, Ruchira; Hellmich, Julia; Tran, Rosalie; Bommer, Martin; Yachandra, Vittal K.; Yano, Junko; Kern, Jan; Zouni, Athina

    2015-07-01T23:59:59.000Z

    In photosynthesis, photosystem II (PSII) is the multi-subunit membrane protein complex that catalyzes photo-oxidation of water into dioxygen through the oxygen evolving complex (OEC). To understand the water oxidation reaction, it is important to get structural information about the transient and intermediate states of the OEC in the dimeric PSII core complex (dPSIIcc). In recent times, femtosecond X-ray pulses from the free electron laser (XFEL) are being used to obtain X-ray diffraction (XRD) data of dPSIIcc microcrystals at room temperature that are free of radiation damage. In our experiments at the XFEL, we used an electrospun liquid microjet setup thatmore »requires microcrystals less than 40 ?m in size. In this study, we explored various microseeding techniques to get a high yield of monodisperse uniform-sized microcrystals. Monodisperse microcrystals of dPSIIcc of uniform size were a key to improve the stability of the jet and the quality of XRD data obtained at the XFEL. This was evident by an improvement of the quality of the datasets obtained, from 6.5 Å, using crystals grown without the micro seeding approach, to 4.5 Å using crystals generated with the new method.« less

  3. Combining crystallography and EPR: crystal and solution structures of the multidomain cochaperone DnaJ

    SciTech Connect (OSTI)

    Barends, Thomas R. M., E-mail: thomas.barends@mpimf-heidelberg.mpg.de [MPI for Medical Research, Heidelberg (Germany); Brosi, Richard W. W. [Freie Universitat Berlin, Berlin (Germany); Steinmetz, Andrea; Scherer, Anna; Hartmann, Elisabeth; Eschenbach, Jessica; Lorenz, Thorsten [MPI for Medical Research, Heidelberg (Germany); Seidel, Ralf [MPI for Molecular Physiology, Dortmund (Germany); Shoeman, Robert L.; Zimmermann, Sabine [MPI for Medical Research, Heidelberg (Germany); Bittl, Robert [Freie Universitat Berlin, Berlin (Germany); Schlichting, Ilme; Reinstein, Jochen [MPI for Medical Research, Heidelberg (Germany)

    2013-08-01T23:59:59.000Z

    The crystal structure of the N-terminal part of T. thermophilus DnaJ unexpectedly showed an ordered GF domain and guided the design of a construct enabling the first structure determination of a complete DnaJ cochaperone molecule. By combining the crystal structures with spin-labelling EPR and cross-linking in solution, a dynamic view of this flexible molecule was developed. Hsp70 chaperones assist in a large variety of protein-folding processes in the cell. Crucial for these activities is the regulation of Hsp70 by Hsp40 cochaperones. DnaJ, the bacterial homologue of Hsp40, stimulates ATP hydrolysis by DnaK (Hsp70) and thus mediates capture of substrate protein, but is also known to possess chaperone activity of its own. The first structure of a complete functional dimeric DnaJ was determined and the mobility of its individual domains in solution was investigated. Crystal structures of the complete molecular cochaperone DnaJ from Thermus thermophilus comprising the J, GF and C-terminal domains and of the J and GF domains alone showed an ordered GF domain interacting with the J domain. Structure-based EPR spin-labelling studies as well as cross-linking results showed the existence of multiple states of DnaJ in solution with different arrangements of the various domains, which has implications for the function of DnaJ.

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

    SciTech Connect (OSTI)

    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

    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.

  5. Ultrahigh resolution protein crystallography: Concanavalin A to 0.94 A and beyond

    SciTech Connect (OSTI)

    Deacon, A.M.; Gleichmann, T.; Harrop, S.J.; Helliwell, J.R. [Department of Chemistry, University of Manchester, Manchester M13 9PL (England)] [Department of Chemistry, University of Manchester, Manchester M13 9PL (England); Kalb Gilboa, A.J.; Yariv, J. [The Weizmann Institute (Israel)] [The Weizmann Institute (Israel)

    1996-09-01T23:59:59.000Z

    Many years ago the idea of collecting voluminous quantities of weak reflection intensities from a protein crystal, at high resolution, was a particular challenge [J.R. Helliwell (1979) Daresbury Study Weekend DL/SCI R13, pp. 1{endash}6]. The combination of insertion devices with very high x-ray fluxes at short x-ray wavelengths, sensitive CCD detectors, and freezing of crystals have provided the means to certainly match those best hopes. So much so that the data can best be described as ultrahigh resolution, at least as evidenced in our studies of the 25000 molecular weight plant protein concanavalin A. (The intrinsic property of this protein is to bind sugar molecules; it is implicated in cell-to-cell recognition processes and is widely used as a laboratory diagnostic tool.) At CHESS we have used a 0.9 A wavelength beam on station A1, fed by a 24 pole multipole wiggler. Both an imaging plate system and the Princeton 1k CCD detector [M. Tate {ital et} {ital al}., J. Appl. Cryst. {bold 28}, 196 (1995)] have been used on this experimental setup to collect diffraction data sets from frozen concanavalin A crystals (saccharide-free crystal form). The rapid readout of the CCD was most convenient compared with the image plate and its associated scanning and erasing. Moreover the data processing results towards the edges of the detectors, 0.98 A, show that the CCD is much better than the image plate at recording these weaker data (Rmerge(I) 13{percent} versus 44{percent}, respectively). The poor performance of the image plate with weak signals has of course been documented by the Daresbury detector group [R. Lewis, J. Synchrotron Radiation {bold 1}, 43 (1994)]. However, the aperture of the CCD used was limiting here. Very recently, in another run at CHESS with the CCD on A1, we have been able to record diffraction data to 0.94 A by further offsetting the detector. We again found that the reflections are still strong at the edge. (Abstract Truncated)

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

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

    important that we want to continue." Toby received his B.A. in chemistry from Rutgers College in 1980 and his Ph.D. in Physical Chemistry from the California Institute of...

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

    DOE Patents [OSTI]

    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

    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.

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

    DOE Patents [OSTI]

    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

    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.

  9. Direct Observation of Optically Induced Transient Structures in Graphite Using Ultrafast Electron Crystallography

    E-Print Network [OSTI]

    initio density functional calculations, we trace the governing mechanism back to electronic structure changes in the electronic properties, direct de- termination of lattice structural dynamics from opticalDirect Observation of Optically Induced Transient Structures in Graphite Using Ultrafast Electron

  10. First-principles codes for computational crystallography in the Quantum-ESPRESSO package

    E-Print Network [OSTI]

    Giannozzi, Paolo

    of codes for first-principles electronic structure calculations have been merged into a single multi, Switzerland Received August 6, 2004; accepted December 5, 2004 Ab-initio calculations / Molecular dynamics in Electronic Structure, Simulation, and Optimization). The package is freely distributed under the GNU open

  11. Research Profile The research focus at the Laboratory of Crystallography is

    E-Print Network [OSTI]

    Sandoghdar, Vahid

    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

  12. Intercalation of Trioxatriangulenium Ion in DNA: Binding, Electron Transfer, X-ray Crystallography, and Electronic

    E-Print Network [OSTI]

    Williams, Loren

    treatment) primarily at GG steps. The X-ray crystal structure of TOTA+ intercalated in the hexameric duplex DNA is driven by recognition that the precise function of numerous synthetic and natural products by intercalators. Additional interest in investigation of intercalation and stacking was stimulated by the report

  13. Introduction to X-ray Crystallography Jesse Rinehart, PhD

    E-Print Network [OSTI]

    Gerstein, Mark

    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

  14. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power AdministrationField Campaign:INEAWater Use Goal 4: Efficient Water UseEighth Shull Fellow to

  15. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOE Office of ScienceandMesa del SolStrengtheningWildfires may contribute more to &83Stanford Synchrotron

  16. Serial time-resolved crystallography of photosystem II using a femtosecond

    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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645 3,625 1,006 492 742EnergyOnItemResearch > TheNuclearHomelandMultivariate Metal-Organic Frameworks | CenterX-ray

  17. 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: Alternative1 First Use of Energy for All Purposes (Fuel and Nonfuel), 2002; Level: National5Sales for4,645U.S. DOEThe Bonneville Power Administration wouldDECOMPOSITION OFSupplemental TechnologySummary of DSO 216Daily780

  18. PROFESOR: LUIS E. NIETO BARAJAS Maestra en administracin de riesgos Anlisis multivariado para riesgos

    E-Print Network [OSTI]

    Nieto Barajas, Luis E.

    BARAJAS EMAIL: lnieto@itam.mx URL: http://allman.rhon.itam.mx/~lnieto OBJETIVO: Presentar los principales

  19. PROFESOR:LUIS E. NIETO BARAJAS Maestra en administracin de riesgos Mtodos estadsticos Bayesianos

    E-Print Network [OSTI]

    Nieto Barajas, Luis E.

    BARAJAS EMAIL: lnieto@itam.mx URL: http://allman.rhon.itam.mx/~lnieto Ø OBJETIVO: El estudiante conocerá

  20. PROFESOR: LUIS E. NIETO BARAJAS ESTADSTICA I

    E-Print Network [OSTI]

    Nieto Barajas, Luis E.

    PROFESOR: LUIS E. NIETO BARAJAS EMAIL: lnieto@itam.mx URL: http://allman.rhon.itam.mx/~lnieto OBJETIVO: Al

  1. FG Systemdynamik und Reibungsphysik

    E-Print Network [OSTI]

    Berlin,Technische Universität

    2 mx K = , potentielle Energie der Fe- der ist 2 2 cx U = . Lagrangefunktion ist gleich 2 2 2 2 mx cx L K U= - = - . Die Ableitungen lau- ten: 2 2 2 2 2 2 L mx cx mx mx x x x = - = = , d L d mx mx dt x dt = = , 2 2 2 2 2 2 L mx cx cx cx x x x = - = - = - . Die

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

    E-Print Network [OSTI]

    M�RIDA iortega@mda.cinvestav.mx Vidal@mda.cinvestav.mx Departamento de Ecología Humana dickinso@mda.cinvestav.mx Departamento de Física Aplicada rhuerta@mda.cinvestav.mx jjag@mda.cinvestav.mx Departamento de Recursos del Mar robledo@mda.cinvestav.mx UNIDAD QUER�TARO academica@qro.cinvestav.mx jlnaredo@qro.cinvestav.mx sjimenez

  3. Discrimination of solvent from protein regions in native Fouriers as a means of evaluating heavy-atom solutions in the MIR and MAD methods

    SciTech Connect (OSTI)

    Terwilliger, Thomas C., E-mail: terwilliger@lanl.gov [Structural Biology Group, Mail Stop M888, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Berendzen, Joel [Biophysics Group, Mail Stop D454, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Structural Biology Group, Mail Stop M888, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    1999-02-01T23:59:59.000Z

    The presence of distinct regions of high and low density variation in electron-density maps is found to be a good indicator of the correctness of a heavy-atom solution in the MIR and MAD methods. An automated examination of the native Fourier is tested as a means of evaluation of a heavy-atom solution in MAD and MIR methods for macromolecular crystallography. It is found that the presence of distinct regions of high and low density variation in electron-density maps is a good indicator of the correctness of a heavy-atom solution in the MIR and MAD methods. The method can be used to evaluate heavy-atom solutions during MAD and MIR structure solutions and to determine the handedness of the structure if anomalous data have been measured.

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

    E-Print Network [OSTI]

    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

    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...

  5. 2010 Diffraction Methods in Structural Biology

    SciTech Connect (OSTI)

    Dr. Ana Gonzalez

    2011-03-10T23:59:59.000Z

    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.

  6. Energiemethoden der Mechanik / Prof. Popov / Vorlesung 1. Generalisierte Koordinaten, Lagrangefunktion, Lagrangegleichungen II. Art

    E-Print Network [OSTI]

    Berlin,Technische Universität

    = , potentielle Energie der Fe- der ist 2 2 cx U = . Lagrangefunktion ist gleich 2 2 2 2 mx cx L K U= - = - . Die Ableitungen lau- ten: 2 2 2 2 2 2 L mx cx mx mx x x x = - = = , d L d mx mx dt x dt = = , 2 2 2 2 2 2 L mx cx cx cx x x x = - = - = - . Die Lagrangegleichung lautet 0 d L L

  7. ELECTRNICO UNIDAD DISTRITO FEDERAL

    E-Print Network [OSTI]

    @ira@.cinvestav.mx UNIDAD M�RIDA iortega@mda.cinvestav.mx decoss@mda.cinvestav.mx 2 CERRAR CONTENIDO #12;905/ Departamento de Ecología Humana dickinso@mda.cinvestav.mx Departamento de Física Aplicada rhuerta@mda.cinvestav.mx gperez@mda.cinvestav.mx Departamento de Recursos del Mar robledo@mda.cinvestav.mx UNIDAD QUER�TARO

  8. Improving macromolecular atomic models at moderate resolution by automated iterative model building, statistical density modification and refinement

    SciTech Connect (OSTI)

    Terwilliger, Thomas C., E-mail: terwilliger@lanl.gov [Mail Stop M888, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    2003-07-01T23:59:59.000Z

    A procedure for iterative model-building, statistical density modification and refinement at moderate resolution (up to about 2.8 Å) is described. An iterative process for improving the completeness and quality of atomic models automatically built at moderate resolution (up to about 2.8 Å) is described. The process consists of cycles of model building interspersed with cycles of refinement and combining phase information from the model with experimental phase information (if any) using statistical density modification. The process can lead to substantial improvements in both the accuracy and completeness of the model compared with a single cycle of model building. For eight test cases solved by MAD or SAD at resolutions ranging from 2.0 to 2.8 Å, the fraction of models built and assigned to sequence was 46–91% (mean of 65%) after the first cycle of building and refinement, and 78-95% (mean of 87%) after 20 cycles. In an additional test case, an incorrect model of gene 5 protein (PDB code 2gn5; r.m.s.d. of main-chain atoms from the more recent refined structure 1vqb at 1.56 Å) was rebuilt using only structure-factor amplitude information at varying resolutions from 2.0 to 3.0 Å. Rebuilding was effective at resolutions up to about 2.5 Å. The resulting models had 60-80% of the residues built and an r.m.s.d. of main-chain atoms from the refined structure of 0.20 to 0.62 Å. The algorithm is useful for building preliminary models of macromolecules suitable for an experienced crystallographer to extend, correct and fully refine.

  9. 1998 Oxford University Press42804290 Nucleic Acids Research, 1998, Vol. 26, No. 18 A database of macromolecular motions

    E-Print Network [OSTI]

    Gerstein, Mark

    to implement the database. However, the complexity and heterogeneity of the information kept in the database, are involved in many basic functions such as catalysis, regulation of activity, transport of metabolites

  10. 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]

    Islas, León

    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

  11. The carburization of transition metal molybdates (MxMoO?, M= Cu, Ni or Co) and the generation of highly active metal/carbide catalysts for CO? hydrogenation

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

    Rodriguez, Jose A.; Xu, Wenqian; Ramirez, Pedro J.; Stachiola, Dario; Brito, Joaquin L.

    2015-05-06T23:59:59.000Z

    A new approach has been tested for the preparation of metal/Mo?C catalysts using mixed-metal oxide molybdates as precursors. Synchrotron-based in situ time-resolved X-ray diffraction was used to study the reduction and carburization processes of Cu?(MoO?)?(OH)?, a-NiMoO? and CoMoO?•nH?O by thermal treatment under mixtures of hydrogen and methane. In all cases, the final product was ?-Mo?C and a metal phase (Cu, Ni, or Co), but the transition sequence varied with the different metals, and it could be related to the reduction potential of the Cu²?, Ni²? and Co²? cations inside each molybdate. The synthesized Cu/Mo?C, Ni/Mo?C and Co/Mo?C catalysts were highlymore »active for the hydrogenation of CO?. The metal/Mo?C systems exhibited large variations in the selectivity towards methanol, methane and CnH?n?? (n > 2) hydrocarbons depending on the nature of the supported metal and its ability to cleave C-O bonds. Cu/Mo?C displayed a high selectivity for CO and methanol production. Ni/Mo?C and Co/Mo?C were the most active catalysts for the activation and full decomposition of CO?, showing high selectivity for the production of methane (Ni case) and CnH?n?? (n > 2) hydrocarbons (Co case).« less

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

    E-Print Network [OSTI]

    zur Loye, Hans-Conrad

    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

  13. 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

  14. The carburization of transition metal molybdates (MxMoO?, M= Cu, Ni or Co) and the generation of highly active metal/carbide catalysts for CO? hydrogenation

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

    Rodriguez, Jose A. [Brookhaven National Lab. (BNL), Upton, NY (United States); Xu, Wenqian [Brookhaven National Lab. (BNL), Upton, NY (United States); Ramirez, Pedro J. [Brookhaven National Lab. (BNL), Upton, NY (United States); Univ. Central De Venezuela, Caracas (Venesuela); Stachiola, Dario [Brookhaven National Lab. (BNL), Upton, NY (United States); Brito, Joaquin L. [Inst. Venezolano de Investigaciones Cientificas, Caracas (Venezuela)

    2015-05-06T23:59:59.000Z

    A new approach has been tested for the preparation of metal/Mo?C catalysts using mixed-metal oxide molybdates as precursors. Synchrotron-based in situ time-resolved X-ray diffraction was used to study the reduction and carburization processes of Cu?(MoO?)?(OH)?, a-NiMoO? and CoMoO?•nH?O by thermal treatment under mixtures of hydrogen and methane. In all cases, the final product was ?-Mo?C and a metal phase (Cu, Ni, or Co), but the transition sequence varied with the different metals, and it could be related to the reduction potential of the Cu²?, Ni²? and Co²? cations inside each molybdate. The synthesized Cu/Mo?C, Ni/Mo?C and Co/Mo?C catalysts were highly active for the hydrogenation of CO?. The metal/Mo?C systems exhibited large variations in the selectivity towards methanol, methane and CnH?n?? (n > 2) hydrocarbons depending on the nature of the supported metal and its ability to cleave C-O bonds. Cu/Mo?C displayed a high selectivity for CO and methanol production. Ni/Mo?C and Co/Mo?C were the most active catalysts for the activation and full decomposition of CO?, showing high selectivity for the production of methane (Ni case) and CnH?n?? (n > 2) hydrocarbons (Co case).

  15. Femtosecond X-ray protein nanocrystallography

    SciTech Connect (OSTI)

    Chapman, Henry N.; Fromme, Petra; Barty, Anton; White, Thomas A.; Kirian, Richard A.; Aquila, Andrew; Hunter, Mark S.; Schulz, Joachim; DePonte, Daniel P.; Weierstall, Uwe; Doak, R. Bruce; Maia, Filipe R. N. C.; Martin, Andrew V.; Schlichting, Ilme; Lomb, Lukas; Coppola, Nicola; Shoeman, Robert L.; Epp, Sascha W.; Hartmann, Robert; Rolles, Daniel; Rudenko, Artem; Foucar, Lutz; Kimmel, Nils; Weidenspointner, Georg; Holl, Peter; Liang, Mengning; Barthelmess, Miriam; Caleman, Carl; Boutet, Sebastien; Bogan, Michael J.; Krzywinski, Jacek; Bostedt, Christoph; Bajt, Sasa; Gumprecht, Lars; Rudek, Benedikt; Erk, Benjamin; Schmidt, Carlo; Homke, Andre; Reich, Christian; Pietschner, Daniel; Struder, Lothar; Hauser, Gunter; Gorke, Hubert; Ullrich, Joachim; Herrmann, Sven; Schaller, Gerhard; Schopper, Florian; Soltau, Heike; Kuhnel, Kai-Uwe; Messerschmidt, Marc; Bozek, John D.; Hau-Riege, Stefan P.; Frank, Matthias; Hampton, Christina Y.; Sierra, Raymond G.; Starodub, Dmitri; Williams, Garth J.; Hajdu, Janos; Timneanu, Nicusor; Seibert, M. Marvin; Andreasson, Jakob; Rocker, Andrea; Jonsson, Olof; Svenda, Martin; Stern, Stephan; Nass, Karol; Andritschke, Robert; Schroter, Claus-Dieter; Krasniqi, Faton; Bott, Mario; Schmidt, Kevin E.; Wang, Xiaoyu; Grotjohann, Ingo; Holton, James M.; Barends, Thomas R. M.; Neutze, Richard; Marchesini, Stefano; Fromme, Raimund; Schorb, Sebastian; Rupp, Daniela; Adolph, Marcus; Gorkhover, Tais; Andersson, Inger; Hirsemann, Helmut; Potdevin, Guillaume; Graafsma, Heinz; Nilsson, Bjorn; Spence, John C. H.

    2011-01-01T23:59:59.000Z

    X-ray crystallography provides the vast majority of macromolecular structures, but the success of the method relies on growing crystals of sufficient size. In conventional measurements, the necessary increase in X-ray dose to record data from crystals that are too small leads to extensive damage before a diffraction signal can be recorded. It is particularly challenging to obtain large, well-diffracting crystals of membrane proteins, for which fewer than 300 unique structures have been determined despite their importance in all living cells. Here we present a method for structure determination where single-crystal X-ray diffraction ‘snapshots’ are collected from a fully hydrated stream of nanocrystals using femtosecond pulses from a hard-X-ray free-electron laser, the Linac Coherent Light Source. We prove this concept with nanocrystals of photosystem I, one of the largest membrane protein complexes. More than 3,000,000 diffraction patterns were collected in this study, and a three-dimensional data set was assembled from individual photosystem I nanocrystals (~200?nm to 2??m in size). We mitigate the problem of radiation damage in crystallography by using pulses briefer than the timescale of most damage processes. This offers a new approach to structure determination of macromolecules that do not yield crystals of sufficient size for studies using conventional radiation sources or are particularly sensitive to radiation damage.

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

    SciTech Connect (OSTI)

    Wang, Hong; Kelley, M.A.

    1989-02-07T23:59:59.000Z

    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.

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

    E-Print Network [OSTI]

    Meagher, Mary

    . 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

  18. Structural analysis of flexible proteins in solution by Small Angle X-ray Scattering combined with crystallography

    E-Print Network [OSTI]

    Tsutakawa, Susan E.; Hura, Greg L.; Frankel, Ken A.; Cooper, Priscilla K.; Tainer, John A.

    2006-01-01T23:59:59.000Z

    and V.N. Uversky, 2005. Flexible nets - The roles ofand T. Ellenberger, 2006. A flexible interface between DNAStructural analysis of flexible proteins in solution by

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

    E-Print Network [OSTI]

    2011-01-01T23:59:59.000Z

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

  20. Propagating Belief Functions in AND-Trees

    E-Print Network [OSTI]

    Srivastava, Rajendra P.; Shenoy, Prakash P.; Shafer, Glenn R.

    1995-01-01T23:59:59.000Z

    }). We refer to these numbers as m-values. To simplify notation, we write m(x) instead of m({x}), and m(~x) instead of m({~x}). In the figures, a bpa function m for X is shown as a 3-vector (m(x), m(~x), m({x, ~x})). In our examples, we have assumed one...], Dempster and Kong [3], Shenoy and Shafer [4], and Shenoy [5]). There are several computer implementations of these methods (see, e.g., Zarley, Hsia and Shafer [6], Hsia and Shenoy [7], Almond [8], Saffiotti and Umkehrer [9], and Xu [10]). The general...

  1. Improving experimental phases for strong reflections prior to density modification

    SciTech Connect (OSTI)

    Uervirojnangkoorn, Monarin [University of Lübeck, Ratzeburger Allee 160, 23538 Lübeck (Germany); University of Lübeck, Ratzeburger Allee 160, 23538 Lübeck (Germany); Hilgenfeld, Rolf, E-mail: hilgenfeld@biochem.uni-luebeck.de [University of Lübeck, Ratzeburger Allee 160, 23538 Lübeck (Germany); Chinese Academy of Sciences, 555 Zu Chong Zhi Road, Shanghai 201203, People’s Republic of (China); Terwilliger, Thomas C. [Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Read, Randy J. [University of Cambridge, Cambridge CB2 0XY (United Kingdom); University of Lübeck, Ratzeburger Allee 160, 23538 Lübeck (Germany)

    2013-10-01T23:59:59.000Z

    A genetic algorithm has been developed to optimize the phases of the strongest reflections in SIR/SAD data. This is shown to facilitate density modification and model building in several test cases. Experimental phasing of diffraction data from macromolecular crystals involves deriving phase probability distributions. These distributions are often bimodal, making their weighted average, the centroid phase, improbable, so that electron-density maps computed using centroid phases are often non-interpretable. Density modification brings in information about the characteristics of electron density in protein crystals. In successful cases, this allows a choice between the modes in the phase probability distributions, and the maps can cross the borderline between non-interpretable and interpretable. Based on the suggestions by Vekhter [Vekhter (2005 ?), Acta Cryst. D61, 899–902], the impact of identifying optimized phases for a small number of strong reflections prior to the density-modification process was investigated while using the centroid phase as a starting point for the remaining reflections. A genetic algorithm was developed that optimizes the quality of such phases using the skewness of the density map as a target function. Phases optimized in this way are then used in density modification. In most of the tests, the resulting maps were of higher quality than maps generated from the original centroid phases. In one of the test cases, the new method sufficiently improved a marginal set of experimental SAD phases to enable successful map interpretation. A computer program, SISA, has been developed to apply this method for phase improvement in macromolecular crystallography.

  2. Macromolecular Research, Vol. 18, No. 8, pp 800-805 (2010) www.springer.com/13233 The Polymer Society of Korea

    E-Print Network [OSTI]

    Hirst, Linda

    2010-01-01T23:59:59.000Z

    Society of Korea Supramolecular Honeycomb and Columnar Assemblies Formed by Self-Assembly of Coil-organize into a variety of supramolecular structures in the bulk state. This paper reports the synthesis and self segments. The self-assembling behav- ior of these materials, which was investigated by differential

  3. Pharmacokinetics and tissue distribution of PGG–paclitaxel, a novel macromolecular formulation of paclitaxel, in nu/nu mice bearing NCI-460 lung cancer xenografts

    E-Print Network [OSTI]

    2010-01-01T23:59:59.000Z

    in nu/nu mice bearing NCI-460 lung cancer xenografts Xingheto mice bearing SC NCI-H460 lung cancer xenografts at a doseÁ Paclitaxel Á Drug delivery Á Lung cancer Abbreviations PGA

  4. xsxsxsxsxsxsxsxsxsxsxsxsxsxsxsxsxsx Michigan State University ExtensionBulletin E-657Major RevisionNov. 1993

    E-Print Network [OSTI]

    xsxsxsxsxsxsxsxsxsxsxsxsxsxsxsxsxsx x Mx Ix Cx Hx Ix Gx Ax Nx x Vx Ex Nx Ix Sx Ox Nx Michigan StateBUTCHERxPREPARE/COOK/PRESERVE #12;xsxsxsxsxsxsxsxsxsxsxsxsxsxsxsxsxsx x Mx Ix Cx Hx Ix Gx Ax N x Vx Ex Nx Ix Sx Ox Nxx Mx Ix Cx Hx bulletin "You and Your Wild Game." #12;x Mx Ix Cx Hx Ix Gx Ax N x Vx Ex Nx Ix Sx Ox Nxx Mx Ix Cx Hx Ix Gx

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

    E-Print Network [OSTI]

    Smith, Cherri Imelda

    1987-01-01T23:59:59.000Z

    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...

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

    SciTech Connect (OSTI)

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

    2008-10-24T23:59:59.000Z

    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.

  7. Entidad Acadmica Nombre del responsable Funcin Telfono de oficina Fax Correo electrnico Facultad de Arquitectura Arq. Guillermina Rosas Lpez Coordinadora de Planeacin y Desarrollo Institucional 56220363 56220364 guille03@servidor.unam.mx

    E-Print Network [OSTI]

    Islas, León

    Facultad de Arquitectura Arq. Guillermina Rosas López Coordinadora de Planeación y Desarrollo Institucional

  8. Challenges and solutions for the analysis of in situ, in crystallo micro-spectrophotometric data

    SciTech Connect (OSTI)

    Dworkowski, Florian S. N., E-mail: florian.dworkowski@psi.ch [Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland); Hough, Michael A. [University of Essex, Wivenhoe Park, Colchester CO4 3SQ (United Kingdom); Pompidor, Guillaume [c/o DESY, Notkestrasse 85, D-22603 Hamburg (Germany); Fuchs, Martin R. [Brookhaven National Laboratory, Mail Stop 745, Upton, NY 11973 (United States); Paul Scherrer Institute, CH-5232 Villigen PSI (Switzerland)

    2015-01-01T23:59:59.000Z

    The particular challenge of the analysis of optical absorption and Raman spectroscopic data measured from protein crystals and how the SLS-APE software toolbox supports scientists in dealing with such data is described. Combining macromolecular crystallography with in crystallo micro-spectrophotometry yields valuable complementary information on the sample, including the redox states of metal cofactors, the identification of bound ligands and the onset and strength of undesired photochemistry, also known as radiation damage. However, the analysis and processing of the resulting data differs significantly from the approaches used for solution spectrophotometric data. The varying size and shape of the sample, together with the suboptimal sample environment, the lack of proper reference signals and the general influence of the X-ray beam on the sample have to be considered and carefully corrected for. In the present article, how to characterize and treat these sample-dependent artefacts in a reproducible manner is discussed and the SLS-APEin situ, in crystallo optical spectroscopy data-analysis toolbox is demonstrated.

  9. Automated MAD and MIR structure solution

    SciTech Connect (OSTI)

    Terwilliger, Thomas C., E-mail: terwilliger@lanl.gov [Structural Biology Group, Mail Stop M888, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Berendzen, Joel [Biophysics Group, Mail Stop D454, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Structural Biology Group, Mail Stop M888, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States)

    1999-04-01T23:59:59.000Z

    A fully automated procedure for solving MIR and MAD structures has been developed using a scoring scheme to convert the structure-solution process into an optimization problem. Obtaining an electron-density map from X-ray diffraction data can be difficult and time-consuming even after the data have been collected, largely because MIR and MAD structure determinations currently require many subjective evaluations of the qualities of trial heavy-atom partial structures before a correct heavy-atom solution is obtained. A set of criteria for evaluating the quality of heavy-atom partial solutions in macromolecular crystallography have been developed. These have allowed the conversion of the crystal structure-solution process into an optimization problem and have allowed its automation. The SOLVE software has been used to solve MAD data sets with as many as 52 selenium sites in the asymmetric unit. The automated structure-solution process developed is a major step towards the fully automated structure-determination, model-building and refinement procedure which is needed for genomic scale structure determinations.

  10. Universit Bordeaux 1 Les Sciences et les Technologies au service de l'Homme et de l'environnement

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    polyurethanes through ADMET polymerization in bulk and green solvent, 2013, Macromolecular Rapid Communications

  11. Plan d'tudes Gnie chimique et biotechnologie 2013-14

    E-Print Network [OSTI]

    CGC Wandrey 2h Eté Pendant le semestre 2 Supramolecular aspects of polymeric materials E MSE-488 MX MSE-437 MX Klok 2h 1h Hiv Pendant le semestre 3 Polymer physical chemistry and materials properties E

  12. Neuronal Multiple Temporal Scales CervantesPrez et al 1 Neuronal networks working at multiple temporal scales as a basis

    E-Print Network [OSTI]

    Department, Instituto Tecnológico Autónomo de México (ITAM) Río Hondo No.1, San Angel Tizapán; 01000 México D.F. cervante@itam.mx; alfredo@itam.mx b Department of Physics and Astronomy, University of Pittsburgh

  13. 6. G. G. Lorentz, Approximation of Functions, 2nd ed., Chelsea, New York, 1986. 7. M. Uchiyama, Korovkin-type theorems for Schwarz maps and operator monotone functions in C-

    E-Print Network [OSTI]

    Goldstein, Larry

    ­336. Mathematics Department, Instituto Tecnol´ogico Aut´onomo de M´exico (ITAM), M´exico DF 01000 lomeli@itam.mx, clgarcia@itam.mx A Statistical Characterization of Regular Simplices Ian Abramson and Larry Goldstein 1

  14. A Neural Schema Architecture for Autonomous Robots Alfredo Weitzenfeld

    E-Print Network [OSTI]

    , MEXICO Email: alfredo@lamport.rhon.itam.mx Ronald Arkin College of Computing Georgia Institute, MEXICO Email: cervante@lamport.rhon.itam.mx Roberto Olivares College of Computing Georgia Institute

  15. Neuronal Multiple Temporal Scales Cervantes-Prez et al 1 Neuronal networks working at multiple temporal scales as a basis

    E-Print Network [OSTI]

    Department, Instituto Tecnológico Autónomo de México (ITAM) Río Hondo No.1, San Angel Tizapán; 01000 México D.F. cervante@itam.mx; alfredo@itam.mx b Department of Physics and Astronomy, University of Pittsburgh

  16. Abstract--The robotic implementation of Rana computatrix uses a geometric algorithm to regain visual input that is "lost"

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    at CANNES Lab of ITAM. (email: natof@prodigy.net.mx) Alfredo Weitzenfeld is a professor and director of the Robotics Lab and CANNES Lab atITAM. (email: alfredo@itam.mx) described with corresponding results

  17. Package `BNPdensity' August 29, 2013

    E-Print Network [OSTI]

    Nieto Barajas, Luis E.

    by Ernesto Barrios Maintainer Ernesto Barrios itam.mx> Description Ferguson-Klass type algorithm(s) Barrios, E., Nieto-Barajas, L.E. and Pruenster, I. Maintainer: itam.mx> Ernesto Barrios

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

    E-Print Network [OSTI]

    Boren, Donald Frank

    1962-01-01T23:59:59.000Z

    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...

  19. ALGEBRAIC GROUPS: PART III EYAL Z. GOREN, MCGILL UNIVERSITY

    E-Print Network [OSTI]

    Goren, Eyal Z.

    be the maximal ideal of k[X] comprising the functions vanishing at x. Then, OX,x = k[X]mx , mx = MOX,x, and so OX

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

    E-Print Network [OSTI]

    Mejia-Alvarez, Pedro

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

  1. Controlling Mobile Robots with Distributed Neuro-Biological Systems

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    Dept, ITAM Rio Hondo 1, San Angel Tizapan Mexico City, MEXICO, 01000 Email: alfredo@itam.mx Sebastian

  2. A. Weitzenfeld: NSL Neural Simulation Language 1 Neural Simulation Language

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    : +52-55-56284060 Fax: +52-55-56162211 email: alfredo@itam.mx #12;A. Weitzenfeld: NSL Neural Simulation

  3. Narutoshi Nakata and Erin Krug Department of Civil Engineering

    E-Print Network [OSTI]

    Table Test Hybrid Test xg Effective Force Test x f = -mxg mx+cx+ R x( )= -mxg Eq. of Motion: Eq. of Motion: Eq. of Motion: mx+cx+ R x( )= -mxg mx+cx+ R x( )= -mxg #12;Comparison of Experimental Methods Shake Table Test Hybrid Test xg Effective Force Test x f = -mxg mx+cx+ R x( )= -mxg Eq. of Motion: Eq

  4. Posgrado en Ciencias de la Tierra (PLANES DE ESTUDIO)

    E-Print Network [OSTI]

    Grutter, Michel

    Atmosféricas, Espaciales y Planetarias. http://www.geofisica.unam.mx/posgrado/planesEst/campo4.php #12;

  5. Conditioned stochastic differential equations: theory, examples and ...

    E-Print Network [OSTI]

    2002-07-03T23:59:59.000Z

    Keywords: Brownian bridge; Conditioning; Initial enlargement of filtration; Exponential generalization of. Pitman's 2M-X theorem; Filtering; Portfolio optimization.

  6. Money-Back Guarantees Bruce McWilliamsy

    E-Print Network [OSTI]

    Bandyopadhyay, Antar

    from the buyer. We thank Rich McLean for useful comments. y Department of Business Administration, ITAM, Mexico City, bruce@itam.mx z CIE and Department of Economics, ITAM, Mexico City, sharma@itam.mx x CIE and Department of Economics, ITAM; Mexico City, levent.ulku@itam.mx 1 #12;1 Introduction A seller is interested

  7. Total lightning observations of severe convection over North Texas

    E-Print Network [OSTI]

    McKinney, Christopher Michael

    2009-05-15T23:59:59.000Z

    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...

  8. Studies Plan Science et gnie des matriaux 2013-14

    E-Print Network [OSTI]

    Floreano, Dario

    -490(b) MX Profs divers 10h Sum During the semester 10 Seminar series on advances in materials E MSE p Advanced nanomaterials E MSE-477 MX Hofmann 2h Win During the semester 2 Advanced semiconductor 2 Cementitious materials (advanced) E MSE-420 MX Scrivener 2h Win During the semester 2 Composites

  9. DIRECTORIO DE EXTENSIONES TELEFONICAS NUMERO CONMUTADOR: 942-94-00

    E-Print Network [OSTI]

    . Director 9401 (999)9429401 decoss@mda.cinvestav.mx A MARTINEZ AGUILAR, Maria Antonieta Asistente del Director 2214 tony@mda.cinvestav.mx A SOLIS PINTO, Monserrat AVILA TAMAYO, Wilberth Esteban 2222 javila@mda 9402 (999)9429402 ozapata@mda.cinvestav.mx A FALLA MARTINEZ, Cindy Gabriela Asistente del Secretario

  10. Hadronic mass moments in inclusive semileptonic B meson decays

    E-Print Network [OSTI]

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

    2001-12-01T23:59:59.000Z

    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)) = ...

  11. Vegetative Propagation and Topophytic Responses of Selected Baldcypress Clones

    E-Print Network [OSTI]

    King, Andrew Richard

    2012-10-19T23:59:59.000Z

    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...

  12. SCIENTIFIC ADVISORY COMMITTEE A.N. Skrinsky (chairman), Novosibirsk

    E-Print Network [OSTI]

    , Moscow V.M. Fomin, ITAM SB RAS, Novosibirsk M.V. Kovalchuk, Institute of Crystallography RAS, Moscow G

  13. LANSCE | Lujan Center | Instruments

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

    HIPPO, NPDF, SMARTS Engineering Diffraction: SMARTS Reflectometer: ASTERIX Small Angle Neutron Scattering: LQD Protein Crystallography: PCS Single Crystal Diffractometer:...

  14. 391st Brookhaven Lecture

    ScienceCinema (OSTI)

    Bob Sweet

    2010-09-01T23:59:59.000Z

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

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

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

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

  16. CrowdPhase: crowdsourcing the phase problem

    SciTech Connect (OSTI)

    Jorda, Julien; Sawaya, Michael R. [Institute for Genomics and Proteomics, 611 Charles Young Drive East, Los Angeles, CA 90095 (United States); Yeates, Todd O., E-mail: yeates@mbi.ucla.edu [Institute for Genomics and Proteomics, 611 Charles Young Drive East, Los Angeles, CA 90095 (United States); Molecular Biology Institute, 611 Charles Young Drive East, Los Angeles, CA 90095 (United States); University of California, 611 Charles Young Drive East, Los Angeles, CA 90095 (United States)

    2014-06-01T23:59:59.000Z

    The idea of attacking the phase problem by crowdsourcing is introduced. Using an interactive, multi-player, web-based system, participants work simultaneously to select phase sets that correspond to better electron-density maps in order to solve low-resolution phasing problems. The human mind innately excels at some complex tasks that are difficult to solve using computers alone. For complex problems amenable to parallelization, strategies can be developed to exploit human intelligence in a collective form: such approaches are sometimes referred to as ‘crowdsourcing’. Here, a first attempt at a crowdsourced approach for low-resolution ab initio phasing in macromolecular crystallography is proposed. A collaborative online game named CrowdPhase was designed, which relies on a human-powered genetic algorithm, where players control the selection mechanism during the evolutionary process. The algorithm starts from a population of ‘individuals’, each with a random genetic makeup, in this case a map prepared from a random set of phases, and tries to cause the population to evolve towards individuals with better phases based on Darwinian survival of the fittest. Players apply their pattern-recognition capabilities to evaluate the electron-density maps generated from these sets of phases and to select the fittest individuals. A user-friendly interface, a training stage and a competitive scoring system foster a network of well trained players who can guide the genetic algorithm towards better solutions from generation to generation via gameplay. CrowdPhase was applied to two synthetic low-resolution phasing puzzles and it was shown that players could successfully obtain phase sets in the 30° phase error range and corresponding molecular envelopes showing agreement with the low-resolution models. The successful preliminary studies suggest that with further development the crowdsourcing approach could fill a gap in current crystallographic methods by making it possible to extract meaningful information in cases where limited resolution might otherwise prevent initial phasing.

  17. Protein Characterisation by Synchrotron Radiation Circular Dichroism (SRCD) Spectroscopy

    SciTech Connect (OSTI)

    Wallace, B.

    2009-01-01T23:59:59.000Z

    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.

  18. Structure of acostatin, a dimeric disintegrin from Southern copperhead (Agkistrodon contortrix contortrix), at 1.7 Å resolution

    SciTech Connect (OSTI)

    Moiseeva, Natalia [National Synchrotron Light Source, Brookhaven National Laboratory, Building 725D, Upton, NY 11973 (United States); Bau, Robert, E-mail: bau@usc.edu [Chemistry Department, University of Southern California, Los Angeles, CA 90089 (United States); Swenson, Stephen D.; Markland, Francis S. Jr [Department of Biochemistry and Molecular Biology and Norris Comprehensive Cancer Center, Keck School of Medicine, University of Southern California, Los Angeles, CA 90033 (United States); Choe, Jun-Yong [Division of Chemistry and Chemical Engineering, Howard Hughes Medical Institute/California Institute of Technology, Pasadena, CA 91125 (United States); Liu, Zhi-Jie [Departments of Biochemistry and Molecular Biology and Chemistry, University of Georgia, Athens, GA 30602 (United States); Allaire, Marc, E-mail: bau@usc.edu [National Synchrotron Light Source, Brookhaven National Laboratory, Building 725D, Upton, NY 11973 (United States)

    2008-04-01T23:59:59.000Z

    Two acostatin heterodimers interact together to form an ???? tetramer. Disintegrins are a family of small (4–14 kDa) proteins that bind to another class of proteins, integrins. Therefore, as integrin inhibitors, they can be exploited as anticancer and antiplatelet agents. Acostatin, an ?? heterodimeric disintegrin, has been isolated from the venom of Southern copperhead (Agkistrodon contortrix contortrix). The three-dimensional structure of acostatin has been determined by macromolecular crystallography using the molecular-replacement method. The asymmetric unit of the acostatin crystals consists of two heterodimers. The structure has been refined to an R{sub work} and R{sub free} of 18.6% and 21.5%, respectively, using all data in the 20–1.7 Å resolution range. The structure of all subunits is similar and is well ordered into N-terminal and C-terminal clusters with four intramolecular disulfide bonds. The overall fold consists of short ?-sheets, each of which is formed by a pair of antiparallel ?-strands connected by ?-turns and flexible loops of different lengths. Conformational flexibility is found in the RGD loops and in the C-terminal segment. The interaction of two N-terminal clusters via two intermolecular disulfide bridges anchors the ?? chains of the acostatin dimers. The C-terminal clusters of the heterodimer project in opposite directions and form a larger angle between them in comparison with other dimeric disintegrins. Extensive interactions are observed between two heterodimers, revealing an ???? acostatin tetramer. Further experiments are required to identify whether the ???? acostatin complex plays a functional role in vivo.

  19. Structure of Acostatin, a Dimeric Disintegrin From Southern Copperhead (Agkistrodon Contortrix Contortrix), at 1.7 Angstrom Resolution

    SciTech Connect (OSTI)

    Moiseeva, N.; Bau, R.; Swenson, S.D.; Marklund, F.S.; Jr.; Choe, J.-Y.; Liu, Z.-J.; Allaire, M.

    2009-05-26T23:59:59.000Z

    Disintegrins are a family of small (4-14 kDa) proteins that bind to another class of proteins, integrins. Therefore, as integrin inhibitors, they can be exploited as anticancer and antiplatelet agents. Acostatin, an {alpha}{beta} heterodimeric disintegrin, has been isolated from the venom of Southern copperhead (Agkistrodon contortrix contortrix). The three-dimensional structure of acostatin has been determined by macromolecular crystallography using the molecular-replacement method. The asymmetric unit of the acostatin crystals consists of two heterodimers. The structure has been refined to an R{sub work} and R{sub free} of 18.6% and 21.5%, respectively, using all data in the 20-1.7 {angstrom} resolution range. The structure of all subunits is similar and is well ordered into N-terminal and C-terminal clusters with four intramolecular disulfide bonds. The overall fold consists of short {beta}-sheets, each of which is formed by a pair of antiparallel {beta}-strands connected by {beta}-turns and flexible loops of different lengths. Conformational flexibility is found in the RGD loops and in the C-terminal segment. The interaction of two N-terminal clusters via two intermolecular disulfide bridges anchors the {alpha}{beta}chains of the acostatin dimers. The C-terminal clusters of the heterodimer project in opposite directions and form a larger angle between them in comparison with other dimeric disintegrins. Extensive interactions are observed between two heterodimers, revealing an {alpha}{beta}{beta}{alpha} acostatin tetramer. Further experiments are required to identify whether the {alpha}{beta}{beta}{alpha} acostatin complex plays a functional role in vivo.

  20. Communications to the Editor Bull. Korean Chem. Soc. 2001, Vol. 22, No. 3 261 Novel Macromolecular Self-organization of Poly(ethylene glycol)-block-poly(L-histidine)

    E-Print Network [OSTI]

    Park, Jong-Sang

    -group protected bio- degradable poly(amino acid) chain have potential utility as drug delivery systems.6(L-histidine), which is a bio- degradable polypeptide10 and thought to possess an am- photeric nature due by repeated liquid phase peptide synthesis using fluoren-9-ylmethoxycarbonyl (Fmoc) chem- istry.13 m

  1. Dr Stphane Thore is using the X-ray crystallography technique to develop atomic models of RNA processing machines while working to promote this important research field to postgraduate students

    E-Print Network [OSTI]

    Laemmli, Ulrich

    with the private sector through service contract agreements, exemplified by our recent successful structural

  2. Crystallography and Physical Properties of BaCo2As2, Ba0.94K0.06Co2As2, and Ba0.78K0.22Co2As2

    SciTech Connect (OSTI)

    Anand, V K [Ames Laboratory; Quirinale, Dante G [Ames Laboratory; Lee, Yongbin [Ames Laboratory; Harmon, Bruce N [Ames Laboratory; Furukawa, Yuji [Ames Laboratory; Ogloblichev, V V [Ural Division of Russian Academy of Science; Huq, A [Oak Ridge National Laboratory; Abernathy, D L [Oak Ridge National Laboratory; Stephens, P W [SUNY of Stony Brook; McQueeney, Robert J [Ames Laboratory; Kreyssig, Aandreas [Ames Laboratory; Goldman, Alan I [Ames Laboratory; Johnston, David C [Ames Laboratory

    2014-08-01T23:59:59.000Z

    The crystallographic and physical properties of polycrystalline and single crystal samples of BaCo2As2 and K-doped Ba{1-x}K{x}Co2As2 (x = 0.06, 0.22) are investigated by x-ray and neutron powder diffraction, magnetic susceptibility chi, magnetization, heat capacity Cp, {75}As NMR and electrical resistivity rho measurements versus temperature T. The crystals were grown using both Sn flux and CoAs self-flux, where the Sn-grown crystals contain 1.6-2.0 mol% Sn. All samples crystallize in the tetragonal ThCr2Si2-type structure (space group I4/mmm). For BaCo2As2, powder neutron diffraction data show that the c-axis lattice parameter exhibits anomalous negative thermal expansion from 10 to 300 K, whereas the a-axis lattice parameter and the unit cell volume show normal positive thermal expansion over this T range. No transitions in BaCo2As2 were found in this T range from any of the measurements. Below 40-50 K, we find rho ~ T^2 indicating a Fermi liquid ground state. A large density of states at the Fermi energy D(EF) ~ 18 states/(eV f.u.) for both spin directions is found from low-T Cp(T) measurements, whereas the band structure calculations give D(EF) = 8.23 states/(eV f.u.). The {75}As NMR shift data versus T have the same T dependence as the chi(T) data, demonstrating that the derived chi(T) data are intrinsic. The observed {75}As nuclear spin dynamics are consistent with the presence of ferromagnetic and/or stripe-type antiferromagnetic spin fluctuations. The crystals of Ba{0.78}K{0.22}Co2As2 were grown in Sn flux and show properties very similar to those of undoped BaCo2As2. On the other hand, the crystals from two batches of Ba{0.94}K{0.06}Co2As2 grown in CoAs self-flux show evidence of weak ferromagnetism at T < 10 K with small ordered moments at 1.8 K of 0.007 and 0.03 muB per formula unit, respectively.

  3. Novel mechanisms for regulating polyphosphate metabolism in Saccharomyces cerevisiae

    E-Print Network [OSTI]

    Neef, Daniel Wilhelm

    2005-11-01T23:59:59.000Z

    Zygosaccharomyces rouxii recombinase site that remains after intramolecular recombination (60). The strains and their relevant (all are MATa leu2?0 lys2?0 ura3?0 pho3?::R) genotypes are DNY742 (wild-type; MATa bar1?::R-URA3-R), THY868 25 (MATa bar1?::R...-URA3-R pho4?::kanMX4), DNY989 (MATa bar1?::R-URA3-R pho2?::kanMX4), DNY925 (MATa bar1?::R-URA3-R pho81?::kanMX4), DNY986 (MATa bar1?::R-URA3-R gcn5?::kanMX4), DNY1309 (MATa snf2/swi2?::kanMX4), DNY1673 (MATa bar1?::R-URA3-R phm3?::kanMX4), DNY2464...

  4. DEPARTAMENTO DE RECURSOS DEL MAR

    E-Print Network [OSTI]

    de Campeche, Yucatán. Categoría en el SNI: Nivel I tbrule@mda.cinvestav.mx Luis René Antonio Capurro

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

    E-Print Network [OSTI]

    2007-01-01T23:59:59.000Z

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

  6. SEPARATRIX SPLITTING IN 3D VOLUME-PRESERVING MAPS HECTOR E. LOMELi AND RAFAEL RAMiREZ-ROS

    E-Print Network [OSTI]

    of Mathematics, Instituto Tecnol´ogico Aut´onomo de M´exico, Mexico, DF 01000 (lomeli@itam.mx). HL was supported

  7. Nombre: Alfredo Weitzenfeld Afiliacin: Instituto Tecnolgico Autnomo de Mxico

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    Teléfono: 56284000 ext 3614 Fax: 56162211 Email: alfredo@lamport.rhon.itam.mx Web Site: http://cannes.rhon.itam

  8. MIRO: A DISTRIBUTED EMBEDDED ARCHITECTURE FOR VISUALLY-GUIDED NEUROETHOLOGICAL AUTONOMOUS ROBOTS

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    #1, San Angel Tizapán México, DF 01000 MEXICO alfredo@itam.mx Abstract An alternative to traditional

  9. Robot Command, Interrogation and Teaching via Social Interaction

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    Martinez, Antonio Medrano (alfredo@itam.mx) ITAM, San Angel Tizapán, México DF, CP 0100 http://robotica.itam

  10. Optimization Online - A Sequential Quadratic Programming ...

    E-Print Network [OSTI]

    Jose Luis Morales

    2008-12-29T23:59:59.000Z

    Dec 29, 2008 ... A Sequential Quadratic Programming Algorithm with an Additional Equality Constrained Phase. Jose Luis Morales(jmorales ***at*** itam.mx)

  11. Discrete time Markov gamma processes and time depen-dent covariates in survival analysis

    E-Print Network [OSTI]

    Nieto Barajas, Luis E.

    . Nieto-Barajas ITAM, Department of Statistics R´io Hondo 1 Mexico D.F. 01000, Mexico lnieto@itam.mx 1

  12. ASL/NSL: A MULTI-LEVEL COMPUTATIONAL MODEL FOR DISTRIBUTED NEURAL SIMULATION*

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    , CP 01000 México DF, MEXICO alfredo@lamport.rhon.itam.mx Sebastián Gutiérrez Department of Information

  13. CMM compliance in small organizations Francisco Alvarez

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    Ciencias Computacionales Instituto Tecnológico Autónomo de México (ITAM) alfredo@itam.mx 1. Introduction

  14. ASIGNATURAS 2013-1 (AGOSTO-DICIEMBRE 2012) No. CLAVE PLAN

    E-Print Network [OSTI]

    Islas, León

    Rojas (dianar@geofisica.unam.mx) FECHA DE PRIMERA REUNION Martes 7 de agosto a las 11:00 en las aulas de

  15. Facolt di Architettura e Societ anno accademico 2012/2013 Attenzione! Controllare i corsi di laurea di riferimento

    E-Print Network [OSTI]

    Bahia (architettura specialistica) www.portal.ufba.br Dorigati 3 Universidade Federal de Santa (architettura specialistica) www.itesm.mx Molon 4 RUSSIA Moscow Institute of Architecture (architettura

  16. 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...

  17. 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...

  18. 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...

  19. 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...

  20. ambientales por medio: Topics by E-print Network

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

    Una vez se han generado las Politcnica de Catalunya, Universitat 8 El Universal -Ciencia -Factores ambientales influyen en esquizofrenia http:www.eluniversal.com.mx...

  1. avanzado del conducto: 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...

  2. 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...

  3. 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...

  4. 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...

  5. 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...

  6. 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...

  7. Preparation and electrochemical/thermal properties of LiNi0.74Co0.26O2 cathode material

    E-Print Network [OSTI]

    Park, Byungwoo

    oxygen as a result of decomposition into MxOy (MCo or Mn) and O2. The LiNiO2 phase also shows a lower

  8. 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.

  9. 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.

  10. download here my CV

    E-Print Network [OSTI]

    Author

    2012-03-19T23:59:59.000Z

    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.

  11. 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...

  12. DEPARTAMENTO DE FISIOLOGA, BIOFSICA Y

    E-Print Network [OSTI]

    ) Universidad de Buenos Aires, Argentina. Temas de investigación: Fisiología celular y molecular de membranas la membrana. Diferenciación celular. cereijido@fisio.cinvestav.mx Rubén Gerardo Contreras Patiño

  13. Imprimir pgina en el sigloXXI

    E-Print Network [OSTI]

    Talanquer, Vicente A.

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

  14. Families of Continuous Distributions October 6, 2009

    E-Print Network [OSTI]

    Watkins, Joseph C.

    b, 0 otherwise. EX = a + b 2 , Var(X) = (b - a)2 12 , MX(t) = 1 (b - a)t (etb - eta ). 2 Exponential

  15. 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 energy

  16. 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]

    Huang, Haimei

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

  17. RESEARCH ACTIVITIES Division of Heat and Power Technology

    E-Print Network [OSTI]

    Kazachkov, Ivan

    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

  18. Studies Plan Gnie chimique et biotechnologie 2013-14

    E-Print Network [OSTI]

    Wandrey 2h Sum During the semester 2 Supramolecular aspects of polymeric materials E MSE-488 MX Frauenrath and materials properties E MSE-431 MX Klok-Lermann 2h 1h Sum During the semester 3 Block 3 Courses Master 1

  19. Return of the Rat: Biologically-Inspired Robotic Exploration and Navigation*

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    Ramírez and Alfredo Weitzenfeld Ridel Instituto Tecnológico Autónomo de México (ITAM) Computer Engineering abarrera@itam.mx, alfredo@itam.mx .Abstract ­ In this paper we present a biologically- inspired robotic is partially supported by collaboration projects UC MEXUS CONACYT (ITAM ­ UCSC), LAFMI CONACYT (ITAM ­ ISC

  20. PROFESOR:LUIS E. NIETO BARAJAS Maestra en Administracin Estadstica y Pronsticos

    E-Print Network [OSTI]

    Nieto Barajas, Luis E.

    ESTADÍSTICAPARANEGOCIOS Maestría en administración PROFESOR: LUIS E. NIETO BARAJAS EMAIL: lnieto@itam.mx URL: http://allman.rhon.itam. (2005). Estadística y Pronósticos. Documento de trabajo del departamento de estadística (ITAM), Serie A. Disponible en: http://allman.rhon.itam.mx/~mendoza/material/ Ø REFERENCIAS ADICIONALES: q Aguirre, V. et al

  1. Barrera A., Weitzenfeld A., Journal of Autonomous Robots, Springer, ISSN 0929-5593 Abstract--This paper presents a robot architecture with

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    This research was partially supported by collaboration projects UC MEXUSCONACYT (ITAM ­ UCSC), LAFMI CONACYT (ITAM ­ ISC), NSF CONACYT (ITAM ­ UCI) under grant #42440 and "Asociación Mexicana de Cultura, S. A DF, México (e-mail: abarrera@itam.mx, alfredo@itam.mx). observed at different points in time

  2. Proceedings of the 1st IEEE Latin American Robotics Symposium LARS 2004 Mexico city, Mexico. October 28 29, 2004.

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    the vision system developed in the ITAM Small Size Team (Eagle Knights) explaining the main algorithms System for a Small Size League Team Luis A. Martinez-Gomez Alfredo Weitzenfeld luis@mcculloch.itam.mx alfredo@itam.mx Comp Eng Dept, ITAM Rio Hondo 1, San Angel Tizapan Mexico City, Mexico, 01000 #12;7 3

  3. THE INSTITUTE OF ELECTRONICS, INFORMATION AND COMMUNICATION ENGINEERS

    E-Print Network [OSTI]

    Takiguchi, Tetsuya

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

  4. The Loss of Ecosystem Services on the Yucatn Peninsula in the 21st Century

    E-Print Network [OSTI]

    New Hampshire, University of

    The Loss of Ecosystem Services on the Yucatán Peninsula in the 21st Century Case study: mangrove loss in Mexico (MX) & Belize (BZ) Natallia Leuchanka Environmental Science: Ecosystems; International Reardon #12;#12;Akumal, Mexico (MX) Sarteneja, Belize (BZ) #12;· Ecosystem: a dynamic complex of plant

  5. NARD: Neighbor-assisted route discovery in MANETs J. Gomez V. Rangel M. Lopez-Guerrero

    E-Print Network [OSTI]

    Gomez-Castellanos, Javier

    of Electrical Engineering, National Autonomous University of Mexico, Mexico City, Mexico e-mail: javierg as multi-hop routing. Since the origins of ad-hoc net- working in the 1970s, finding routes among nodes has@fi-b.unam.mx V. Rangel e-mail: victor@fi-b.unam.mx M. Lopez-Guerrero Á M. Pascoe Department of Electrical

  6. On terminal deltawye reducibility of planar graphs

    E-Print Network [OSTI]

    Sagols, Feliú

    On terminal delta­wye reducibility of planar graphs Isidoro Gitler1 Feli´u Sagols2 Departamento de´exico City, D.F. igitler@math.cinvestav.mx fsagols@math.cinvestav.mx Abstract A graph is terminal - Y -reducible if it can be reduced to a set of terminal vertices by a sequence of series-parallel reductions

  7. UNIDAD QUERTARO La Unidad Quertaro del Cinvestav ofrece el Programa de Posgrado de Maes-

    E-Print Network [OSTI]

    tortilla de maíz. Efecto del procesamiento en la calidad nutricional de la tortilla de maíz. Efecto del producción de enzimas. Calidad de las razas de maíces y sus usos potenciales. Uso del cocimiento ohmico para la caracterización de calidad de maíces. jfigueroa@qro.cinvestav.mx; figueroa@ciateq.net.mx Alberto

  8. DEPARTAMENTO DE ECOLOGA HUMANA

    E-Print Network [OSTI]

    problemática ecológica-ambiental, al manejo de recursos natu- rales y al desarrollo rural. ecastana@mda.cinvestav.mx Índice #12;646/6 María Teresa Castillo Burguete. Investigadora Adjunta. Maestra en Desarrollo Rural (1989 desarrollo rural. castillo@mda.cinvestav.mx Heriberto Cuanalo de la Cerda. Investigador Titular. Doctor en

  9. DEPARTAMENTO DE PERSONAL ACADMICO Y TEMAS

    E-Print Network [OSTI]

    hereditarios y la diferenciación celular. Categoría en el SNI: Nivel I gavila@cinvestav.mx Jorge Cerbón: Levaduras: dinámica de esfingolípidos durante la proliferación celular. Entamoeba histolytica: relación. Muerte celular (apoptosis). Categoría en el SNI: Nivel II aguerrero@cinvestav.mx Ricardo Mondragón Flores

  10. UNIVERSITY OF CALIFORNIA, SANTA CRUZ CHEMISTRY & BIOCHEMISTRY DEPARTMENT

    E-Print Network [OSTI]

    California at Santa Cruz, University of

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

  11. LCLS-scheduling-run_V_Ver9c.xlsx

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

    Wide Angle X-ray Scattering and Nano- Crystallography Diffraction Studies of Ultrafast Membrane Protein DynamicsMerged with L433 L401 CXI ABBEY, BRIAN...

  12. Beamlines Directory | Advanced Photon Source

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

    anomalous dispersion Small-angle x-ray scattering Subatomic (<0.85 ) resolution Surface diffraction Surface diffraction (UHV) Time-resolved crystallography Time-resolved...

  13. LANSCE | Lujan Center | Software | popLA

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

    Asterix Powder Diffractometers HIPD HIPPO NPDF Engineering Diffraction SMARTS Small Angle Scattering LQD Protein Crystallography PCS Neutron Imaging Capability Neutron Radiography...

  14. Reflections on our Past, Present, and Future

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

    and quantum materials. Additional projects include the upgrade of existing beamlines-SAX-WAX (together with the Molecular Foundry), small molecule crystallography, spin-ARPES,...

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

    SciTech Connect (OSTI)

    Barends, Thomas, R.M.

    2013-11-25T23:59:59.000Z

    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.

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

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

    Barends, Thomas, R.M.

    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.

  17. Proteins

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

    Get Expertise Cliff Unkefer Director, Protein Crystallography Station Email Tom Terwilliger Laboratory Fellow Email Andrew Bradbury Bioscience Group Leader Email Rebecca...

  18. Proteins

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

    and Design Andrew Bradbury Protein Engineering Geoff Waldo Structural Biology Tom Terwilliger LANL Facilities and Resources * Protein Crystallography Station: Scientists at this...

  19. PowerPoint Presentation

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

    The Bioscience Division has built a Protein Crystallography Station (PCS) at the Lujan Neutron Scattering Center for the international structural biology community to...

  20. 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...

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

    SciTech Connect (OSTI)

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

    1997-05-01T23:59:59.000Z

    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.

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

    E-Print Network [OSTI]

    McCombs, Jessica R. (Jessica Rose)

    2013-01-01T23:59:59.000Z

    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 ...

  3. Enhanced Optical Effects from Excitons in Multi-Chromophore Systems...

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

    been translated into technology in the areas of two-photon organic materials for eye and sensor protection, large dielectric and energy storage effects in organic macromolecular...

  4. The Kinetochore-Bound Ska1 Complex Tracks Depolymerizing Microtubules and Binds to Curved Protofilaments

    E-Print Network [OSTI]

    Arthanari, Haribabu

    To ensure equal chromosome segregation during mitosis, the macromolecular kinetochore must remain attached to depolymerizing microtubules, which drive chromosome movements. How kinetochores associate with depolymerizing ...

  5. Research Institute of Micro/Nanometer Science & Technology Multiple Openings : Chemistry, Materials Science, Nanotechnology

    E-Print Network [OSTI]

    Alpay, S. Pamir

    Science, Nanotechnology Shanghai, China We have several job openings for experienced polymer chemists / nanotechnology. We will consider hiring chemists who are skillful in macromolecular synthesis ("click chemistry

  6. Steven C. Zimmerman Roger Adams Professor of Chemistry

    E-Print Network [OSTI]

    Bashir, Rashid

    and Disciplinary Service Coorganizer, Symposium on Supramolecular Chemistry at the Interface of Materials, Biology, Supramolecular Chemistry Panel of the NSF Macromolecular, Supramolecular and Nanochemistry (MSN) program, Arlington, VA on March 12-13, 2012. National Science Foundation, Macromolecular and Supramolecular Panel 2

  7. Mexican border: an economic alternative for a meatpacking plant

    E-Print Network [OSTI]

    Chapa-Dominiguez, Hervey

    1989-01-01T23:59:59.000Z

    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...

  8. Mesoporous Block Copolymer Battery Separators

    E-Print Network [OSTI]

    Wong, David Tunmin

    2012-01-01T23:59:59.000Z

    electrode, and graphite (CGP-G8) was used as the activeMX-6). The graphite CGP-G8 used for the anode was purchasedinto coin cells. The CGP-G8 anode was prepared in the same

  9. 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...

  10. 550077 9966110011 66 7777332244 551166--22000077 FFAAXX

    E-Print Network [OSTI]

    Huang, Haimei

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

  11. 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]

    Miles, Christopher J.

    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 ...

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

    E-Print Network [OSTI]

    Mejia-Alvarez, Pedro

    . 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

  13. Weitzenfeld, A., Journal Robotics and Autonomous Systems, Elsevier Vol 56, No. 2 pp 177-197, Feb 200, ISSN 0921-8890 From Schemas to Neural Networks: A Multi-level Modeling Approach to Biologically-

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    Mexico Autonomous Institute of Technology (ITAM) Rio Hondo #1, San Angel Tizapan, CP 01000, Mexico DF, MEXICO tel: +52-55-56284060 fax: +52-55-56284065 email: alfredo@itam.mx #12;Weitzenfeld, A., Journal

  14. IEEE TRANSACTIONS ON BIOMEDICAL ENGINEERING, VOL. 51, NO. 9, SEPTEMBER 2004 1599 Classification of Anatomical Structures in MR Brain

    E-Print Network [OSTI]

    Jepson, Allan D.

    , Instituto Tecnológico Autónomo de México, Tizapán San Ángel, México D.F. 01000, México (e-mail: algorri@itam, Universidad Nacional Autónoma de México, México D.F. 01000, México (e-mail: fflores@alumnos.itam.mx). Digital

  15. Optimization Online - Enter Your Password to Continue

    E-Print Network [OSTI]

    If you forgot your password, select your e-mail address: jmorales@itam.mx, nocedal@eecs.northwestern.edu, rainson.wood@gmail.com. (You will only receive ...

  16. Weitzenfeld A., Dominey P., Lecture Notes in Computer Science, Vol 4434, pp 379-386 Springer, 2007, ISSN 0302-9743

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    Weitzenfeld1 , Peter Ford Dominey2 1 ITAM, San Angel Tizapán, México DF, CP 0100 alfredo@itam.mx http://www.cannes.itam

  17. Optimization Online - On the Solution of Complementarity Problems ...

    E-Print Network [OSTI]

    L. Feng

    2009-07-30T23:59:59.000Z

    Jul 30, 2009 ... V. Linetsky(linetsky ***at*** iems.northwestern.edu) J.L Morales(jmorales ***at*** itam.mx) J. Nocedal(nocedal ***at*** eecs.northwestern.edu).

  18. Inferences on the ratio of normal means and other related problems

    E-Print Network [OSTI]

    Mendoza Ramírez, Manuel

    ´istica ITAM, R´io Hondo 1, San Angel 01000 M´exico D.F., M´exico e-mail: mendoza@itam.mx Summary The problem

  19. Eagle Knights 2006: Four-Legged League Alfredo Weitzenfeld1

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    , Bernardo Muciño1 , Gabriela Serrano1 , Carlos Ramos1 , and Carlos Rivera1 1 Robotics Laboratory Lab, ITAM, Rio Hondo 1, 01000 DF, Mexico alfredo@itam.mx Abstract. In this paper we present the system

  20. Eagle Knights 2007: Four-Legged League Alfredo Weitzenfeld1

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    , Gabriela Serrano1 , Carlos Ramos1 , and Carlos Rivera1 1 Robotics Laboratory Lab, ITAM, Rio Hondo 1, 01000 DF, Mexico alfredo@itam.mx Abstract. In this paper we present the system architecture for our Four

  1. THE INSTITUTE OF ELECTRONICS, INFORMATION AND COMMUNICATION ENGINEERS

    E-Print Network [OSTI]

    Takiguchi, Tetsuya

    '$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

  2. 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...

  3. INSTITUTE OF PHYSICS PUBLISHING INVERSE PROBLEMS Inverse Problems 21 (2005) 435452 doi:10.1088/0266-5611/21/2/002

    E-Print Network [OSTI]

    Meju, Max

    2005-01-01T23:59:59.000Z

    -Ensenada, Ensenada BC 22860, Mexico E-mail: lgallard@cicese.mx Received 29 June 2004, in final form 16 December 2004 imaging that simultaneous analysis of images derived from diverse sources (ultrasound, PET scans, magnetic

  4. ON RATES OF CONVERGENCE FOR STOCHASTIC ...

    E-Print Network [OSTI]

    2008-01-25T23:59:59.000Z

    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.

  5. 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]

    Gao, Hongjun

    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

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

    E-Print Network [OSTI]

    Artecona, Victor Manuel

    1959-01-01T23:59:59.000Z

    ) 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...

  7. Pneumatic vibratory cleaner conveyor for sugarcane

    E-Print Network [OSTI]

    Oliveira, Roberto Costa de

    1983-01-01T23:59:59.000Z

    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...

  8. POLYNOMIAL EMBEDDING ALGORITHMS FOR CONTROLLERS IN A

    E-Print Network [OSTI]

    Trentelman, Harry L.

    and stabilization by behavioral full interconnection and partial interconnection. These synthesis problems were, Mexico DF, Mexico, Phone: 54832020-1457, Email: zavalay@itesm.mx C. Praagman is with the Institute

  9. Hybrid LQ-Optimization Using Dynamic Programming V. Azhmyakov1, R. Galvan-Guerra1, and M. Egerstedt2

    E-Print Network [OSTI]

    Egerstedt, Magnus

    complex systems, in which sub-system interconnections, mode-transitions, and heterogeneous computational.P. 07360, Mexico D.F., Mexico, rgalvan@ctrl.cinvestav.mx (Author for correspondence) 2 M. Egerstedt

  10. Stability analysis of dynamic multilayer neuro identifier Departamento de Control Automatico,

    E-Print Network [OSTI]

    Sontag, Eduardo

    , CINVESTAV-IPN, Av.IPN 2508 Mexico D.F., 07360, Mexico e-mail: yuw@ctrl.cinvestav.mx, fax: +52-definiteness [7] of the interconnection matrix may make Hopfield-Tank neuro circuit GAS. Multilayer perceptrons

  11. Sparse structures for searching and broadcasting algorithms over internet graphs and peer-to-peer computing systems

    E-Print Network [OSTI]

    Stojmenovic, Ivan

    networks with increasing popularity, motivated by the strong need of interconnection of spontaneous, México D.F. 04510, Mexico e-mail: julio@uxdea4.iimas.unam.mx I. Stojmenovic (*) SITE, University

  12. SECCIN DE PROYECTOS DE INGENIERA

    E-Print Network [OSTI]

    educación e investigación a distancia. jsuarez@mail.cinvestav.mx. Publicaciones de los investigadores. · Conectar la educación superior con el mundo del trabajo productivo, para poder así aprovechar al máximo la

  13. PROYECTOS DE INGENIERA PERSONAL ACADMICO Y TEMAS

    E-Print Network [OSTI]

    a distancia. Categoría en el SNI: Nivel III jsuarez@cinvestav.mx PUBLICACIONES DE LOS INVESTIGADORES Informes educativos realizados hasta la fecha. Se estableció una vinculación de trabajo con el Programa de

  14. Solar Active Region Flux Fragmentation, Subphotospheric Flows, and Flaring

    E-Print Network [OSTI]

    Canfield, Richard

    flux is thought to be generated below the convection zone and rise buoy- antly in loops of shape range > 1019 Mx; neither exponential nor power law functions provided a consistent fit

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

    E-Print Network [OSTI]

    Militzer, Burkhard

    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

  16. Los riesgos de la contaminacin atmosfrica en zonas Laboratorio de Especiacin Qumica de Aerosoles Orgnicos Atmosfricos y

    E-Print Network [OSTI]

    Grutter, Michel

    Aerosoles Orgánicos Atmosféricos y Desarrollo de Métodos Analíticos Grupo de Mutagénesis Ambiental, CCA-212. Densidad poblacional urbana y rural definido por http://www.inegi.org.mx/geo/contenidos/ geoestadistica

  17. DEPARTAMENTO DE ECOLOGA HUMANA

    E-Print Network [OSTI]

    natu- rales y al desarrollo rural. emaddox@mda.cinvestav.mx María Teresa Castillo Burguete investigación: Relaciones de género, procesos comunitarios participativos y desarrollo rural. castillo (Edafología, 1969) Balliol College, Universidad de Oxford, Inglaterra. Temas de investigación: Desarrollo de

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

    E-Print Network [OSTI]

    Rimburg, Natalya

    2012-01-01T23:59:59.000Z

    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

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

    E-Print Network [OSTI]

    North Texas, University of

    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

  20. Transp Porous Med (2009) 79:114 DOI 10.1007/s11242-008-9233-9

    E-Print Network [OSTI]

    Santos, Juan

    2009-01-01T23:59:59.000Z

    versus offset (QVO) · QS/QP-ratio T. I. Chichinina (B) · G. Ronquillo-Jarillo Instituto Mexicano del Petroleo, Eje Central Lazaro Cardenas 152, Mexico D.F. 07730, Mexico e-mail: tchichin@imp.mx I. R

  1. Application to Export Electric Energy OE Docket No. EA-386 IPR...

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

    (GSEMNA) to export electric energy to Mexico. EA-386 IPR-GDF SUEZ (GSEMNA) MX.pdf More Documents & Publications EA-386 IPR-GDF Suez Energy Marketing North America, Inc. (GSEMNA)...

  2. 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....

  3. 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...

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

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

    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...

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

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    . 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

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

    E-Print Network [OSTI]

    Martin, Roland

    2005-01-01T23:59:59.000Z

    , 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

  7. Spectra and dynamics of calcium monochloride

    E-Print Network [OSTI]

    Clevenger, Jason O

    2002-01-01T23:59:59.000Z

    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. ...

  8. Living and Fossil Macrocyprididae

    E-Print Network [OSTI]

    Maddocks, R. F.

    1990-02-27T23:59:59.000Z

    . = Macramckenziea; Mx. = Macropyxis; Ma. = Macro- cypria; Mc. = Macrocyprissa; Ms. = Macrosarisa; Mh. = Mac- roscapha; Mn. = Macrocyprina. Individual drawings within the Figures and Plates are designated by decimals (e.g., Fig. 1.3 = part 3 of Fig. 1, Plate 2.... = Macramckenziea; Mx. = Macropyxis; Ma. = Macro- cypria; Mc. = Macrocyprissa; Ms. = Macrosarisa; Mh. = Mac- roscapha; Mn. = Macrocyprina. Individual drawings within the Figures and Plates are designated by decimals (e.g., Fig. 1.3 = part 3 of Fig. 1, Plate 2...

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

    E-Print Network [OSTI]

    Yoder, Matthew Jon

    2009-05-15T23:59:59.000Z

    ........................................................................................................................ 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...

  10. Dining philosophers with masking tolerance to crash faults

    E-Print Network [OSTI]

    Idimadakala, Vijaya K.

    2009-05-15T23:59:59.000Z

    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...

  11. Essays on Price Dynamics, Welfare Analysis, Household Food Insecurity in Mexico

    E-Print Network [OSTI]

    Magana Lemus, David

    2013-09-20T23:59:59.000Z

    of freedom. 24 Table 2.3. Augmented Dickey-Fuller (D-F) t-tests and Ljung-Box Q- statistics*. Price Series D-F t-test (k) Q-statistic (p-value) Natural logarithm of levels Yellow Corn MX -0.77 (0) 35.74 (0.48) White Corn MX -0.44 (0) 53... on Trade and Price Analysis ......... 8 II.3. Price Data ........................................................................................... 15 II.4. Modeling Considerations...

  12. Telecommun Syst DOI 10.1007/s11235-010-9320-4

    E-Print Network [OSTI]

    Campbell, Andrew T.

    of Electrical Engineering, National University of Mexico, Ciudad Universitaria, C.P. 04510, D.F., Mexico City-range transmission control as a means to provide QoS differentiation to applications in wireless ad hoc net- works, Mexico e-mail: javierg@fi-b.unam.mx L.A. Mendez e-mail: alonso@fi-b.unam.mx V. Rangel e-mail: victor

  13. UNIVERSIDAD NACIONAL AUTNOMA DE MXICO ESCUELA NACIONAL DE ENFERMERA Y OBSTETRICIA

    E-Print Network [OSTI]

    Islas, León

    juego de documentos 2do juego de documentos 3er juego de documentos F-305 original F-305 original F-305://www.eneo.unam.mx/suayed/ B) Llenar el formato F-305 e imprimir tres originales, pegar fotografía tamaño infantil a color ó blanco y negro y firmar con tinta negra cada una de ellas. Disponible en: http://www.eneo.unam.mx/suayed/formato_F

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

    E-Print Network [OSTI]

    Allen, Peter K.

    -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

  15. Streak Seeding Automation Using Silicon Tools CUCS-015-06

    E-Print Network [OSTI]

    Georgiev, Atanas

    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

  16. Approaches to Forming a Water-soluble Extracellular Domain From ?3 Subunits of Nicotinic Acetylcholine Receptors 

    E-Print Network [OSTI]

    Frankovich, Victoria Lea

    2013-12-16T23:59:59.000Z

    Obtaining structural information on the extracellular domain (ECD) of ?3 subunits of nicotinic acetylcholine receptors (nAChRs) by x-ray crystallography is desirable for the design of drugs intended to therapeutically target specific n...

  17. URANIUM IN ALKALINE ROCKS

    E-Print Network [OSTI]

    Murphy, M.

    2011-01-01T23:59:59.000Z

    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

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

    E-Print Network [OSTI]

    Fusco, Diana

    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 ...

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

    E-Print Network [OSTI]

    Martin, Langdon James

    2008-01-01T23:59:59.000Z

    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 ...

  20. On the Characteristic Function of the Generalized Normal Distribution

    E-Print Network [OSTI]

    Sidorov, Nikita

    science and photo- graphic technology, information systems, acoustics, software engineering, optics, physics, analytical chemistry, cybernetics, crystallography, energy and fuels, environmental engineering, reliability and risk, and dielectrics and electrical insulation. So, it is important that the properties of (1

  1. Protein Structure Analysis Iosif Vaisman

    E-Print Network [OSTI]

    Vaisman, Iosif

    Crystallography NMR Spectroscopy Protein Informatics Structural Bioinformatics Computational Structural Biology/ Proteins Alberts B, et al. Molecular Biology of the Cell. Proteins TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN Hartl F.U. et al., Nature, 2011 Proteins Protein Science Biochemistry Biophysics Molecular Biology

  2. Protein Structure Analysis Iosif Vaisman

    E-Print Network [OSTI]

    Vaisman, Iosif

    Informatics Structural Bioinformatics Computational Structural Biology Protein Engineering Protein Design Drug/ Proteins Alberts B, et al. Molecular Biology of the Cell. Proteins TTCCPSIVARSNFNVCRLPGTPEAICATYTGCIIIPGATCPGDYAN Protein Science Biochemistry Biophysics Molecular Biology Crystallography NMR Spectroscopy Protein

  3. Protein Structure Analysis Iosif Vaisman

    E-Print Network [OSTI]

    Vaisman, Iosif

    Biology Crystallography NMR Spectroscopy Protein Informatics Structural Bioinformatics Computational Structural Biology Protein Engineering Protein Design Drug Design Molecular Modeling Proteomics Structural Weissig (Eds) Structural bioinformatics Hoboken, N.J. : Wiley-Liss, 2003. Jenny Gu, Philip Bourne (Eds

  4. LCLS-II New Instruments Workshops Report

    SciTech Connect (OSTI)

    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

    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

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

    SciTech Connect (OSTI)

    Miller ,L.; Nasta, K.

    2008-05-01T23:59:59.000Z

    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.

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

    SciTech Connect (OSTI)

    None

    2009-05-01T23:59:59.000Z

    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

  7. X-Ray Absorption Spectroscopy of Metallobiomolecules

    E-Print Network [OSTI]

    Scott, Robert A.

    by the Center for Metalloenzyme Studies (CMS) at the University of Georgia, Athens. Reference Material: Shulman information at the supramolecular to macromolecular level, One-dimensional (1°) molecular level information

  8. X-Ray Absorption Spectroscopy of Metallobiomolecules

    E-Print Network [OSTI]

    Scott, Robert A.

    by the Center for Metalloenzyme Studies (CMS) at the University of Georgia, Athens. Reference Material: Shulman at the supramolecular to macromolecular level, One-dimensional (1°) molecular level information is available through

  9. Vaccine delivery with microneedle skin patches in nonhuman primates

    E-Print Network [OSTI]

    Li, Adrienne V

    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 ...

  10. Biodegradable Thermoplastic Polyurethanes Incorporating Polyhedral Oligosilsesquioxane

    E-Print Network [OSTI]

    Mather, Patrick T.

    Biodegradable Thermoplastic Polyurethanes Incorporating Polyhedral Oligosilsesquioxane Pamela T. Knight,, Kyung Min Lee, Haihu Qin, and Patrick T. Mather*,,§ Department of Macromolecular Science polyurethane (TPU) system that incorporates an organic, biodegradable poly(D,L- lactide) soft block with a hard

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

    E-Print Network [OSTI]

    Alvarado Quiroz, Nicolas Gabriel

    2005-08-29T23:59:59.000Z

    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...

  12. Kilogram Scale Synthesis of a Triazine-based Dendrimer and the Development of a General Strategy for the Installation of Pharmacophores to Yield Potential Drug Delivery Agents

    E-Print Network [OSTI]

    Venditto, Vincent J.

    2011-02-22T23:59:59.000Z

    investigated for macromolecular drug delivery. Upon acylation of each drug with BOC-isonipecotic acid, substitution on the dendrimer may occur with varying levels of success depending on the drug in question. Upon successful substitution to afford the desired...

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

    E-Print Network [OSTI]

    Eltoukhy, Ahmed Atef

    2013-01-01T23:59:59.000Z

    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 ...

  14. A High-Throughput Macromolecule Characterization System

    E-Print Network [OSTI]

    Kim, Jae Hyun

    2013-08-31T23:59:59.000Z

    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...

  15. Project Management Design, Value & Cost

    E-Print Network [OSTI]

    Evans, Paul

    and Environmental Sciences Global Food Security Food Security and Food Systems Analysis Food security and development cooperation Conservation Conservation Priorities Environmental Assessment and Consultancy GIS Science and Technology Biotechnology Techniques in Macromolecular Analysis Special Topics in Biotechnology

  16. 40572 Introduction to Physics of Macromolecules II Lectures Excercises and Seminars (P23 3 1)Lectures, Excercises and Seminars (P23.3.1)

    E-Print Network [OSTI]

    Peters, Achim

    Distributions · Single Macromolecules · Macromolecular Nanostructures · Rubber Elasticity · Biomacromolecules · Structure and Mechanical Properties Synthetic polymers as worm like chains- Synthetic polymers as worm-like chains - Biopolymers with specific interactions 200nm - Bio-synthetic hybrids Single macromolecules

  17. Annu. Rev. Biophys. Biomol. Struct. 2001. 30:21143 Copyright c 2001 by Annual Reviews. All rights reserved

    E-Print Network [OSTI]

    Wang, Wei

    -mail: odonini@kintekpharm.com Key Words molecular dynamics, molecular recognition, electronic structural calculations s Abstract Computer modeling has been developed and widely applied in studying molecules) studying macromolecular dynamics and interactions using molecular dynamics (MD) and free energy (FE

  18. International Mobility and Foreign Students Service International Activities for didactics office

    E-Print Network [OSTI]

    Robbiano, Lorenzo

    ·chemistry and chemical technologies (bA) Inorganic chemistry Functional and Structural Inorganic Materials Processes ceramic Materials ·Materials Science and engineering (MA) corrosion and electrochemistry Inorganic and Sustainable Development organic Synthesis Special organic Synthesis and techniques Macromolecular chemistry

  19. Functional genomics reveals serine synthesis is essential in PHGDH-amplified breast cancer

    E-Print Network [OSTI]

    Possemato, Richard

    Cancer cells adapt their metabolic processes to drive macromolecular biosynthesis for rapid cell growth and proliferation[superscript 1, 2]. RNA interference (RNAi)-based loss-of-function screening has proven powerful for ...

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

    E-Print Network [OSTI]

    Pan, Keyao

    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 ...

  1. Single-Molecule FISH Single-Molecule RNA FISH

    E-Print Network [OSTI]

    Walter, Nils G.

    changes as small as $0.3 nm in individual molecules (or pairs of molecules) within a heterogeneous intermolecular interactions to macromolecular folding and catalysis. Although smFRET has only been technically

  2. Mechanical Engineering Department "The Lindbergh Lectures"

    E-Print Network [OSTI]

    Wisconsin at Madison, University of

    . and Nancy P. Seitz Professor of Advanced Materials and Energy in the Department of Macromolecular Science-Italy, Medellin-Columbia, Campina Grande-Brazil, Zalakaros-Hungary, Salvador-Brazil, Pretoria-South Africa, Quebec

  3. Study of photon dissociation in diffractive photoproduction at HERA.

    SciTech Connect (OSTI)

    Breitweg, J.; Derrick, M.; Krakauer, D.; Magill, S.; Mikunas, D.; Musgrave, B.; Repond, J.; Stanek, R.; Talaga, R. L.; Yoshida, R.; Zhang, H.; ZEUS Collaboration; High Energy Physics

    1997-01-01T23:59:59.000Z

    Diffractive dissociation of quasi-real photons at a photon-proton centre of mass energy of W >> 200 GeV is studied with the ZEUS detector at HERA. The process under consideration is {gamma}{rho}{yields} XN, where X is the diffractively dissociated photon system of mass MX and N is either a proton or a nucleonic system with mass MN < 2 GeV. The cross section for this process in the interval 3 < MX < 24 GeV relative to the total photoproduction cross section was measured to be s{sup partial}D/s{sub tot} = 6.2 {+-}0.2 (stat) {+-}1.4 (syst)%. After extrapolating this result to the mass interval of mf2 < MX2 < 0.05W2 and correcting it for proton dissociation, the fraction of the total cross section attributed to single diffractive photon dissociation, {gamma}{rho}{yields}, is found to be s{sub SD}/s{sub tot} = 13.3 {+-}0.5 (stat){+-}3.6(syst)%. The mass spectrum of the dissociated photon system in the interval 8 < MX < 24 GeV can be described by the triple pomeron (PPP) diagram with an effective pomeron intercept of {alpha}{sub P}(0)=1.12{+-}0.04(stat) {+-}0.08(syst). The cross section for photon dissociation in the range 3 < MX < 8 GeV is significantly higher than that expected from the triple pomeron amplitude describing the region 8 < MX < 24 GeV. Assuming that this discrepancy is due to a pomeron-pomeron-reggeon (PPR) term, its contribution to the diffractive cross section in the interval 3 < MX < 24 GeVis estimated to be f{sub PPR}=26{+-} 3(stat) {+-} 12(syst).

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

    SciTech Connect (OSTI)

    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

    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.

  5. The A-like matrices for a hypercube

    E-Print Network [OSTI]

    Miklavic, Stefko

    2010-01-01T23:59:59.000Z

    Let $D$ denote a positive integer and let $Q_D$ denote the graph of the $D$-dimensional hypercube. Let $X$ denote the vertex set of $Q_D$ and let $A \\in \\MX$ denote the adjacency matrix of $Q_D$. A matrix $B \\in \\MX$ is called $A$-{\\em like} whenever both (i) $BA = AB$; (ii) for all $x,y \\in X$ that are not equal or adjacent, the $(x,y)$-entry of $B$ is zero. Let $\\Al$ denote the subspace of $\\MX$ consisting of the $A$-like elements. We decompose $\\Al$ into the direct sum of its symmetric part and antisymmetric part. We give a basis for each part. The dimensions of the symmetric part and antisymmetric part are $D+1$ and ${D \\choose 2}$, respectively.

  6. On Equal Cost Sharing in the Provision of an Excludable Public Good1

    E-Print Network [OSTI]

    Guo, Zaoyang

    is at the Centro de Investigación Económica, ITAM, Av. Santa Teresa No. 930 Col. Héroes de Padierna, C.P. 10700 Mexico D.F. Email: sharma@itam.mx Levent �lkü is at the Centro de Investigación Económica, ITAM, Av. Santa Teresa No. 930 Col. Héroes de Padierna, C.P. 10700 Mexico D.F. Email: levent.ulku@itam.mx. 1 #12

  7. Constraints on Resonant Dark Matter Annihilation

    E-Print Network [OSTI]

    Backovic, Mihailo

    2011-07-04T23:59:59.000Z

    . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 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...

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

    E-Print Network [OSTI]

    Gruben, David Christopher

    1987-01-01T23:59:59.000Z

    , 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...

  9. Entropy Viscosity Method for Lagrangian Hydrodynamics and Central Schemes for Mean Field Games

    E-Print Network [OSTI]

    Tomov, Vladimir

    2014-04-18T23:59:59.000Z

    , and it is solved forward in time since we know m(x, 0). The final step is to allow the total cost function of each player to depend on the distribution m(x, t) of all other players. This is done by changing (1.3) to A(x(T )) + ? T 0 B(v(t)) dt+ ? T 0 f(m(x(t), t... Operations . . . . . . . . . 7 1.2.2 Characteristic Curves and Loss of Regularity . . . . . . . . . . 8 1.2.3 Weak Solutions . . . . . . . . . . . . . . . . . . . . . . . . . . 10 1.2.4 Viscosity Limit and Entropy Inequality . . . . . . . . . . . . . 11 1.3...

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

    E-Print Network [OSTI]

    Sun, Pu-Ning

    1960-01-01T23:59:59.000Z

    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...

  11. Evaluation of the heterotic potential of sorghum [Sorghum bicolor (L.) Moench] adapted to the southern Africa region

    E-Print Network [OSTI]

    Mpofu, Leo Thokoza

    2007-04-25T23:59:59.000Z

    Table 3. Expected mean squares and appropriate F-tests for the combined analysis of variance across the four locations for all traits. Source F Test Expected Mean Square (EMS) Env MSeE 22 Ee GRPHFM?? + Rep(Env) MSeER )( 2... Hybrids Gen*Env eGxE MS 22 GxEe RPHMF?? + Parents*Env ePxE MS 22 PxEe GRHFM?? + Males*Env eMxE MS 22 MxEe GRPHF?? + Females*Env eFxE MS 22 FxEe GRPHM?? + Hybrids*Env eHxE MS 22 HxEe GRPFM...

  12. Molecular Dynamics Simulation of Macromolecules Using Graphics Processing Unit

    E-Print Network [OSTI]

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

    2010-01-21T23:59:59.000Z

    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.

  13. Affinit omologiche generali e speciali. di Maurizio Santangelo (approfondimento tratto dal testo: Maraschini-

    E-Print Network [OSTI]

    Spagnolo, Filippo

    , denominata asse dell'a.o.g., (di equazione : y=mx+h) 2) una direzione privilegiata di coefficiente angolare k appartengo- no all'asse, giacciono su una medesima retta del fascio di rette parallele di coefficiente angolare k. 3) Un rapporto r=P'Q/PQ con P e P' una coppia di punti, distinti dall'asse, che si

  14. Acoustic inverse scattering via Helmholtz operator factorization and ...

    E-Print Network [OSTI]

    Shen Wang

    2010-09-01T23:59:59.000Z

    Aug 2, 2010 ... p. Z. X. ^ws?x; x; xs?^u??x; x; xs?dxdxs;. ?4? and obtained by solving ..... where M(x) = A(x)HA(x) and b = A(x)Hs. Matrix A(x) is sparse, and it is not ...... [55] S. Chandrasekaran, P. Dewilde, M. Gu, W. Lyons, T. Pals, A fast ...

  15. (12) INTERNATIONAL APPLICATION PUBLISHED UNDER THE PATENT COOPERATION TREATY (PCT) (19) W(4orld Intellectual Property Organization III IIIIIIInIIIIIIII p aIIIIII IIIIIIIIIIIIIII III IIIII

    E-Print Network [OSTI]

    Robins, Gabriel

    /US]; 260 Wahoo Way, Apt # 1024, Charlottesville, Virginia 22903 (US). ROBINS, Gabriel [US/US]; 986 Laurel Glen, Char- lottesville, Virginia 22903 (US). (74) Agents: MADDEN, Robert B et al.; Schwegman, Lund, LT, LU, LY, MA, MD, ME, MG, MK, MN, MW, MX, MY, MZ, NA, NG, NI, NO, NZ, OM, PE, PG, PH, PL, PT, QA

  16. Popular today Reader blogs Contact Find a job Science shop Register/Login Home content

    E-Print Network [OSTI]

    Espinosa, Horacio D.

    tool for next-generation cancer treatments using nanodiamonds ShareThis A research team at Northwestern as a research tool in the development of next-generation cancer treatments and as a nanomanufacturing tool.doctorofhope.com.mx Breast Cancer Treatment Chat online with an oncology expert about today's treatment options. Cancer

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

    E-Print Network [OSTI]

    Rothman, Jessica M.

    .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

  18. 503L.K. Marsh and C.A. Chapman (eds.), Primates in Fragments: Complexity and Resilience, Developments in Primatology: Progress and Prospects,

    E-Print Network [OSTI]

    Arroyo Rodríguez, Víctor

    @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

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

    E-Print Network [OSTI]

    Kammen, Daniel M.

    *** 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

  20. Devineau et al 1 Applied Clay Science, 2006, 31, 76-84 In situ neutron diffraction analysis of the influence of geometric confinement on

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Devineau et al 1 Applied Clay Science, 2006, 31, 76-84 In situ neutron diffraction analysis 2 Applied Clay Science, 2006, 31, 76-84 Abstract The swelling properties of a bentonite MX-80 in constrained pellets deviates from that observed for free pellets. Reorientation phenomena of clay layers were

  1. The structure/function relationship of a dual-substrate (ba)8-isomerase Helena Wright a

    E-Print Network [OSTI]

    Fülöp, Vilmos

    Noda-Garci´a b , Adria´n Ochoa-Leyva b , David A. Hodgson a , Vilmos Fu¨lo¨p a , Francisco Barona-Go´mez: barona@ibt.unam.mx (F. Barona-Go´mez). www.elsevier.com/locate/ybbrc Available online at www

  2. 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]

    McLaren, Bruce Martin

    2012-01-01T23:59:59.000Z

    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

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    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

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    Sandini, Giulio

    , 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

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    E-Print Network [OSTI]

    Bálint, Péter

    , the Budapest University of Technology and Economics, Egry5 J´ozsef u. 1, H-1111, Budapest, Hungary6 E-mail: pet´onoma de M´exico,8 Ciudad Universitaria, 04510 M´exico D.F., Mexico9 E-mail: dps@fciencias.unam.mx10

  6. Adaptive Control Schemes Based on Recurrent Trainable Neural Networks

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    Borissova, Daniela

    -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

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    Mueser, Martin

    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

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    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

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    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    , Rodrigo Sigala Departmento Académico de Computación Instituto Tecnológico Autónomo de México (ITAM) Río Hondo #1, San Angel Tizapán, CP 01000, México DF, MEXICO email: alfredo@itam.mx 1 We thank the NSF

  10. VII SBAI/ II IEEE LARS. So Lus, setembro de 2005 DESIGN AND IMPLEMENTATION OF A SMALL SIZE ROBOCUP SOCCER

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    Weitzenfeld, Alfredo

    Sotelo* deigal@hotmail.com Misael Soto* dasot533@hotmail.com Alfredo Weitzenfeld* alfredo@itam.mx *Instituto Tecnológico Autónomo de México (ITAM) ­ Computer Engineering Department Río Hondo #1, San Angel

  11. Building Computational Agents using Neuronal Networks, Schema Theory and Artificial Intelligence1

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    Weitzenfeld, Alfredo

    Department Mexico Autonomous Institute of Technology (ITAM) Río Hondo 1, San Ángel, CP-01000, México D.F., MEXICO {cairo, cervante, jincera, alfredo}@itam.mx Abstract. At the Mexico Autonomous Institute of Technology (ITAM) there is a group of research interested in developing both theoretical and computational

  12. Journal of Theoretical Probability ISSN 0894-9840

    E-Print Network [OSTI]

    Department of Statistics, ITAM, Rio Hondo No. 1, Col. Progreso Tizapán, C.P. 01080 Mexico, DF, Mexico e-mail: jose.perez@itam.mx 123 Author's personal copy #12;J Theor Probab (2014) 27:1292­1315 1293 where + c

  13. MIRO: An Embedded Distributed Architecture for Biologically inspired Mobile Robots

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    Weitzenfeld Comp Eng Dept, ITAM Río Hondo #1, San Angel Tizapan México DF, M�XICO, 01000 +52-55-56284060 alfredo@itam.mx Sebastian Gutierrez -Nolasco Inf and Comp Science Dept, University of California, Irvine

  14. VII SBAI/ II IEEE LARS. So Lus, setembro de 2005 EAGLE KNIGHTS: FOUR LEGGED ROBOCUP SOCCER TEAM

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    Weitzenfeld, Alfredo

    * Bernardo Muciño* alx.chavez@gmail.com amethyst@herzeleid.net Alfredo Weitzenfeld* alfredo@itam.mx *Instituto Tecnológico Autónomo de México (ITAM) ­ Computer Engineering Department Río Hondo #1, San Angel

  15. Abstract--In this paper we present a model designed on the basis of the rat's brain neurophysiology to provide a robot with

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    CONACYT (ITAM ­ UCSC), LAFMI CONACYT (ITAM ­ ISC), NSF CONACYT (ITAM ­ UCI) under grant #42440 Hondo #1, Tizapán San Ángel, CP 01000, México DF, México (e-mail: abarrera@itam.mx, alfredo@itam

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    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    M�XICO rodrigo@cannes.itam.mx Alfredo Weitzenfeld Department of Computer Engineering Instituto Tecnológico Autónomo de México Río Hondo # 1, Tizapán San Ángel México, D. F., 01000 M�XICO alfredo@itam

  17. Eagle Knights 2006: Small-Size League Luis A. Martnez-Gmez1, Ernesto Torres1, Misael Soto1, Octavio Ponce1, Yuichi

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    Velázquez1, Monserrat Muñoz1, and Alfredo Weitzenfeld1 1 Robotics Laboratory Lab, ITAM, Rio Hondo 1, 01000 DF, Mexico alfredo@itam.mx Abstract. In this paper we present the design and implementation of our

  18. From Brain Theory To Autonomous Robotic Agents Alfredo Weitzenfeld1

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    Computación Instituto Tecnológico Autónomo de México (ITAM) Río Hondo #1, San Angel Tizapán, CP 01000 México DF, MEXICO alfredo@itam.mx Abstract. The study of biological systems has inspired the development

  19. A Multi-level Approach to Biologically Inspired Robotic Systems1 Alfredo Weitzenfeld

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    Académico de Computación Instituto Tecnológico Autónomo de México (ITAM) Río Hondo #1, San Angel Tizapán, CP 01000 México DF, MEXICO email: alfredo@lamport.rhon.itam.mx tel: (525) 6284060 fax: (525) 6162211

  20. NSL/ASL: Distributed Simulation of Modular Neural Alfredo Weitzenfeld, Oscar Peguero, Sebastin Gutirrez

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    , Sebastián Gutiérrez Departmento Académico de Computación Instituto Tecnológico Autónomo de México (ITAM) Río Hondo #1, San Angel Tizapán, CP 01000 México DF, MEXICO email: alfredo@lamport.rhon.itam.mx Abstract

  1. Bayesian inference for the ratio of the means of two normal populations with unequal variances

    E-Print Network [OSTI]

    Mendoza Ramírez, Manuel

    . Mendoza Departamento de Estad#19;#16;stica ITAM, R#19;#16;o Hondo 1 01000 M#19;exico D.F., Mexico e-mail: mendoza@gauss.rhon.itam.mx E. Guti#19;errez-Pe~na Departamento de Probabilidad y Estad#19;#16;stica IIMAS

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    E-Print Network [OSTI]

    Nieto Barajas, Luis E.

    México, D. F. TELÉFONO: +52 (55) 56284000 ext. 3833 CORREO ELECTRÓNICO: lnieto@itam.mx LUGAR DE: 22 de septiembre de 1995. INSTITUCIÓN: Instituto Tecnológico Autónomo de México (ITAM). PAÍS. INSTITUCIÓN: ITAM (Instituto Tecnológico Autónomo de México). PERÍODO: Enero de 1997 agosto de 1998 y de

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    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    SOCCER Adrian Martinez-Gomez* Alfredo Weitzenfeld* gomado@gmail.com alfredo@itam.mx *Instituto Tecnológico Autónomo de México (ITAM) ­ Computer Engineering Department Río Hondo #1, San Angel Tizapán, CP

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    Suzuki, Masatsugu

    THESIS OR DISSERTATION TITLE IS CENTERED AND IN ALL CAPS. THE FIRST LINE OF THE TITLE SHOULD AND CENTERED BX, College or University, YYYY MX, College or University, YYYY SPECIFY DISSERTATION OR THESIS to be published in Dissertation Abstracts International (DAI) is 350 words. The maximum acceptable length

  5. Electrochemistry, Electrocatalysis & Photoelectrocatalysis Photoelectrocatalysis

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    Dutta, Indranath

    ." ELECTROCHEMISTRY COMMUNICATIONS. 16 (1), 26-29. 4. Song, P; Zhang, XY; Sun, MX; Cui, XL; Lin, YH. 2012. "Graphene Volume: 4 Issue: 5 Pages: 1800-1804 5. Zhang, Xiao-Yan; Li, Hao-Peng; Cui, XL; Lin, Y. 2010. "Graphene Electrode: Preparation, Characterization, and Application to Photoelectrocatalytic Methanol Oxidation

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

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    Oliver, Douglas L.

    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

  7. CA Statewide Codes and Standards Program Title 24 Local Energy Efficiency Ordinances

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    Market, San Francisco, Room 687, CA 94105 (415) 973-9944 Email: MxWL@pge.com #12;LEGAL NOTICE This report Zone 3 Energy Cost-Effectiveness Study Prepared for: Pat Eilert Codes and Standards Program Pacific Gas and Electric Company Maril Pitcock Government Partnership Program Pacific Gas and Electric Company Prepared by

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

    E-Print Network [OSTI]

    Mercado-Silva, Norman

    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

  9. Helminth Parasites of Freshwater Fishes of the Ayuquila River, Sierra de Manantlan Biosphere Reserve, West Central Mexico

    E-Print Network [OSTI]

    Mercado-Silva, Norman

    Reserve, West Central Mexico GUILLERMO SALGADO-MALDONADO,1,5 NORMAN MERCADO-SILVA,2 GUILLERMINA CABAN~ AS Instituto de 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 Center for Limnology, University

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

    E-Print Network [OSTI]

    Carvalho, João Luiz

    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

  11. This article was originally published in a journal published by Elsevier, and the attached copy is provided by Elsevier for the

    E-Print Network [OSTI]

    Zhang, YuMing

    of temperature profile in DE-GMAW, the weld dimension at cross section and temperature distribution are obtained of double-electrode gas metal arc welding process C.S. Wu a,*, M.X. Zhang a , K.H. Li b , Y.M. Zhang b metal arc welding), a finite element analysis (FEA) model is developed to numerically analyze this novel

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

    E-Print Network [OSTI]

    Maryland at College Park, University of

    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

  13. 8080TST.ASM

    E-Print Network [OSTI]

    ... 39 DAD D ; 19 DAD H ; 29 DAD B ; 9 DCR A ; 3d DCR B ; 5 DCR C ; d DCR D ... 26 x1 MVI L,x ; 2e x1 MVI M,x ; 36 x1 NOP ; 0 ORA L ; b5 ORA M ; b6 ORA A ...

  14. A Family of Topology-preserving Mappings for Data Visualisation

    E-Print Network [OSTI]

    Gorban, Alexander N.

    -Harmonic Means beats K-Means and MoG using EM · Perf = = = - N i K k ki mx K 1 1 2 1 = = - -= N i K l il ik j jn kn kn mxwxd d d r -=-= - - = = #12;#12;Comparison with GTM )|||| 2 exp() 2 ( 1 )|()()( 22

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

    E-Print Network [OSTI]

    Denny, Geoffrey Carlile

    2009-05-15T23:59:59.000Z

    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...

  16. Reasoning about Dynamic Systems and Bifurcations Juan J. Flores

    E-Print Network [OSTI]

    Bailey-Kellogg, Chris

    A bifurcation occurs in a dynamic system when the structure of the system itself and therefore also its qual of an electrical power system changes during the day, etc. Changes in the parameters, even if they are infinitesReasoning about Dynamic Systems and Bifurcations Juan J. Flores juanf@zeus.umich.mx Division de

  17. Route duration modeling for mobile ad-hoc networks Michael Pascoe-Chalke Javier Gomez

    E-Print Network [OSTI]

    Gomez-Castellanos, Javier

    of Electrical Engineering, Metropolitan Autonomous University, Mexico City, Mexico e-mail: milo@xanum.uam.mx 123-hoc Net- works (VANETs), Wireless Sensor Networks (WSNs) and Mobile Ad-hoc Networks (MANETs). In MANETs. Pascoe-Chalke (&) Á J. Gomez Á V. Rangel Department of Electrical Engineering, National Autonomous

  18. Handoff Management and Admission Control Using Virtual Partitioning with Preemption in 3G

    E-Print Network [OSTI]

    Wong, Vincent

    these networks is usually called the fourth generation (4G) heterogeneous wireless net- works [1]. The IEEE 802) of Canada, and the Programa de Mejoramiento del Profesorado (PROMEP) from Mexico. The review of this paper Luis Potosi (UASLP), San Luis Potosi, Mexico, e-mail: es- tevens@galia.fc.uaslp.mx. V. Shah

  19. Simultaneous Interconnection and Damping Assignment PassivityBased Control: Two

    E-Print Network [OSTI]

    Batlle, Carles

    Simultaneous Interconnection and Damping Assignment Passivity­Based Control: Two Practical Examples.doria@upc.edu 2 DEPFI­UNAM, Apartado Postal 70-256, 04510 M´exico D.F., MEXICO, gerardoe@servidor.unam.mx 3 Jd : Rn × R Rn×n , Hd : Rn R, satisfying the skew­symmetry condition for the interconnection matrix

  20. SIMULTANEOUS INTERCONNECTION AND DAMPING ASSIGNMENT PASSIVITYBASED

    E-Print Network [OSTI]

    Batlle, Carles

    SIMULTANEOUS INTERCONNECTION AND DAMPING ASSIGNMENT PASSIVITY­BASED CONTROL: TWO PRACTICAL EXAMPLES­UNAM, Apartado Postal 70-256, 04510 M´exico D.F., MEXICO, gerardoe@servidor.unam.mx Laboratoire des Signaux et.Ortega@lss.supelec.fr Abstract: We argue in this paper that the standard two­stage procedure used in Interconnection and Damping

  1. ASL/NSL: A Multi-level Approach to Neural-based Architectures1 Alfredo Weitzenfeld

    E-Print Network [OSTI]

    Weitzenfeld, Alfredo

    01000 México DF, MEXICO email: alfredo@lamport.rhon.itam.mx tel: (525) 6284060 fax: (525) 6162211 in Mexico), the CONACyT REDII grant in Mexico, as well as the "Asociación Mexicana de Cultura, A.C.". #12. At the same abstraction level, modules are interconnected (solid arrows), while at different levels, modules

  2. nanostructures: Theoretical

    E-Print Network [OSTI]

    Zimmermann, Roland

    for the interpretation of optical measurements. The focus is on spatially resolved spectroscopy, such as micro photoluminescence (¯­PL) and near­field scanning optical microscopy (NSOM). A related technique which al­ lows be derived [5] : ` \\Gamma ¯ h 2 \\DeltaR 2MX +v(R) ' /ff (R) = Eff /ff (R) : (2.1) Here a factorization

  3. prsente par Blandine Romain

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    for the interpretation of optical measurements. The focus is on spatially resolved spectroscopy, such as micro photoluminescence (¯­PL) and near­field scanning optical microscopy (NSOM). A related technique which al­ lows be derived [5] : ` \\Gamma ¯ h 2 \\DeltaR 2MX +v(R) ' /ff (R) = Eff /ff (R) : (2.1) Here a factorization

  4. Another Majorana Idea: Real and Imaginary in the Weinberg Theory \\Lambda

    E-Print Network [OSTI]

    D 6.5in 1 #12; Another Majorana Idea: Real and Imaginary in the Weinberg Theory \\Lambda Valeri V, ZAC., M'exico Internet address: VALERI@CANTERA.REDUAZ.MX (September 8, 1996) The Majorana concept \\Gamma (ff; grad) + fi 0 ¯ # U = 3D0 ; (1) where the Dirac matrices are chosen to be: ff x = 3Dae 1 oe x

  5. Using efficiently autoregressive estimation in Wireless Sensor Networks

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Using efficiently autoregressive estimation in Wireless Sensor Networks Karen Miranda1 , Víctor M City {Name.Surname}@inria.fr, vicman@xanum.uam.mx Abstract--Wireless sensor networks (WSNs) are widely networks; autoregressive pro- cesses; data aggregation. I. INTRODUCTION Applications for wireless sensor

  6. Mechanistic Insights on the Hydrodesulfurization of Biphenyl-2-thiol with Nickel Compounds

    E-Print Network [OSTI]

    Jones, William D.

    Mechanistic Insights on the Hydrodesulfurization of Biphenyl-2-thiol with Nickel Compounds Jorge@servidor.unam.mx Abstract: The reactivity of the nickel(I) dimer [(dippe)Ni(µ-H)]2 (1) with biphenyl-2-thiol was explored evolves to the terminal nickel-hydride [(dippe)Ni (1 -C-2-biphenyl)(H)] (4) and transient [(dippe)NiS] (5

  7. For more information, please visit: http://seari.mit.edu

    E-Print Network [OSTI]

    de Weck, Olivier L.

    of spacecraft lifecycle - Changes made to systems after fielding, i.e. software upgrades - Active change utility Acceptable Transition path Mx Uncertain future mission Total Lifecycle Cost ($M2002) Static.e. including servicing panels - Pull from process development community - Changes also extended to subsequent

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

    E-Print Network [OSTI]

    Boyer, Edmond

    1997-01-01T23:59:59.000Z

    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. INTRODUCTION The most widely studied 11-VI-basedDiluted Magnetic Semiconductors @MS) have been those containing

  9. UNIDAD QUERTARO La Unidad Quertaro del Cinvestav ofrece el Programa de Posgrado de Maes-

    E-Print Network [OSTI]

    producción de masa y tortilla de maíz. Efecto del procesamiento en la calidad nutricional de la tortilla de tortilla. Extrusión y producción de enzimas. Calidad de las razas de maíces y sus usos potenciales. Uso del cocimiento ohmico para la caracterización de calidad de maíces. jfigueroa@qro.cinvestav.mx Alberto Herrera

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

    E-Print Network [OSTI]

    Bor, Gil

    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

  11. Studies Plan Chimie molculaire et biologique 2013-14

    E-Print Network [OSTI]

    2h Sum Oral 2 Organic electronic materials - Synthesis, applications, properties E MSE-486 MX methods in molecular quantum mechanics E CH-452 CGC Tavernelli 2h 1h Win Oral 4 Inorganic chemistry p Catalysis for energy production E CH-421 CGC Hu 2h Win Written 2 Catalyst design for synthesis E

  12. Plan d'tudes Chimie molculaire et biologique 2013-14

    E-Print Network [OSTI]

    Hu 2h Hiv Ecrit 2 Catalyst design for synthesis E CH-422 CGC Dyson Laurenczy 2h Hiv Ecrit 3 Inorganic 2h Eté Oral 2 Organic electronic materials - Synthesis, applications, properties E MSE-486 MX Tavernelli 2h 1h Hiv Oral 4 Inorganic chemistry Cours Master 1 Master 2 Session Examen Examen Crédits lang

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    E-Print Network [OSTI]

    a la problemática ecológica-ambiental, al manejo de recursos natu- rales y al desarrollo rural. emaddox y desarrollo rural. castillo@mda.cinvestav.mx #12;632/6 CINVESTAV Heriberto Cuanalo de la Cerda. Temas de investigación: Desarrollo de las unidades de producción campesina. cuanalo

  14. DEPARTAMENTO DE ECOLOGA HUMANA

    E-Print Network [OSTI]

    a la problemática ecológica-ambiental, al manejo de recursos natu- rales y al desarrollo rural. emaddox-Xochimilco. Temas de investigación: Relaciones de género, procesos comunitarios participativos y desarrollo rural@mda.cinvestav.mx María Teresa Castillo Burguete. Investigadora Adjunta. Maestra en Desa- rrollo Rural (1989) UAM

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    : Relaciones de género, procesos comunitarios participativos y desarrollo rural. Categoría en el SNI: Nivel I desarrollo humanos. Categoría en el SNI: Nivel II dickinso@mda.cinvestav.mx Eduardo Batllori Sampedro relación con procesos socioambientales. Desarrollo de un sistema de información geográfica en salud. lola

  16. General{relativistic free decay of magnetic elds in a spherically symmetric body.

    E-Print Network [OSTI]

    , Morelia Mich CP 58040 AP 2-82 MEXICO e{mail zannias@ginette.ifm.umich.mx (July 10, 2001) Abstract,4] or thermoelectric instabilities 5,6,7]. In these cases not only the modes with large spatial scales and small decay

  17. Alternative formulations of the theory of evidence

    E-Print Network [OSTI]

    Cuzzolin, Fabio

    (x)=1/3 A={x,y} x y z · b(x,y)={x,y} m() = m(x)=1/3 (sure support) · pl(x,y)={x,y} m() = m(x)+m(x,y,z)=1/3+2/3=1

  18. A Direct Reputation Model for VO Formation Arturo Avila-Rosas1

    E-Print Network [OSTI]

    Luck, Michael

    Mexicano del Petr´oleo, Eje Central 152, M´exico DF, CP 07730, M´exico aavilar@imp.mx 2 SchoolA Direct Reputation Model for VO Formation Arturo Avila-Rosas1 and Michael Luck2 1 Instituto

  19. UNIDAD SALTILLO La Unidad Saltillo se cre con el fin de fortalecer la capacidad tecnolgica del pas

    E-Print Network [OSTI]

    investigación: Fenómenos de flujo de fluídos y transferencia de calor en el procesamiento de metales. facosta British Columbia, Vancouver, Canadá. Temas de investigación: Fenómenos de flujo de fluidos y transferencia de calor en el procesamiento de metales. hcastill@saltillo.cinvestav.mx Manuel de Jesús Castro Román

  20. DEPARTAMENTO DE Personal acadmico y temas de investigacin

    E-Print Network [OSTI]

    investigación: Levaduras: dinámica de esfingolípidos durante la proliferación celular. Entamoeba histolytica [Ca2+ ]i en células del músculo liso. Muerte celular (apoptosis) induci- da por Ca2+ . aguerrer@mail.cinvestav.mx Ricardo Mondragón Flores. Investigador Titular. Doctor en Ciencias (Biología Celular, 1995) Cinvestav

  1. D E P A R T A M E N T O D E B I O L O G A C E L U L A R

    E-Print Network [OSTI]

    celular de Enta- moeba histolytica. calderon@cell.cinvestav.mx Federico Castro Muñoz-Ledo. Investigador Cinvestav 3C. Doctor en Ciencias (Biología Celular, 1991) Cinvestav, México. Temas de investigación. Temas de investigación: Motilidad celular: translocación intracelular de organelos citoplás- micos

  2. DEPARTAMENTO DE BIOLOGA CELULAR

    E-Print Network [OSTI]

    37/1 DEPARTAMENTO DE BIOLOGÍA CELULAR Personal académico y temas de investigación Guadalupe Mireya por Entamoeba histolytica. Bio- logía celular de Entamoeba histolytica. calderon@cell.cinvestav.mx Federico Castro-Muñoz Ledo. Investigador Titular. Doctor en Ciencias (Bio- logía Celular, 1991) Cinvestav

  3. DEPARTAMENTO DE FISIOLOGA, BIOFSICA Y

    E-Print Network [OSTI]

    ) Universi- dad de Buenos Aires, Argentina. Temas de investigación: Fisiología celular y molecular de a través de la membrana. Diferenciación celular. mcereiji@fisio.cinvestav.mx Rubén Gerardo Contreras Patiño células epitheliales. Expresión de la Na+ ,K+ -ATPasa y los contactos celulares epiteliales y mecanismos

  4. DEPARTAMENTO DE BIOMEDICINA MOLECULAR

    E-Print Network [OSTI]

    . Estudio celular y mo- lecular de malaria maternal. rohernan@mail.cinvestav.mx ÍndiceÍndiceÍndice #12 (1994) Cinvestav. Temas de investigación: Estudio molecular y celular de las proteínas involucradas en el patogénesis de la amibiasis y caracterización molecular de la motilidad celular en Entamoeba

  5. Grado Nombre Dependencia email Lnea de investigacin

    E-Print Network [OSTI]

    Arroyo Rodríguez, Víctor

    Moleculas De Leishmania En Células De Respuestas Inmune. Respuesta Inmune Humoral Y Celular Inducida Por Antígenos De Cryptosporidius Parvum Y Rscherichia Coli. Estudio Celular Y Molecular De Blastocystis Sp Jesús Instituto de Fisiología Celular Doctorado jaguirre@ifc.unam.mx Diferenciación Celular Y Regulación

  6. DEPARTAMENTO DE BIOLOGA CELULAR

    E-Print Network [OSTI]

    37/1 DEPARTAMENTO DE BIOLOGÍA CELULAR Personal académico y temas de investigación Guadalupe Mireya: Biología celular de Entamoeba histolytica. calderon@cell.cinvestav.mx Federico Castro-Muñoz Ledo. Investigador Titular. Doctor en Ciencias (Bio- logía Celular, 1991) Cinvestav. Temas de investigación

  7. Stochastic dynamic systems fl T. Soderstrom, 1997

    E-Print Network [OSTI]

    Flener, Pierre

    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

  8. 0195-928X/03/0300-0463/0 2003 Plenum Publishing Corporation International Journal of Thermophysics, Vol. 24, No. 2, March 2003 ( 2003)

    E-Print Network [OSTI]

    Mandelis, Andreas

    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

  9. E. Wong, BE278, UCSD Winter 2012! Bioengineering 278"

    E-Print Network [OSTI]

    California at San Diego, University of

    " Lecture 1! Topics:! ·Nuclear magnetization! ·Spin excitation! ·The NMR signal! E. Wong, BE278, UCSD WinterE. Wong, BE278, UCSD Winter 2012! Bioengineering 278" Magnetic Resonance Imaging" " Winter 2011. Wong, BE278, UCSD Winter 2012! Equation of Motion for Magnetization Vector M! dM dt = M × B - Mx ^i

  10. Hardware/Software Codesign for Embbeded Implementation of Neural Networks

    E-Print Network [OSTI]

    Girau, Bernard

    , Mexico ctorres@inaoep.mx 2 CORTEX team, LORIA-INRIA Lorraine Campus Scientifique, B. P. 239, Vandoeuvre circuits such as Field Programmable Gate Arrays (FPGA) increases at a very fast rate. Their fine-Specific Programmable Cir- cuits) approach that requires a strong hardware expertise. In this paper a high-level design

  11. Orthogonal Exponential Spline Pulses with Application to Impulse Radio

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    Federal Communications Commission and will potentially enable an impulse radio communica- tions system@mx.ibaraki.ac.jp Abstract: With application to the impulse radio communications in mind, a locally supported and zero properties are required (i) for the sake of real-time communications, (ii) for the pulse to be feasible

  12. LA INDUSTRIALIZACIN EN PUEBLA, MXICO, 1835-1976 Mara Teresa VENTURA RODRGUEZ

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    LA INDUSTRIALIZACI�N EN PUEBLA, M�XICO, 1835-1976 María Teresa VENTURA RODRÍGUEZ Benemérita Universidad Autónoma de Puebla mtere_ventura@yahoo.com.mx RESUMEN: Puebla experimentó una industrialización

  13. Extensive Molecular Dynamics Simulations Showing That Canonical G8 and Protonated Forms Are Most Consistent with Crystal Structures of Hairpin Ribozyme

    E-Print Network [OSTI]

    Walter, Nils G.

    Extensive Molecular Dynamics Simulations Showing That Canonical G8 and Protonated A38H+ Forms. Biochemical and structural data have implicated guanine 8 (G8) and adenine 38 (A38) as catalytic participants of the protonation states of G8 and A38, and the inactivating A-1(2-methoxy) substitution employed in crystallography

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

    E-Print Network [OSTI]

    Chan, Hue Sun

    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

  15. Synthesis and structure of perfluorocongressane

    SciTech Connect (OSTI)

    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

    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.

  16. Mechanisms of coactivation of estrogen receptor alpha (ER alpha)- and ER alpha/Sp-mediated gene transactivation by vitamin D receptor interacting protein 205 (DRIP205) in breast cancer cells

    E-Print Network [OSTI]

    Wu, Qian

    2009-05-15T23:59:59.000Z

    , is the central component of the eukaryotic transcription machinery. X-ray crystallography showed a highly symmetric alpha/beta structure containing a DNA-binding fold. This fold resembles a molecular saddle (161,162) that is bound to the widened minor groove...

  17. electronic reprint Synchrotron

    E-Print Network [OSTI]

    Agard, David

    and T. Ohta Suite of three protein crystallography beamlines with single superconducting bend magnet with single superconducting bend magnet as the source Alastair A. MacDowell,a * Rich S. Celestre,a Malcolm Engineering Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 94720, USA, c

  18. Hydrogen bond dynamics in the active site of photoactive yellow protein

    E-Print Network [OSTI]

    Herschlag, Dan

    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

  19. 456th Brookhaven Lecture

    ScienceCinema (OSTI)

    Allen Orville

    2010-09-01T23:59:59.000Z

    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.

  20. Birkbeck magazine Issue 25, Spring 2009 Is Russia hushing

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    Crawford, Ian

    Double pioneering research success 5 Crystallography makes significant advances The climate of change 6 of the articles in this issue are about change: how our relationship with Russia has changed since Putin came economy (page 13); and interest in climate change bodes well for a new environmental management course

  1. crystallization communications 246 doi:10.1107/S1744309105002253 Acta Cryst. (2005). F61, 246248

    E-Print Network [OSTI]

    Petratos, Kyriacos

    2005-01-01T23:59:59.000Z

    -3091 Crystallization and preliminary X-ray diffraction studies of an alcohol dehydrogenase from the Antarctic. Horse liver ADH was the ®rst to be studied by X-ray crystallography (Eklund et al., 1976); more recently suitable for X-ray diffraction were obtained under optimized salting-out crystallization conditions using

  2. JOURNAL DE PHYSIQUE IV Colloque C8, supplBment au Journal de Physique 111,Volume 5, dkcembre 1995

    E-Print Network [OSTI]

    Boyer, Edmond

    with progress of cold working. The crystallography and morphology of stress induced phases were studied with TEM with X-ray diffraction (XRD) and transmission electron microscopy(TEM). An Fe-SO.Sat%Rh alloy was rolled phase appeared in the early stage of cold work. With heavy work appearance of the fcc phase

  3. 718 | VOL.2 NO.9 | SEPTEMBER 2005 | NATURE METHODS CLASSIC PROTOCOL

    E-Print Network [OSTI]

    Cai, Long

    , an expert in X-ray crystallography and a colleague of Francis Crick. Having become acquainted with Crick at Cold Spring Harbor, and half of it was this kind of work with micrococcal nuclease­ digested chr at the MRC Laboratory of Molecular Biology in Cambridge in 1973, with the goal of working with Aaron Klug

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

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    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

  5. Decomposition of Triacetone Triperoxide Is an Entropic Faina Dubnikova, Ronnie Kosloff, Joseph Almog, Yehuda Zeiri,*,,

    E-Print Network [OSTI]

    Keinan, Ehud

    @tx.technion.ac.il Abstract: Both X-ray crystallography and electronic structure calculations using the cc-pVDZ basis set,# Contribution from the Chemistry Department, Fritz Haber Institute for Molecular Dynamics, and Casali Institute of calculations that identified transition states, intermediates, and the final products. Counterintuitively

  6. NEBRASKA CENTER FOR MATERIALS AND NANOSCIENCE 2012 SEMINAR SERIES PRESENTS

    E-Print Network [OSTI]

    Farritor, Shane

    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

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

    E-Print Network [OSTI]

    Paris-Sud XI, Université de

    , 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

  8. electronic reprint Acta Crystallographica Section A

    E-Print Network [OSTI]

    Hart, Gus

    Union of Crystallography Author(s) of this paper may load this reprint on their own web site provided-mail: stokesh@byu.edu Phase transitions that result in incommensurate structural modulations are widely observed distortion which lowers the symmetry of a parent phase. In this paper, we use the word `distortion

  9. Discrete restraint-based protein modeling and the C -trace problem

    E-Print Network [OSTI]

    de Bakker, Paul

    , Cambridge CB2 1GA, England (RECEIVED March 13, 2003; FINAL REVISION May 23, 2003; ACCEPTED May 27, 2003 experimental observations from X-ray crystallography or nuclear magnetic resonance (NMR) spectroscopy experi@cryst.bioc.cam.ac.uk; fax: 44-(0)-1223-766082. 1 Present address: Biological Engineering Division, Massachusetts Insti- tute

  10. CHEMISTRY 1 Faculty of Natural Sciences, Department of

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    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

  11. 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

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

    E-Print Network [OSTI]

    Powers, Robert

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

  13. The effect of distributed exchange parameters on magnetocaloric refrigeration capacity in amorphous and nanocomposite materials

    E-Print Network [OSTI]

    Laughlin, David E.

    energy on interatomic spacing. The magnetic entropy curve revealed extra broadening with a refrigerationThe effect of distributed exchange parameters on magnetocaloric refrigeration capacity in amorphous of Physics. Related Articles Crystallography, magnetic, and magnetocaloric properties of Gd57.5Co20Al22

  14. Optimization of a pyrazole hit from FBDD into a novel series of indazoles as ketohexokinase inhibitors

    SciTech Connect (OSTI)

    Zhang, Xuqing; Song, Fengbing; Kuo, Gee-Hong; Xiang, Amy; Gibbs, Alan C.; Abad, Marta C.; Sun, Weimei; Kuo, Lawrence C.; Sui, Zhihua (J) [J; (J-PRD)

    2013-11-20T23:59:59.000Z

    A series of indazoles have been discovered as KHK inhibitors from a pyrazole hit identified through fragment-based drug discovery (FBDD). The optimization process guided by both X-ray crystallography and solution activity resulted in lead-like compounds with good pharmaceutical properties.

  15. Bi23 BIOLOGY TUTORIALS WINTER TERM 2014

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    Low, Steven H.

    Bi23 BIOLOGY TUTORIALS WINTER TERM 2014 SECTIONS 1 ­ 3 The Function and Regulation of Sleep (3. Huang, x3446, MC 156-29 #12;Bi23 BIOLOGY TUTORIALS WINTER TERM 2014 SECTIONS 4-6 Physical Principles crystallography and neutron scattering; nuclear magnetic resonance and magnetic resonance imaging; peptide and DNA

  16. Structure determination of bromotricarbonyl([eta]-cyclopentadienyl)molybdenum(II)

    E-Print Network [OSTI]

    Boyle, T. J.; Takusagawa, Fusao; Heppert, J. A.

    1990-01-01T23:59:59.000Z

    -2701/90/050892-02S03.00 © 1990 International Union of Crystallography TIMOTHY J. BOYLE, FUSAO TAKUSAGAWA AND JOSEPH A. HEPPERT 893 crIo. The index range was - 8 < h < 8, 0 < k < 11, - 12 < / < 0. Two reflections were monitored after...

  17. BioMed Central Page 1 of 10

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    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

  18. 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

  19. This article appeared in a journal published by Elsevier. The attached copy is furnished to the author for internal non-commercial research

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    Demir, Hilmi Volkan

    t We propose and demonstrate photocatalytic hybrid nanocomposites that co-integrate TiO2 and Zn, crystallography, and chemical bonding states for the hybrid TiO2­ZnO nanocomposite films, in comparisonDirect Applied Catalysis B: Environmental journal homepage: www.elsevier.com/locate/apcatb Photocatalytic hybrid

  20. Crystallographic Characteristics of Grain Boundaries in Dense Yttria-Stabilized Zirconia

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    Rohrer, Gregory S.

    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