WorldWideScience

Sample records for open active site

  1. Disturbance opens recruitment sites for bacterial colonization in activated sludge.

    Science.gov (United States)

    Vuono, David C; Munakata-Marr, Junko; Spear, John R; Drewes, Jörg E

    2016-01-01

    Little is known about the role of immigration in shaping bacterial communities or the factors that may dictate success or failure of colonization by bacteria from regional species pools. To address these knowledge gaps, the influence of bacterial colonization into an ecosystem (activated sludge bioreactor) was measured through a disturbance gradient (successive decreases in the parameter solids retention time) relative to stable operational conditions. Through a DNA sequencing approach, we show that the most abundant bacteria within the immigrant community have a greater probability of colonizing the receiving ecosystem, but mostly as low abundance community members. Only during the disturbance do some of these bacterial populations significantly increase in abundance beyond background levels and in few cases become dominant community members post-disturbance. Two mechanisms facilitate the enhanced enrichment of immigrant populations during disturbance: (i) the availability of resources left unconsumed by established species and (ii) the increased availability of niche space for colonizers to establish and displace resident populations. Thus, as a disturbance decreases local diversity, recruitment sites become available to promote colonization. This work advances our understanding of microbial resource management and diversity maintenance in complex ecosystems. © 2015 Society for Applied Microbiology and John Wiley & Sons Ltd.

  2. Disturbance opens recruitment sites for bacterial colonization in activated sludge

    OpenAIRE

    Marr, Junko; Spear, John; Drewes, Jörg; Vuono, David

    2015-01-01

    Little is known about the role of immigration in shaping bacterial communities or the factors that may dictate success or failure of colonization by bacteria from regional species pools. To address these knowledge gaps, the influence of bacterial colonization into an ecosystem (activated sludge bioreactor) was measured through a disturbance gradient (successive decreases in the parameter solids retention time) relative to stable operational conditions. Through a DNA sequencing approach, we sh...

  3. Open-field test site

    Science.gov (United States)

    Gyoda, Koichi; Shinozuka, Takashi

    1995-06-01

    An open-field test site with measurement equipment, a turn table, antenna positioners, and measurement auxiliary equipment was remodelled at the CRL north-site. This paper introduces the configuration, specifications and characteristics of this new open-field test site. Measured 3-m and 10-m site attenuations are in good agreement with theoretical values, and this means that this site is suitable for using 3-m and 10-m method EMI/EMC measurements. The site is expected to be effective for antenna measurement, antenna calibration, and studies on EMI/EMC measurement methods.

  4. Open challenges in structure-based virtual screening: Receptor modeling, target flexibility consideration and active site water molecules description.

    Science.gov (United States)

    Spyrakis, Francesca; Cavasotto, Claudio N

    2015-10-01

    Structure-based virtual screening is currently an established tool in drug lead discovery projects. Although in the last years the field saw an impressive progress in terms of algorithm development, computational performance, and retrospective and prospective applications in ligand identification, there are still long-standing challenges where further improvement is needed. In this review, we consider the conceptual frame, state-of-the-art and recent developments of three critical "structural" issues in structure-based drug lead discovery: the use of homology modeling to accurately model the binding site when no experimental structures are available, the necessity of accounting for the dynamics of intrinsically flexible systems as proteins, and the importance of considering active site water molecules in lead identification and optimization campaigns. Copyright © 2015 Elsevier Inc. All rights reserved.

  5. A Chemical Route to Activation of Open Metal Sites in the Copper-Based Metal-Organic Framework Materials HKUST-1 and Cu-MOF-2.

    Science.gov (United States)

    Kim, Hong Ki; Yun, Won Seok; Kim, Min-Bum; Kim, Jeung Yoon; Bae, Youn-Sang; Lee, JaeDong; Jeong, Nak Cheon

    2015-08-12

    Open coordination sites (OCSs) in metal-organic frameworks (MOFs) often function as key factors in the potential applications of MOFs, such as gas separation, gas sorption, and catalysis. For these applications, the activation process to remove the solvent molecules coordinated at the OCSs is an essential step that must be performed prior to use of the MOFs. To date, the thermal method performed by applying heat and vacuum has been the only method for such activation. In this report, we demonstrate that methylene chloride (MC) itself can perform the activation role: this process can serve as an alternative "chemical route" for the activation that does not require applying heat. To the best of our knowledge, no previous study has demonstrated this function of MC, although MC has been popularly used in the pretreatment step prior to the thermal activation process. On the basis of a Raman study, we propose a plausible mechanism for the chemical activation, in which the function of MC is possibly due to its coordination with the Cu(2+) center and subsequent spontaneous decoordination. Using HKUST-1 film, we further demonstrate that this chemical activation route is highly suitable for activating large-area MOF films.

  6. The structure of a novel thermophilic esterase from the Planctomycetes species, Thermogutta terrifontis reveals an open active site due to a minimal ‘cap’ domain.

    Directory of Open Access Journals (Sweden)

    Jennifer Ann Littlechild

    2015-11-01

    Full Text Available A carboxyl esterase (TtEst2 has been identified in a novel thermophilic bacterium, Thermogutta terrifontis from the phylum Planctomycetes and has been cloned and over-expressed in Escherichia coli. The enzyme has been characterised biochemically and shown to have activity towards small p-nitrophenyl (pNP carboxylic esters with optimal activity for pNP-acetate. The enzyme shows moderate thermostability retaining 75% activity after incubation for 30 minutes at 70°C. The crystal structures have been determined for the native TtEst2 and its complexes with the carboxylic acid products propionate, butyrate and valerate. TtEst2 differs from most enzymes of the α/β-hydrolase family 3 as it lacks the majority of the ‘cap’ domain and its active site cavity is exposed to the solvent. The bound ligands have allowed the identification of the carboxyl pocket in the enzyme active site. Comparison of TtEst2 with structurally related enzymes has given insight into how differences in their substrate preference can be rationalised based upon the properties of their active site pockets.

  7. Humboldt Open Ocean Disposal Site (HOODS) Survey Work 2014

    Data.gov (United States)

    U.S. Environmental Protection Agency — The Humboldt Open Ocean Disposal Site (HOODS) is a dredged material disposal site located 3 nautical miles (nm) offshore of Humboldt Bay in Northern California....

  8. DOE site performance assessment activities

    International Nuclear Information System (INIS)

    1990-07-01

    Information on performance assessment capabilities and activities was collected from eight DOE sites. All eight sites either currently dispose of low-level radioactive waste (LLW) or plan to dispose of LLW in the near future. A survey questionnaire was developed and sent to key individuals involved in DOE Order 5820.2A performance assessment activities at each site. The sites surveyed included: Hanford Site (Hanford), Idaho National Engineering Laboratory (INEL), Los Alamos National Laboratory (LANL), Nevada Test Site (NTS), Oak Ridge National Laboratory (ORNL), Paducah Gaseous Diffusion Plant (Paducah), Portsmouth Gaseous Diffusion Plant (Portsmouth), and Savannah River Site (SRS). The questionnaire addressed all aspects of the performance assessment process; from waste source term to dose conversion factors. This report presents the information developed from the site questionnaire and provides a comparison of site-specific performance assessment approaches, data needs, and ongoing and planned activities. All sites are engaged in completing the radioactive waste disposal facility performance assessment required by DOE Order 5820.2A. Each site has achieved various degrees of progress and have identified a set of critical needs. Within several areas, however, the sites identified common needs and questions

  9. Polyphenoloxidase and Perioxidase Activity During Open Air ...

    African Journals Online (AJOL)

    Polyphenoloxidase and Perioxidase Activity During Open Air Ripening Storage of Pineapple ( Ananas comosus L.), Mango ( Mangifera indica ) and Papaya ( Carica papaya ) Fruits Grown in Dar es Salaam, Tanzania.

  10. 75 FR 6063 - Availability of NRC Open Government Web Site

    Science.gov (United States)

    2010-02-05

    ... ( http://www.nrc.gov/open ) will be available by February 6, 2010, and directs that, after February 10... http://www.regulations.gov Web site. FOR FURTHER INFORMATION CONTACT: James B. Schaeffer, Deputy..., 2010, and provided options for submitting comments by mail, fax, or at http://www.regulations.gov , but...

  11. Open magnetic fields in active regions

    International Nuclear Information System (INIS)

    Svestka, Z.; Solodyna, C.V.; Levine, R.H.

    1977-01-01

    Soft X-ray observations confirm that some of the dark gaps seen between interconnecting loops and inner cores of active regions may be loci of open fields, as it has been predicted by global potential extrapolation of photospheric magnetic fields. It seems that the field lines may open only in a later state of the active region development. (Auth.)

  12. HOME Participating Jurisdictions Open Activities Reports

    Data.gov (United States)

    Department of Housing and Urban Development — This report is an MS Excel spreadsheet broken up by state. Participating Jurisdictions can use this report to view open activities in IDIS including activities with...

  13. Salt site performance assessment activities

    International Nuclear Information System (INIS)

    Kircher, J.F.; Gupta, S.K.

    1983-01-01

    During this year the first selection of the tools (codes) for performance assessments of potential salt sites have been tentatively selected and documented; the emphasis has shifted from code development to applications. During this period prior to detailed characterization of a salt site, the focus is on bounding calculations, sensitivity and with the data available. The development and application of improved methods for sensitivity and uncertainty analysis is a focus for the coming years activities and the subject of a following paper in these proceedings. Although the assessments to date are preliminary and based on admittedly scant data, the results indicate that suitable salt sites can be identified and repository subsystems designed which will meet the established criteria for protecting the health and safety of the public. 36 references, 5 figures, 2 tables

  14. Open magnetic fields in active regions

    Science.gov (United States)

    Svestka, Z.; Solodyna, C. V.; Howard, R.; Levine, R. H.

    1977-01-01

    Soft X-ray images and magnetograms of several active regions and coronal holes are examined which support the interpretation that some of the dark X-ray gaps seen between interconnecting loops and inner cores of active regions are foot points of open field lines inside the active regions. Characteristics of the investigated dark gaps are summarized. All the active regions with dark X-ray gaps at the proper place and with the correct polarity predicted by global potential extrapolation of photospheric magnetic fields are shown to be old active regions, indicating that field opening is accomplished only in a late phase of active-region development. It is noted that some of the observed dark gaps probably have nothing in common with open fields, but are either due to the decreased temperature in low-lying portions of interconnecting loops or are the roots of higher and less dense or cooler loops.

  15. Optimizing Ocean Space: Co-siting Open Ocean Aquaculture

    Science.gov (United States)

    Cobb, B. L.; Wickliffe, L. C.; Morris, J. A., Jr.

    2016-12-01

    In January of 2016, NOAA's National Marine Fisheries Service released the Gulf Aquaculture Plan (GAP) to manage the development of environmentally sound and economically sustainable open ocean finfish aquaculture in the Gulf of Mexico (inside the U.S. Exclusive Economic Zone [EEZ]). The GAP provides the first regulatory framework for aquaculture in federal waters with estimated production of 64 million pounds of finfish, and an estimated economic impact of $264 million annually. The Gulf of Mexico is one of the most industrialized ocean basins in the world, with many existing ocean uses including oil and natural gas production, shipping and commerce, commercial fishing operations, and many protected areas to ensure conservation of valuable ecosystem resources and services. NOAA utilized spatial planning procedures and tools identifying suitable sites for establishing aquaculture through exclusion analyses using authoritative federal and state data housed in a centralized geodatabase. Through a highly collaborative, multi-agency effort a mock permitting exercise was conducted to illustrate the regulatory decision-making process for the Gulf. Further decision-making occurred through exploring co-siting opportunities with oil and natural gas platforms. Logistical co-siting was conducted to reduce overall operational costs by looking at distance to major port and commodity tonnage at each port. Importantly, the process of co-siting allows aquaculture to be coupled with other benefits, including the availability of previously established infrastructure and the reduction of environmental impacts.

  16. A New Global Open Source Marine Hydrocarbon Emission Site Database

    Science.gov (United States)

    Onyia, E., Jr.; Wood, W. T.; Barnard, A.; Dada, T.; Qazzaz, M.; Lee, T. R.; Herrera, E.; Sager, W.

    2017-12-01

    Hydrocarbon emission sites (e.g. seeps) discharge large volumes of fluids and gases into the oceans that are not only important for biogeochemical budgets, but also support abundant chemosynthetic communities. Documenting the locations of modern emissions is a first step towards understanding and monitoring how they affect the global state of the seafloor and oceans. Currently, no global open source (i.e. non-proprietry) detailed maps of emissions sites are available. As a solution, we have created a database that is housed within an Excel spreadsheet and use the latest versions of Earthpoint and Google Earth for position coordinate conversions and data mapping, respectively. To date, approximately 1,000 data points have been collected from referenceable sources across the globe, and we are continualy expanding the dataset. Due to the variety of spatial extents encountered, to identify each site we used two different methods: 1) point (x, y, z) locations for individual sites and; 2) delineation of areas where sites are clustered. Certain well-known areas, such as the Gulf of Mexico and the Mediterranean Sea, have a greater abundance of information; whereas significantly less information is available in other regions due to the absence of emission sites, lack of data, or because the existing data is proprietary. Although the geographical extent of the data is currently restricted to regions where the most data is publicly available, as the database matures, we expect to have more complete coverage of the world's oceans. This database is an information resource that consolidates and organizes the existing literature on hydrocarbons released into the marine environment, thereby providing a comprehensive reference for future work. We expect that the availability of seafloor hydrocarbon emission maps will benefit scientific understanding of hydrocarbon rich areas as well as potentially aiding hydrocarbon exploration and environmental impact assessements.

  17. Standardized UXO Technology Demonstration Site. Open Field Scoring Record Number 154

    National Research Council Canada - National Science Library

    Overbay, Larry

    2004-01-01

    ...) utilizing the APG Standardized UXO Technology Demonstration Site Open Field. The scoring record was coordinated by Larry Overbay and by the Standardized UXO Technology Demonstration Site Scoring Committee...

  18. Standardized UXO Technology Demonstration Site, Open Field Scoring Record Number 379

    National Research Council Canada - National Science Library

    Overbay, Larry; Robitaille, George

    2005-01-01

    ... (UXO) utilizing the APG Standardized UXO Technology Demonstration Site Open Field. Scoring Records have been coordinated by Larry Overbay and the Standardized UXO Technology Demonstration Site Scoring Committee...

  19. Standardized UXO Technology Demonstration Site Open Field Scoring Record Number 354

    National Research Council Canada - National Science Library

    Overbay, Larry, Jr; Archiable, Robert; McClung, Christina

    2005-01-01

    ...) utilizing the YPG Standardized UXO Technology Demonstration Site Open Field. The scoring record was coordinated by Larry Overbay and by the Standardized UXO Technology Demonstration Site Scoring Committee...

  20. Standardized UXO Technology Demonstration Site Open Field Scoring Record No. 311

    National Research Council Canada - National Science Library

    Overbay, Larry, Jr; Boutin, Matthew; Fling, Rick; McClung, Christina; Robitaille, George

    2005-01-01

    ...) utilizing the APG Standardized UXO Technology Demonstration Site Open Field. The scoring record was coordinated by Larry Overbay and by the Standardized UXO Technology Demonstration Site Scoring Committee...

  1. Standardized UXO Technology Demonstration Site Open Field Scoring Recording Number 231 (Human Factors Applications, Inc.)

    National Research Council Canada - National Science Library

    Overbay, Larry; Robitaille, George

    2005-01-01

    ...) utilizing the APG Standardized UXO Technology Demonstration Site Open Field. The scoring record was coordinated by Larry Overbuy and by the Standardized UXO Technology Demonstration Site Scoring Committee...

  2. Standardized UXO Technology Demonstration Site, Open Field Scoring Record Number 426

    National Research Council Canada - National Science Library

    Overbay, Larry, Jr; Boutin, Matthew; Archiable, Robert; Fling, Rick; McClung, Christina; Robitaille, George

    2005-01-01

    ...) utilizing the YPG Standardized UXO Technology Demonstration Site Open Field. Scoring Records have been coordinated by Larry Overbay and the Standardized UXO Technology Demonstration Site Scoring Committee...

  3. Standardized UXO Technology Demonstration Site, Open Field Scoring Record Number 657

    National Research Council Canada - National Science Library

    Overbay, Larry; Robitaille, George

    2005-01-01

    ...) utilizing the APG Standardized UXO Technology Demonstration Site Open Field. Scoring Records have been coordinated by Larry Overbay and the Standardized UXO Technology Demonstration Site Scoring Committee...

  4. Standardized UXO Technology Demonstration Site Open Field Scoring Record Number 129

    National Research Council Canada - National Science Library

    Overbay, Larry

    2004-01-01

    ...) utilizing the APO Standardized UXO Technology Demonstration Site Open Field. The scoring record was coordinated by Larry Overbay and by the Standardized UXO Technology Demonstration Site Scoring Committee...

  5. Standardized UXO Technology Demonstration Site, Open Field Scoring Record Number 229

    National Research Council Canada - National Science Library

    Overbay, Larry, Jr; Boutin, Matthew; Fling, Rick; McClung, Christina; Robitaille, George

    2005-01-01

    ...) utilizing the APG Standardized UXO Technology Demonstration Site Open Field. The scoring record was coordinated by Larry Overbay and by the Standardized UXO Technology Demonstration Site Scoring Committee...

  6. Standardized UXO Technology Demonstration Site, Open Field Scoring Record Number 411

    National Research Council Canada - National Science Library

    Overbay, Larry; Robitaille, George

    2005-01-01

    ...) utilizing the APG Standardized UXO Technology Demonstration Site Open Field. The scoring record was coordinated by Larry Overbay and by the Standardized UXO Technology Demonstration Site Scoring Committee...

  7. Standardized UXO Technology Demonstration Site, Open Field Scoring Record No. 897

    National Research Council Canada - National Science Library

    Burch, William; Fling, Rick; McClung, Christina

    2008-01-01

    ...) utilizing the APG Standardized UXO Technology Demonstration Site Open Field. This Scoring Record was coordinated by William Burch and the Standardized UXO Technology Demonstration Site Scoring Committee...

  8. Standardized UXO Technology Demonstration Site Open Field Scoring Record Number 673 (Naval Research Laboratories)

    National Research Council Canada - National Science Library

    Overbay, Larry; Robitaille, George

    2005-01-01

    ...) utilizing the APG standardized UXO Technology Demonstration Site Open Field. Scoring Records have been coordinate by Larry Overbay and the Standardized UXO Technology Demonstration Site Scoring Committee...

  9. Standardized UXO Technology Demonstration Site Open Field Scoring Record Number 169

    National Research Council Canada - National Science Library

    Overbay, Larry; Archiable, Robert; McClung, Christina; Robitaille, George

    2005-01-01

    ...) utilizing the YPG Standardized UXO Technology Demonstration Site Open Field. The scoring record was coordinated by Larry Overbay and by the Standardized UXO Technology Demonstration Site Scoring Committee...

  10. Standardized UXO Technology Demonstration Site Open Field Scoring Record Number 492 (Shaw Environmental, Inc.)

    National Research Council Canada - National Science Library

    Overbay, Larry; Robitaille, George

    2005-01-01

    ...) utilizing the APG Standardized UXO Technology Demonstration Site Open Field. Scoring Records have been coordinated by Larry Overbay and the Standardized UXO Technology Demonstration Site Scoring Committee...

  11. Standardized UXO Technology Demonstration Site Open Field Scoring Record No. 442

    National Research Council Canada - National Science Library

    Overbay, Larry, Jr; Boutin, Matthew; Archiable, Robert; Fling, Rick; McClung, Christina; Robitaille, George

    2005-01-01

    ...) unitizing the YPG Standardized UXO Technology Demonstration Site Open Field. The scoring record was coordinated by Larry Overbay and the Standardized UXO Technology Demonstration Site Scoring Committee...

  12. Standardized UXO Technology Demonstration Site Open Field Scoring Record Number 201

    National Research Council Canada - National Science Library

    Overbay, Larry, Jr; Fling, Rick; Robitaille, George

    2004-01-01

    ...) utilizing the APG Standardized UXO Technology Demonstration Site Open Field. The scoring record was coordinated by Larry Overbay and by the Standardized UXO Technology Demonstration Site Scoring Committee...

  13. Standardized UXO Technology Demonstration Site Open Field Scoring Record Number 668 (NAEVA Geophysics, Inc.)

    National Research Council Canada - National Science Library

    Overbay, Larry; Robitaille, George

    2005-01-01

    ...) utilizing they PG Standardized UXO Technology Demonstration Site Open Field. Scoring Records have been coordinate by Larry Overbay and the Standardized UXO Technology Demonstration Site Scoring Committee...

  14. Standardized UXO Technology Demonstration Site Open Field Scoring Record Number 165

    National Research Council Canada - National Science Library

    Overbay, Larry

    2004-01-01

    ...) utilizing the APO Standardized UXO Technology Demonstration Site Open Field. The scoring record was coordinated by Larry Overbay and by the Standardized UXO Technology Demonstration Site Scoring Committee...

  15. Standardized UXO Technology Demonstration Site, Open Field Scoring Record Number 638

    National Research Council Canada - National Science Library

    Overbay, Larry, Jr; Robitaille, George; Boutin, Matthew; Archiable, Robert; McClung, Christina

    2005-01-01

    ...) utilizing the YPG Standardized UXO Technology Demonstration Site Open Field. The scoring record was coordinated by Larry Overbay and the Standardized UXO Technology Demonstration Site Scoring Committee...

  16. Standardized UXO Technology Demonstration Site Open Field Scoring Record No. 857

    National Research Council Canada - National Science Library

    Fling, Rick; McClung, Christina; Banta, Matthew; Burch, William; McDonnell, Patrick

    2007-01-01

    ...) utilizing the APG Standardized UXO Technology Demonstration Site Open Field. This Scoring Record was coordinated by Dennis Teefy and the Standardized UXO Technology Demonstration Site Scoring Committee...

  17. Design of an environmental site assessment template for open radioactive site contamination : a radioecological risk approach and case study

    International Nuclear Information System (INIS)

    Nguyen, T.

    2004-01-01

    To reduce redundancy, cost, and time, while at the same time ultimately increasing the effectiveness of the radioactive risk management process, a logical framework incorporating risk assessments (human cancer and environmental risks) into the environmental site assessment process was designed for radioactive open site contamination. Risk-based corrective action is becoming an increasingly more acceptable approach for the remediation of contaminated sites. In the past, cleanup goals were usually established without any regard to the risk involved, by mandating remediation goals based solely on maximum contamination levels. Now, a multi-stage environmental site assessment template has been developed on a radioecological approach. The template gives a framework for making environmentally sound decisions based on relevant regulations and guidelines. The first stage involves the comparison of the background screening activity level to the regulated activity level, the second stage involves the use of site-specific information to determine the risk involved with the contamination, and the third stage provides a remediation decision matrix based on results from the first two stages. This environmental site assessment template is unique because it incorporates the modified Canadian National Classification System for radioactive contaminated sites and two different types of risk assessments (human cancer risks and the newly designed ecological risk) into the decision making process. The template was used to assess a radiologically contaminated site at the Canadian Forces Base at Suffield (Alberta) as a case study, and it reaffirms the Department of National Defence's action as appropriate. This particular site is a Class 3, has an overall insignificant human cancer risk ( -6 ) and a low environmental risk, and conforms to all regulated guidelines. Currently, it is restricted and should be left as is, provided that the subsurface is not disturbed. (author)

  18. On-site and off-site activities

    International Nuclear Information System (INIS)

    Martin, H.D.

    1986-01-01

    Design principles for NPP training programs. Effects of NPP contracts. Effects of domestic industrial activities. The role of international bodies. Requirements for on-site training. Training abroad, technical, financial and social aspects. Training center on-site, an evaluation. (orig.)

  19. Predicting success of oligomerized pool engineering (OPEN for zinc finger target site sequences

    Directory of Open Access Journals (Sweden)

    Goodwin Mathew J

    2010-11-01

    Full Text Available Abstract Background Precise and efficient methods for gene targeting are critical for detailed functional analysis of genomes and regulatory networks and for potentially improving the efficacy and safety of gene therapies. Oligomerized Pool ENgineering (OPEN is a recently developed method for engineering C2H2 zinc finger proteins (ZFPs designed to bind specific DNA sequences with high affinity and specificity in vivo. Because generation of ZFPs using OPEN requires considerable effort, a computational method for identifying the sites in any given gene that are most likely to be successfully targeted by this method is desirable. Results Analysis of the base composition of experimentally validated ZFP target sites identified important constraints on the DNA sequence space that can be effectively targeted using OPEN. Using alternate encodings to represent ZFP target sites, we implemented Naïve Bayes and Support Vector Machine classifiers capable of distinguishing "active" targets, i.e., ZFP binding sites that can be targeted with a high rate of success, from those that are "inactive" or poor targets for ZFPs generated using current OPEN technologies. When evaluated using leave-one-out cross-validation on a dataset of 135 experimentally validated ZFP target sites, the best Naïve Bayes classifier, designated ZiFOpT, achieved overall accuracy of 87% and specificity+ of 90%, with an ROC AUC of 0.89. When challenged with a completely independent test set of 140 newly validated ZFP target sites, ZiFOpT performance was comparable in terms of overall accuracy (88% and specificity+ (92%, but with reduced ROC AUC (0.77. Users can rank potentially active ZFP target sites using a confidence score derived from the posterior probability returned by ZiFOpT. Conclusion ZiFOpT, a machine learning classifier trained to identify DNA sequences amenable for targeting by OPEN-generated zinc finger arrays, can guide users to target sites that are most likely to function

  20. Standardized UXO Technology Demonstration Site Open Field Scoring Record No. 901 (Sky Research, Inc.)

    National Research Council Canada - National Science Library

    McClung, J. S; Fling, Rick; McClung, Christina; Burch, William; Lombardo, Leonardo; McDonnell, Patrick

    2008-01-01

    ...) utilizing the APG Standardized UXO Technology Demonstration Site Open Field. This Scoring Record was coordinated by Stephen McClung and the Standardized UXO Technology Demonstration Site Scoring Committee...

  1. Standardized UXO Technology Demonstration Site Open Field Scoring Record Number 245

    National Research Council Canada - National Science Library

    Overbay, Larry

    2005-01-01

    ... (UXO) utilizing the YPG Standardized UXO Technology Demonstration Site Open Field. The scoring record was coordinated by Larry Overbay and by the Standardized UXO Technology Demonstration Site Scoring Committee...

  2. Standardized UXO Technology Demonstration Site Open Field Scoring Record Number 675

    National Research Council Canada - National Science Library

    Overbay, Larry; Robitaille, George

    2005-01-01

    ... (UXO) utilizing the APG Standardized UXO Technology Demonstration Site Open Field. The scoring record was coordinated by Larry Overbay and by the Standardized UXO Technology Demonstration Site Scoring Committee...

  3. Active Site Engineering in Electrocatalysis

    DEFF Research Database (Denmark)

    Verdaguer Casadevall, Arnau; Stephens, Ifan; Chorkendorff, Ib

    on nanostructured electrodes.• Oxygen reduction to water has been carried out on Pt-rare earth alloys, which outperformed the activity of Pt by as much as a factor of five while showing promising stability. The increase in activity can be attributed to compressive strain of the Pt overlayer formed under reaction......, which greatly enhanced selectivity to H2O2 during oxygen reduction. Compared to state-of-theart Au-based catalysts, Pt-Hg and Pd-Hg alloys present over 20 and 100 times increase in mass activity respectively. It was proven that activity for this reaction is controlled by the binding energy of the sole...... reaction intermediate. • CO2 and CO electroreduction studies have attempted to understand the unprecedented activity of oxide-derived Cu recently reported in the literature. Temperature programmed desorption measurements reveal very strong CO binding at these surfaces, inexistent in other forms of Cu...

  4. Activities on the site during construction phase

    International Nuclear Information System (INIS)

    Fickel, O.F.

    1977-01-01

    A survey is given of the work done on the site from site-opening till turn over of the plant to the client. After a short introduction to time schedules, manpower on site, site facilities and civil work and constructions, the commissioning and trial operation phase is discussed in detail. This phase begins with finishing the assembly of individual systems and components and ends with the trial operation and the acceptance measurement. During this period the subsystems are started-up in a useful sequence, first from cold, then from hot conditions and are finally operated as a total with nuclear energy. The single steps are: a) commissioning of indivudal systems; b) hot functional test 1 (without fuels) c) baseline inspection at the reactor pressure vessel; d) hot functional test 2 (with fuels); e) preparation for first criticality; f) postcriticality test program; g) trial operation: h) acceptance measurement. (HP) [de

  5. Efficient oxygen electrocatalysis on special active sites

    DEFF Research Database (Denmark)

    Halck, Niels Bendtsen

    throughout this thesis to understand these local structure effects and their influence on surface reactions. The concept of these special active sites is used to explain how oxygen evolution reaction (OER) catalysts can have activities beyond the limits of what was previously thought possible. The concept...... stored in these bonds in an eco-friendly fashion in fuel cells. This thesis explores catalysts for oxygen electrocatalysis and how carefully designed local structures on catalysts surfaces termed special active sites can influence the activity. Density functional theory has been used as a method...... is used to explain the increase in activity observed for the OER catalyst ruthenium dioxide when it is mixed with nickel or cobalt. Manganese and cobalt oxides when in the vicinity of gold also display an increase in OER activity which can be explained by locally created special active sites. Density...

  6. Promoter proximal polyadenylation sites reduce transcription activity

    DEFF Research Database (Denmark)

    Andersen, Pia Kjølhede; Lykke-Andersen, Søren; Jensen, Torben Heick

    2012-01-01

    Gene expression relies on the functional communication between mRNA processing and transcription. We previously described the negative impact of a point-mutated splice donor (SD) site on transcription. Here we demonstrate that this mutation activates an upstream cryptic polyadenylation (CpA) site......, which in turn causes reduced transcription. Functional depletion of U1 snRNP in the context of the wild-type SD triggers the same CpA event accompanied by decreased RNA levels. Thus, in accordance with recent findings, U1 snRNP can shield premature pA sites. The negative impact of unshielded pA sites...... on transcription requires promoter proximity, as demonstrated using artificial constructs and supported by a genome-wide data set. Importantly, transcription down-regulation can be recapitulated in a gene context devoid of splice sites by placing a functional bona fide pA site/transcription terminator within ∼500...

  7. Knowledge related activities in open innovation

    DEFF Research Database (Denmark)

    Pedrosa, Alex; Välling, Margus; Boyd, Britta

    2013-01-01

    interaction in open innovation. Despite valuable insights into the importance of the variety of external knowledge sources to enhance (open) innovation, research has overlooked so far that managers’ characteristics and practices are relevant for the absorption of external knowledge in open innovation. Thus......Theory and practice both have recognised the importance of external knowledge to enhance organisations’ innovation performance. Due to organisations’ growing interest in effectively collaborating with external knowledge sources, research has investigated the importance of firm-external stakeholder......, the purpose of this study is to explore how organisations’ absorptive capacity – exploration, transformation, and exploitation – becomes manifested in managers’ characteristics and practices in open innovation. This article reports on the findings obtained from four case studies of manufacturing and service...

  8. Self-Assembly of Coordinative Supramolecular Polygons with Open Binding Sites.

    Science.gov (United States)

    Zheng, Yao-Rong; Wang, Ming; Kobayashi, Shiho; Stang, Peter J

    2011-04-27

    The design and synthesis of coordinative supramolecular polygons with open binding sites is described. Coordination-driven self-assembly of 2,6-bis(pyridin-4-ylethynyl)pyridine with 60° and 120° organoplatinum acceptors results in quantitative formation of a supramolecular rhomboid and hexagon, respectively, both bearing open pyridyl binding sites. The structures were determined by multinuclear ((31)P and (1)H) NMR spectroscopy and electrospray ionization (ESI) mass spectrometry, along with a computational study.

  9. The EuroSITES network: Integrating and enhancing fixed-point open ocean observatories around Europe

    Science.gov (United States)

    Lampitt, Richard S.; Larkin, Kate E.; EuroSITES Consortium

    2010-05-01

    EuroSITES is a 3 year (2008-2011) EU collaborative project (3.5MEuro) with the objective to integrate and enhance the nine existing open ocean fixed point observatories around Europe (www.eurosites.info). These observatories are primarily composed of full depth moorings and make multidisciplinary in situ observations within the water column as the European contribution to the global array OceanSITES (www.oceansites.org). In the first 18 months, all 9 observatories have been active and integration has been significant through the maintenance and enhancement of observatory hardware. Highlights include the enhancement of observatories with sensors to measure O2, pCO2, chlorophyll, and nitrate in near real-time from the upper 1000 m. In addition, some seafloor missions are also actively supported. These include seafloor platforms currently deployed in the Mediterranean, one for tsunami detection and one to monitor fluid flow related to seismic activity and slope stability. Upcoming seafloor science missions in 2010 include monitoring benthic biological communities and associated biogeochemistry as indicators of climate change in both the Northeast Atlantic and Mediterranean. EuroSITES also promotes the development of innovative sensors and samplers in order to progress capability to measure climate-relevant properties of the ocean. These include further developing current technologies for autonomous long-term monitoring of oxygen consumption in the mesopelagic, pH and mesozooplankton abundance. Many of these science missions are directly related to complementary activities in other European projects such as EPOCA, HYPOX and ESONET. In 2010 a direct collaboration including in situ field work will take place between ESONET and EuroSITES. The demonstration mission MODOO (funded by ESONET) will be implemented in 2010 at the EuroSITES PAP observatory. Field work will include deployment of a seafloor lander system with various sensors which will send data to shore in real

  10. Standardized UXO Technology Demonstration Site, Open Field Scoring Record No. 770. Magnetometer FEREX DLG GPS/Sling

    National Research Council Canada - National Science Library

    Karwatka, Mike; Packer, Bonnie

    2006-01-01

    ...) utilizing the YPG Standardized UXO Technology Demonstration Site open field. Scoring Records have been coordinated by Mike Karwatka and the Standardized UXO Technology Demonstration Site Scoring Committee...

  11. Stellar activity with LAMOST - II. Chromospheric activity in open clusters

    Science.gov (United States)

    Fang, Xiang-Song; Zhao, Gang; Zhao, Jing-Kun; Bharat Kumar, Yerra

    2018-05-01

    We use the LAMOST spectra of member stars in Pleiades, M34, Praesepe, and Hyades to study how chromospheric activity varies as a function of mass and rotation at different age. We measured excess equivalent widths of H α, H β, and Ca II K based on estimated chromospheric contributions from old and inactive field dwarfs, and excess luminosities are obtained by normalizing bolometric luminosity, for more than 700 late-type stars in these open clusters. Results indicate two activity sequences in cool spot coverage and H α excess emission among GK dwarfs in Pleiades and M dwarfs in Praesepe and Hyades, paralleling with well-known rotation sequences. A weak dependence of chromospheric emission on rotation exists among ultrafast rotators in saturated regime with Rossby number Ro ≲ 0.1. In the unsaturated regime, chromospheric and coronal emission show similar dependence on Ro, but with a shift towards larger Ro, indicating chromospheric emission gets easily saturated than coronal emission, and/or convective turnover time-scales based on X-ray data do not work well with chromospheric emission. More interestingly, our analysis shows fully convective slow rotators obey the rotation-chromospheric activity relation similar to hotter stars, confirming the previous finding. We found correlations among H α, H β, and Ca II K emissions, in which H α losses are more important than Ca II K for cooler and more active stars. In addition, a weak correlation is seen between chromospheric emission and photospheric activity that shows dependence on stellar spectral type and activity level, which provides some clues on how spot configuration varies as a function of mass and activity level.

  12. Managing Siting Activities for Nuclear Power Plants

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2012-06-15

    One of the IAEA's statutory objectives is to ''seek to accelerate and enlarge the contribution of atomic energy to peace, health and prosperity throughout the world''. One way this objective is achieved is through the publication of a range of technical series. Two of these are the IAEA Nuclear Energy Series and the IAEA Safety Standards Series. According to Article III.A.6 of the IAEA Statute, the safety standards establish 'standards of safety for protection of health and minimization of danger to life and property.' The safety standards include the Safety Fundamentals, Safety Requirements and Safety Guides. These standards are written primarily in a regulatory style, and are binding on the IAEA for its own programmes. The principal users are the regulatory bodies in Member States and other national authorities. The IAEA Nuclear Energy Series comprises reports designed to encourage and assist R and D on, and application of, nuclear energy for peaceful uses. This includes practical examples to be used by owners and operators of utilities in Member States, implementing organizations, academia, and government officials, among others. This information is presented in guides, reports on technology status and advances, and best practices for peaceful uses of nuclear energy based on inputs from international experts. The IAEA Nuclear Energy Series complements the IAEA Safety Standards Series. The introduction of nuclear power brings new challenges to States - one of them being the selection of appropriates sites. It is a project that needs to begin early, be well managed, and deploy good communications with all stakeholders; including regulators. This is important, not just for those States introducing nuclear power for the first time, but for any State looking to build a new nuclear power plant. The purpose of the siting activities goes beyond choosing a suitable site and acquiring a licence. A large part of the project is about producing and maintaining a validated

  13. Managing Siting Activities for Nuclear Power Plants

    International Nuclear Information System (INIS)

    2012-01-01

    One of the IAEA's statutory objectives is to ''seek to accelerate and enlarge the contribution of atomic energy to peace, health and prosperity throughout the world''. One way this objective is achieved is through the publication of a range of technical series. Two of these are the IAEA Nuclear Energy Series and the IAEA Safety Standards Series. According to Article III.A.6 of the IAEA Statute, the safety standards establish 'standards of safety for protection of health and minimization of danger to life and property.' The safety standards include the Safety Fundamentals, Safety Requirements and Safety Guides. These standards are written primarily in a regulatory style, and are binding on the IAEA for its own programmes. The principal users are the regulatory bodies in Member States and other national authorities. The IAEA Nuclear Energy Series comprises reports designed to encourage and assist R and D on, and application of, nuclear energy for peaceful uses. This includes practical examples to be used by owners and operators of utilities in Member States, implementing organizations, academia, and government officials, among others. This information is presented in guides, reports on technology status and advances, and best practices for peaceful uses of nuclear energy based on inputs from international experts. The IAEA Nuclear Energy Series complements the IAEA Safety Standards Series. The introduction of nuclear power brings new challenges to States - one of them being the selection of appropriates sites. It is a project that needs to begin early, be well managed, and deploy good communications with all stakeholders; including regulators. This is important, not just for those States introducing nuclear power for the first time, but for any State looking to build a new nuclear power plant. The purpose of the siting activities goes beyond choosing a suitable site and acquiring a licence. A large part of the project is about producing and maintaining a validated

  14. Communication activities for NUMO's site selection process

    International Nuclear Information System (INIS)

    Takeuchi, Mitsuo; Okuyama, Shigeru; Kitayama, Kazumi; Kuba, Michiyoshi

    2004-01-01

    A siting program for geological disposal of high-level radioactive waste (HLW) in Japan has just started and is moving into a new stage of communication with the public. A final repository site will be selected via a stepwise process, as stipulated in the Specified Radioactive Waste Final Disposal Act promulgated in June 2000. Based on the Act, the site selection process of the Nuclear Waste Management Organization of Japan (NUMO, established in October 2000) will be carried out in the three steps: selection of Preliminary Investigation Areas (PIAs), selection of Detailed Investigation Areas (DIAs) and selection of the Repository Site. The Act also defines NUMO's responsibilities in terms of implementing the HLW disposal program in an open and transparent manner. NUMO fully understands the importance of public participation in its activities and is aiming to promote public involvement in the process of site selection based on a fundamental policy, which consists of 'adopting a stepwise approach', 'respecting the initiative of municipalities' and 'ensuring transparency in information disclosure'. This policy is clearly reflected in the adoption of an open solicitation approach for volunteer municipalities for Preliminary Investigation Areas (PIAs). NUMO made the official announcement of the start of its open solicitation program on 19 December 2002. This paper outlines how NUMO's activities are currently carried out with a view to encouraging municipalities to volunteer as PIAs and how public awareness of the safety of the HLW disposal is evaluated at this stage

  15. The first Neanderthal remains from an open-air Middle Palaeolithic site in the Levant.

    Science.gov (United States)

    Been, Ella; Hovers, Erella; Ekshtain, Ravid; Malinski-Buller, Ariel; Agha, Nuha; Barash, Alon; Mayer, Daniella E Bar-Yosef; Benazzi, Stefano; Hublin, Jean-Jacques; Levin, Lihi; Greenbaum, Noam; Mitki, Netta; Oxilia, Gregorio; Porat, Naomi; Roskin, Joel; Soudack, Michalle; Yeshurun, Reuven; Shahack-Gross, Ruth; Nir, Nadav; Stahlschmidt, Mareike C; Rak, Yoel; Barzilai, Omry

    2017-06-07

    The late Middle Palaeolithic (MP) settlement patterns in the Levant included the repeated use of caves and open landscape sites. The fossil record shows that two types of hominins occupied the region during this period-Neandertals and Homo sapiens. Until recently, diagnostic fossil remains were found only at cave sites. Because the two populations in this region left similar material cultural remains, it was impossible to attribute any open-air site to either species. In this study, we present newly discovered fossil remains from intact archaeological layers of the open-air site 'Ein Qashish, in northern Israel. The hominin remains represent three individuals: EQH1, a nondiagnostic skull fragment; EQH2, an upper right third molar (RM 3 ); and EQH3, lower limb bones of a young Neandertal male. EQH2 and EQH3 constitute the first diagnostic anatomical remains of Neandertals at an open-air site in the Levant. The optically stimulated luminescence ages suggest that Neandertals repeatedly visited 'Ein Qashish between 70 and 60 ka. The discovery of Neandertals at open-air sites during the late MP reinforces the view that Neandertals were a resilient population in the Levant shortly before Upper Palaeolithic Homo sapiens populated the region.

  16. Quantum mechanical design of enzyme active sites.

    Science.gov (United States)

    Zhang, Xiyun; DeChancie, Jason; Gunaydin, Hakan; Chowdry, Arnab B; Clemente, Fernando R; Smith, Adam J T; Handel, T M; Houk, K N

    2008-02-01

    The design of active sites has been carried out using quantum mechanical calculations to predict the rate-determining transition state of a desired reaction in presence of the optimal arrangement of catalytic functional groups (theozyme). Eleven versatile reaction targets were chosen, including hydrolysis, dehydration, isomerization, aldol, and Diels-Alder reactions. For each of the targets, the predicted mechanism and the rate-determining transition state (TS) of the uncatalyzed reaction in water is presented. For the rate-determining TS, a catalytic site was designed using naturalistic catalytic units followed by an estimation of the rate acceleration provided by a reoptimization of the catalytic site. Finally, the geometries of the sites were compared to the X-ray structures of related natural enzymes. Recent advances in computational algorithms and power, coupled with successes in computational protein design, have provided a powerful context for undertaking such an endeavor. We propose that theozymes are excellent candidates to serve as the active site models for design processes.

  17. Balancing Openness and Interpretation in Active Listening

    Science.gov (United States)

    Topornycky, Joseph; Golparian, Shaya

    2016-01-01

    Active listening is an important communication skill in a variety of disciplines and professions, including the profession of Educational Development. In our roles as educational developers, we engage in a variety of processes, all of which rely heavily on the practice of active listening. Emerging strategies of active listening praxis have…

  18. Retail market opening plan : key activities and milestones to market opening on May 1, 2002

    International Nuclear Information System (INIS)

    2002-01-01

    The Ontario Energy Board (OEB) published its Retail Market Readiness Plan in January 2000 with particular focus on what is needed by distributors to become ready for self certification on December 14, 2001. The market opening date has now been set for May 1, 2002 so the framework has been updated to focus on what is needed to open the electricity market to retail competition. This report describes the activities required for the opening of the retail electricity market with reference to the activities that the participants, distributors and retailers need to complete to properly interact at market opening. The measures that other organizations such as EBT hubs should take were also identified for cases where the measures involve cooperation and interaction with distributors and retailers to ensure a smooth transition to competition within the industry. While schedules of individual organizations will vary, market participants should try to align with the overall framework at key milestones. The mandatory requirements associated with milestones were included in Appendix B. These included requirements for: market opening baseline; market readiness activities; participant systems and organizational preparations; loading of new rates into systems; cutover to new systems by market participants; data scrubbing; multiple contract resolution; pre-market processing; distributor-retailer service agreement; retail prudential posting; inter-participant testing; contingency arrangements; stability period; and, market opening. Appendix A includes the Market Opening Gantt Chart. 1 tab

  19. Monitoring air quality with lichens: A comparison between mapping in forest sites and in open areas

    International Nuclear Information System (INIS)

    Policnik, Helena; Simoncic, Primoz; Batic, Franc

    2008-01-01

    Four different methods of epiphytic lichen mapping were used for the assessment of air quality in the region under the influence of the Sostanj Thermal Power Plant (Salek Valley, Slovenia). Three methods were based on the presence of different lichen species (VDI, EU and ICP-Forest), the fourth on a frequency and coverage assessment of different growth forms of epiphytic lichens, e.g. crustose, foliose and fruticose (SI). A comparison of the results from the assessment of air quality between forest sites (ICP-Forest, SI) and open areas (VDI, EU and SI), obtained by the different methods of epiphytic lichen mapping, is presented in the contribution. Data showed that lichen species richness is worse in forest sites in comparison with open areas. From the data obtained it can be concluded that epiphytic lichen mapping in open areas is a better method for the assessment of air pollution in a given area than mapping in forest sites. The species-based methods in open areas are more powerful and useful for air quality assessment in polluted research areas than the SI and ICP-Forest methods. - The mapping of epiphytic lichens in open areas is more suitable for air quality assessment than mapping in forest sites in the Salek Valley, Slovenia

  20. Soil contamination by brominated flame retardants in open waste dumping sites in Asian developing countries.

    Science.gov (United States)

    Eguchi, Akifimi; Isobe, Tomohiko; Ramu, Karri; Tue, Nguyen Minh; Sudaryanto, Agus; Devanathan, Gnanasekaran; Viet, Pham Hung; Tana, Rouch Seang; Takahashi, Shin; Subramanian, Annamalai; Tanabe, Shinsuke

    2013-03-01

    In Asian developing countries, large amounts of municipal wastes are dumped into open dumping sites each day without adequate management. This practice may cause several adverse environmental consequences and increase health risks to local communities. These dumping sites are contaminated with many chemicals including brominated flame retardants (BFRs) such as polybrominated diphenyl ethers (PBDEs) and hexabromocyclododecanes (HBCDs). BFRs may be released into the environment through production processes and through the disposal of plastics and electronic wastes that contain them. The purpose of this study was to elucidate the status of BFR pollution in municipal waste dumping sites in Asian developing countries. Soil samples were collected from six open waste dumping sites and five reference sites in Cambodia, India, Indonesia, Malaysia, and Vietnam from 1999 to 2007. The results suggest that PBDEs are the dominant contaminants in the dumping sites in Asian developing countries, whereas HBCD contamination remains low. Concentrations of PBDEs and HBCDs ranged from ND to 180 μg/kg dry wt and ND to 1.4 μg/kg dry wt, respectively, in the reference sites and from 0.20 to 430 μg/kg dry wt and ND to 2.5 μg/kg dry wt, respectively, in the dumping sites. Contamination levels of PBDEs in Asian municipal dumping sites were comparable with those reported from electronic waste dismantling areas in Pearl River delta, China. Copyright © 2012 Elsevier Ltd. All rights reserved.

  1. Christianisation and the afterlife of pagan open-air cult sites

    NARCIS (Netherlands)

    Groenewoudt, B.J.; Beek, van Roy; Groothedde, Michel

    2016-01-01

    In this article we try to explain why some pagan open-air cult sites were used until the twelfth to thirteenth centuries or even later, long after the introduction of Christianity (sixth to eighth centuries) in what are now the Netherlands. To reconstruct the Christianization process we link Milis’

  2. Surgical site infection after open reduction and internal fixation of tibial plateau fractures.

    Science.gov (United States)

    Lin, Shishui; Mauffrey, Cyril; Hammerberg, E Mark; Stahel, Philip F; Hak, David J

    2014-07-01

    The aim of this study was to identify risk factors for surgical site infections and to quantify the contribution of independent risk factors to the probability of developing infection after definitive fixation of tibial plateau fractures in adult patients. A retrospective analysis was performed at a level I trauma center between January 2004 and December 2010. Data were collected from a review of the patient's electronic medical records. A total of 251 consecutive patients (256 cases) were divided into two groups, those with surgical site infections and those without surgical site infections. Preoperative and perioperative variables were compared between these groups, and risk factors were determined by univariate analyses and multivariate logistic regression. Variables analyzed included age, gender, smoking history, diabetes, presence of an open fracture, presence of compartment syndrome, Schatzker classification, polytrauma status, ICU stay, time from injury to surgery, use of temporary external fixation, surgical approach, surgical fixation, operative time, and use of a drain. The overall rate of surgical site infection after ORIF of tibial plateau fractures during the 7 years of this study was 7.8% (20 of 256). The most common causative pathogens was Staphylococcus aureus (n=15, 75%). Independent predictors of surgical site infection identified by multivariate analyses were open tibial plateau fracture (odds ratio=3.9; 95% CI=1.3-11.6; p=0.015) and operative time (odds ratio=2.7; 95% CI=1.6-4.4; psite infection. Both open fracture and operative time are independent risks factors for postoperative infection.

  3. Open active cloaking and illusion devices for the Laplace equation

    International Nuclear Information System (INIS)

    Ma, Qian; Yang, Fan; Jin, Tian Yu; Mei, Zhong Lei; Cui, Tie Jun

    2016-01-01

    We propose open active cloaking and illusion devices for the Laplace equation. Compared with the closed configurations of active cloaking and illusion devices, we focus on improving the distribution schemes for the controlled sources, which do not have to surround the protected object strictly. Instead, the controlled sources can be placed in several small discrete clusters, and produce the desired voltages along the controlled boundary, to actively hide or disguise the protected object. Numerical simulations are performed with satisfactory results, which are further validated by experimental measurements. The open cloaking and illusion devices have many advantages over the closed configurations in various potential applications. (paper)

  4. Use of an Open-path FTIR sensor to measure VOCs at the Hanford Site

    International Nuclear Information System (INIS)

    Kagann, R.H.; Fancher, J.D.; Tomich, S.D.

    1994-01-01

    An Open-path Fourier Transform Infrared (OP-FTIR) instrument was used to measure carbo tetrachloride vapor emitted from contaminated soil and monitoring wells in the 200 West Area of the Hanford Site in southeastern Washington State (see Figure 1). Historical activities at US Department of Energy (DOE) facilities around the United States during World War II, including development of a nuclear deterrent, resulted in the discharge of chemical and radioactive materials to the environment. Beginning in 1955, carbon tetrachloride and other liquid wastes were released to the subsurface along with cocontaminants to three liquid waste disposal facilities. The DOE has now focused a major technical effort on the mitigation of the effects of those discharges through an environmental restoration program. The OP-FTIR was used over the soil surface near the 216-Z-9 Trench (one of the disposal facilities) in the 200 West Area. The Hanford demonstration of the OP-FTIR was conducted as part of the Volatile Organic Compound-Arid Integrated Demonstration (VOC-Arid ID), which is funded by the US Department of Energy, Office of Technology Development. The mission of the VOC-Arid ID is to identify, develop, and demonstrate new and innovative technologies to support environmental restoration

  5. French Customs office - Prévessin site: New opening times

    CERN Multimedia

    Relations with the Host States Service

    2005-01-01

    Please note the following new opening times for CERN's on-site French Customs office (Building 904): From Monday to Thursday: 8:15 - 12:15 / 13:30 - 17:30 Fridays: 8:15 - 12:15 / 13:30 - 16:00 The new opening times will apply as of 1 March 2005. For further information, please call 75618 or send an e-mail to Douane.Francaise@cern.ch Relations with the Host States Service http://www.cern.ch/relations/ Tel. 72848

  6. Active site mutations change the cleavage specificity of neprilysin.

    Directory of Open Access Journals (Sweden)

    Travis Sexton

    Full Text Available Neprilysin (NEP, a member of the M13 subgroup of the zinc-dependent endopeptidase family is a membrane bound peptidase capable of cleaving a variety of physiological peptides. We have generated a series of neprilysin variants containing mutations at either one of two active site residues, Phe(563 and Ser(546. Among the mutants studied in detail we observed changes in their activity towards leucine(5-enkephalin, insulin B chain, and amyloid β(1-40. For example, NEP(F563I displayed an increase in preference towards cleaving leucine(5-enkephalin relative to insulin B chain, while mutant NEP(S546E was less discriminating than neprilysin. Mutants NEP(F563L and NEP(S546E exhibit different cleavage site preferences than neprilysin with insulin B chain and amyloid ß(1-40 as substrates. These data indicate that it is possible to alter the cleavage site specificity of neprilysin opening the way for the development of substrate specific or substrate exclusive forms of the enzyme with enhanced therapeutic potential.

  7. Effect of water availability in opening containers of breeding site on Aedes aegypti life cycle

    Science.gov (United States)

    Tokachil, Najir; Yusoff, Nuraini; Saaid, Alif; Appandi, Najwa; Harun, Farhana

    2017-11-01

    The distribution of rainfall is one of the factors which contribute to the development of Aedes aegypti life cycle. The fluctuation of rainfall might influence the acceleration of Aedes aegypti growth by providing sufficient breeding sites. In this research, the availability of water in an opening container of the breeding site is considered as a significant variable which affects the distinct stages structure in mosquito life cycle which egg, larva, pupa, and adult. A stage-structured Lefkovitch matrix model was used by considering the quantity of water contains in an opening container and life cycle of Aedes aegypti. The maximum depth of water in the container was also taken into account in order to find the time duration of mosquito life cycle to complete. We found that the maximum depth of water availability in mosquito breeding site influenced the abundance of the mosquito population. Hence, the containers are filled with sufficient water be able to stand from hot temperature for several days before drying out might continue to provide mosquito breeding site. In the future, it is recommended to consider other factors which affect the quantity of water in mosquito breeding sites such as heavy rain and wind blows.

  8. Closure of the tunnel linking the CERN sites | Exceptional opening of Gate E

    CERN Multimedia

    GS-IS

    2013-01-01

    The tunnel linking the CERN sites will be closed to traffic from 19 to 26 July inclusive for the installation of an access system using number-plate recognition.   During this period, Gate E will be open, exceptionally, in both directions from Monday until Friday from 7.00 a.m. to 7.00 p.m. under the same access conditions as for the tunnel linking the CERN sites, laid down in the following document: http://hoststates.web.cern.ch/hoststates/documents/8200980415.pdf.

  9. How social Q&A sites are changing knowledge sharing in open source software communities

    NARCIS (Netherlands)

    Vasilescu, B.N.; Serebrenik, A.; Devanbu, P.; Filkov, V.

    2014-01-01

    Historically, mailing lists have been the preferred means for coordinating development and user support activities. With the emergence and popularity growth of social Q&A sites such as the StackExchange network (e.g., StackOverflow), this is beginning to change. Such sites offer different

  10. Open innovations, innovation communities and firm's innovative activities

    Directory of Open Access Journals (Sweden)

    Getejanc Vesna

    2016-01-01

    Full Text Available The open innovation paradigm emphasizes the fact that firms can improve their performance by opening their business models and reduce their R&D costs by effective incorporation of external knowledge. In other words, companies are able to capture value through knowledge that exists outside the boundaries of their organization. The shift from closed to open model of innovation has imposed the necessity to adopt more open approach to innovation within traditional academic view of business strategy. The adoption of this innovative approach is emphasized even more, by the necessity for stronger connection and cooperation among the participants of the innovation process. Free will and collaboration are the main characteristics of open source software, which is recognized in literature as the role model of open innovation and is a rapidly growing method of technology development. Furthermore, innovative communities represent a great opportunity for improvement of the companies' innovation activities, since they have become an important source for identifying the needs and problems of the users. Their development has been fostered by information technologies and recent social changes in user behavior. Recognizing and better understanding the motivation of the members of the innovation communities that guide them to participate in the process of idea generation, can have significant influence on their incorporation within the innovation process. Equally important is to define the incentives that are suited for stimulating and fostering innovative user activities. Taking this topic in consideration, the purpose of this article is to address the following questions: In what way does the collaboration in open source software projects have positive effect on companies' innovation performance? What are the innovation communities and how can companies establish successful interaction with them? Why does the interaction with innovation communities lead to

  11. Active serine involved in the stabilization of the active site loop in the Humicola lanuginosa lipase

    DEFF Research Database (Denmark)

    Peters, Günther H.j.; Svendsen, A.; Langberg, H.

    1998-01-01

    We have investigated the binding properties of and dynamics in Humicola lanuginosa lipase (HII) and the inactive mutant S146A (active Ser146 substituted with Ala) using fluorescence spectroscopy and molecular dynamics simulations, respectively. Hll and S146A show significantly different binding......, whereas only small changes are observed for I-Ill suggesting that the active site Lid in the latter opens more easily and hence more lipase molecules are bound to the liposomes. These observations are in agreement with molecular dynamics simulations and subsequent essential dynamics analyses. The results...... to substantial conformational alterations in the H. lanuginosa Lipase and different binding affinities....

  12. Learning, Learning Analytics, Activity Visualisation and Open learner Model

    DEFF Research Database (Denmark)

    Bull, Susan; Kickmeier-Rust, Michael; Vatrapu, Ravi

    2013-01-01

    This paper draws on visualisation approaches in learning analytics, considering how classroom visualisations can come together in practice. We suggest an open learner model in situations where many tools and activity visualisations produce more visual information than can be readily interpreted....

  13. Effects of nutmeg consumption on the open field locomotor activities ...

    African Journals Online (AJOL)

    ... was a steady significant difference (p < 0.05) in the behaviours of line crossing and walling. There was no much significant changes (P<0.05) in the behaviours of hinding, grooming and defeacation between the Treatments and Control groups of animals. Keywords: Nutmeg, Wistar rats, Open field, Locomotor activities ...

  14. Determination of antenna factors using a three-antenna method at open-field test site

    Science.gov (United States)

    Masuzawa, Hiroshi; Tejima, Teruo; Harima, Katsushige; Morikawa, Takao

    1992-09-01

    Recently NIST has used the three-antenna method for calibration of the antenna factor of an antenna used for EMI measurements. This method does not require the specially designed standard antennas which are necessary in the standard field method or the standard antenna method, and can be used at an open-field test site. This paper theoretically and experimentally examines the measurement errors of this method and evaluates the precision of the antenna-factor calibration. It is found that the main source of the error is the non-ideal propagation characteristics of the test site, which should therefore be measured before the calibration. The precision of the antenna-factor calibration at the test site used in these experiments, is estimated to be 0.5 dB.

  15. Predictors of surgical site infection in laparoscopic and open ventral incisional herniorrhaphy.

    Science.gov (United States)

    Kaafarani, Haytham M A; Kaufman, Derrick; Reda, Domenic; Itani, Kamal M F

    2010-10-01

    Surgical site infection (SSI) after ventral incisional hernia repair (VIH) can result in serious consequences. We sought to identify patient, procedure, and/or hernia characteristics that are associated with SSI in VIH. Between 2004 and 2006, patients were randomized in four Veteran Affairs (VA) hospitals to undergo laparoscopic or open VIH. Patients who developed SSI within eight weeks postoperatively were compared to those who did not. A bivariate analysis for each factor and a multiple logistic regression analysis were performed to determine factors associated with SSI. The variables studied included patient characteristics and co-morbidities (e.g., age, gender, race, ethnicity, body mass index, ASA classification, diabetes, steroid use), hernia characteristics (e.g., size, duration, number of previous incisions), procedure characteristics (e.g., open versus laparoscopic, blood loss, use of postoperative drains, operating room temperature) and surgeons' experience (resident training level, number of open VIH previously performed by the attending surgeon). Antibiotic prophylaxis, anticoagulation protocols, preparation of the skin, draping of the wound, body temperature control, and closure of the surgical site were all standardized and monitored throughout the study period. Out of 145 patients who underwent VIH, 21 developed a SSI (14.5%). Patients who underwent open VIH had significantly more SSIs than those who underwent laparoscopic VIH (22.1% versus 3.4%; P = 0.002). Among patients who underwent open VIH, those who developed SSI had a recorded intraoperative blood loss greater than 25 mL (68.4% versus 40.3%; P = 0.030), were more likely to have a drain placed (79.0% versus 49.3%; P = 0.021) and were more likey to be operated on by surgeons with less than 75 open VIH case experience (52.6% versus 28.4%; P = 0.048). Patient and hernia characteristics were similar between the two groups. In a multiple logistic regression analysis, the open surgical technique was

  16. Maxey Flats low-level waste disposal site closure activities

    International Nuclear Information System (INIS)

    Haight, C.P.; Mills, D.; Razor, J.E.

    1987-01-01

    The Maxey Flats Radioactive Waste Disposal Facility in Fleming County, Kentucky is in the process of being closed. The facility opened for commercial business in the spring of 1963 and received approximately 4.75 million cubic feet of radioactive waste by the time it was closed in December of 1977. During fourteen years of operation approximately 2.5 million curies of by-product material, 240,000 kilograms of source material, and 430 kilograms of special nuclear material were disposed. The Commonwealth purchased the lease hold estate and rights in May 1978 from the operating company. This action was taken to stabilize the facility and prepare it for closure consisting of passive care and monitoring. To prepare the site for closure, a number of remedial activities had to be performed. The remediation activities implemented have included erosion control, surface drainage modifications, installation of a temporary plastic surface cover, leachate removal, analysis, treatment and evaporation, US DOE funded evaporator concentrates solidification project and their on-site disposal in an improved disposal trench with enhanced cover for use in a humid environment situated in a fractured geology, performance evaluation of a grout injection demonstration, USGS subsurface geologic investigation, development of conceptual closure designs, and finally being added to the US EPA National Priority List for remediation and closure under Superfund. 13 references, 3 figures

  17. OC ToGo: bed site image integration into OpenClinica with mobile devices

    Science.gov (United States)

    Haak, Daniel; Gehlen, Johan; Jonas, Stephan; Deserno, Thomas M.

    2014-03-01

    Imaging and image-based measurements nowadays play an essential role in controlled clinical trials, but electronic data capture (EDC) systems insufficiently support integration of captured images by mobile devices (e.g. smartphones and tablets). The web application OpenClinica has established as one of the world's leading EDC systems and is used to collect, manage and store data of clinical trials in electronic case report forms (eCRFs). In this paper, we present a mobile application for instantaneous integration of images into OpenClinica directly during examination on patient's bed site. The communication between the Android application and OpenClinica is based on the simple object access protocol (SOAP) and representational state transfer (REST) web services for metadata, and secure file transfer protocol (SFTP) for image transfer, respectively. OpenClinica's web services are used to query context information (e.g. existing studies, events and subjects) and to import data into the eCRF, as well as export of eCRF metadata and structural information. A stable image transfer is ensured and progress information (e.g. remaining time) visualized to the user. The workflow is demonstrated for a European multi-center registry, where patients with calciphylaxis disease are included. Our approach improves the EDC workflow, saves time, and reduces costs. Furthermore, data privacy is enhanced, since storage of private health data on the imaging devices becomes obsolete.

  18. The Transcription Bubble of the RNA Polymerase-Promoter Open Complex Exhibits Conformational Heterogeneity and Millisecond-Scale Dynamics : Implications for Transcription Start-Site Selection

    NARCIS (Netherlands)

    Robb, Nicole C.; Cordes, Thorben; Hwang, Ling Chin; Gryte, Kristofer; Duchi, Diego; Craggs, Timothy D.; Santoso, Yusdi; Weiss, Shimon; Ebright, Richard H.; Kapanidis, Achillefs N.

    2013-01-01

    Bacterial transcription is initiated after RNA polymerase (RNAP) binds to promoter DNA, melts similar to 14 bp around the transcription start site and forms a single-stranded "transcription bubble" within a catalytically active RNAP-DNA open complex (RPo). There is significant flexibility in the

  19. A will of dialogue and openness. ANDRA's activity report 2008

    International Nuclear Information System (INIS)

    2008-01-01

    After an interview with the ANDRA's CEO and a brief presentation of some figures about the ANDRA's personnel, this report reviews the activities of the French national Agency for radioactive waste management (ANDRA): search for a site for a storage centre for low-level long-life wastes, the contract signed between ANDRA and the French State to define operational objectives and activities for the next four years, a survey on the collecting of wastes from small producers, activity of decontamination of polluted sites, safety investigation on the Manche's storage centre, control of the environmental impact of the Aube's storage centre, storage centre project for low-level long-life wastes, geological studies for the storage centre project for high-and-intermediate long-life wastes, a price received for the ANDRA's underground laboratory, and international activities

  20. Knowledge Base, Exporting Activities, Innovation Openness and Innovation Performance

    OpenAIRE

    Spyros Arvanitis; Areti Gkypali; Kostas Tsekouras

    2014-01-01

    In this paper we demonstrate the complexity that regulates the innovation-exports nexus. In particular we argue that innovation and exports should be treated as latent variables in order to account for as many facets possible thus, accounting for multifaceted heterogeneity. In this context, the role of innovation openness ought to be highlighted within a unified framework, as it is considered an additional activity of firms’ knowledge creation strategy. In this line, innovation and exporting ...

  1. Landscapes, depositional environments and human occupation at Middle Paleolithic open-air sites in the southern Levant, with new insights from Nesher Ramla, Israel

    Science.gov (United States)

    Zaidner, Yossi; Frumkin, Amos; Friesem, David; Tsatskin, Alexander; Shahack-Gross, Ruth

    2016-04-01

    Middle Paleolithic human occupation in the Levant (250-50 ka ago) has been recorded in roofed (cave and rockshelter) and open-air sites. Research at these different types of sites yielded different perspectives on the Middle Paleolithic human behavior and evolution. Until recently, open-air Middle Paleolithic sites in the Levant were found in three major sedimentary environments: fluvial, lake-margin and spring. Here we describe a unique depositional environment and formation processes at the recently discovered open-air site of Nesher Ramla (Israel) and discuss their contribution to understanding site formation processes in open-air sites in the Levant. The site is 8-m-thick Middle Paleolithic sequence (OSL dated to 170-80 ka) that is located in a karst sinkhole formed by gravitational deformation and sagging into underground voids. The sedimentary sequence was shaped by gravitational collapse, cyclic colluviation of soil and gravel into the depression, waterlogging, in situ pedogenesis and human occupation. Original bedding and combustion features are well-preserved in the Lower archaeological sequence, a rare occurrence in comparison to other open-air archaeological sites. This phenomenon coincides with episodes of fast sedimentation/burial, which also allowed better preservation of microscopic remains such as ash. The Upper archaeological sequence does not exhibit bedding or preservation of ash, despite presence of heat-affected lithic artifacts, which makes it similar to other open-air sites in the Levant. We suggest that rate of burial is the major factor that caused the difference between the Upper and Lower sequences. The differences in the burial rate may be connected to environmental and vegetation changes at the end of MIS 6. We also identified an interplay between sediment in-wash and density of human activity remains, i.e. during episodes of low natural sediment input the density of artifacts is higher relative to episodes with high rate of sediment in

  2. Development of METAL-ACTIVE SITE and ZINCCLUSTER tool to predict active site pockets.

    Science.gov (United States)

    Ajitha, M; Sundar, K; Arul Mugilan, S; Arumugam, S

    2018-03-01

    The advent of whole genome sequencing leads to increasing number of proteins with known amino acid sequences. Despite many efforts, the number of proteins with resolved three dimensional structures is still low. One of the challenging tasks the structural biologists face is the prediction of the interaction of metal ion with any protein for which the structure is unknown. Based on the information available in Protein Data Bank, a site (METALACTIVE INTERACTION) has been generated which displays information for significant high preferential and low-preferential combination of endogenous ligands for 49 metal ions. User can also gain information about the residues present in the first and second coordination sphere as it plays a major role in maintaining the structure and function of metalloproteins in biological system. In this paper, a novel computational tool (ZINCCLUSTER) is developed, which can predict the zinc metal binding sites of proteins even if only the primary sequence is known. The purpose of this tool is to predict the active site cluster of an uncharacterized protein based on its primary sequence or a 3D structure. The tool can predict amino acids interacting with a metal or vice versa. This tool is based on the occurrence of significant triplets and it is tested to have higher prediction accuracy when compared to that of other available techniques. © 2017 Wiley Periodicals, Inc.

  3. Savannah River Site prioritization of transition activities

    International Nuclear Information System (INIS)

    Finley, R.H.

    1993-11-01

    Effective management of SRS conversion from primarily a production facility to other missions (or Decontamination and Decommissioning (D ampersand D)) requires a systematic and consistent method of prioritizing the transition activities. This report discusses the design of a prioritizing method developed to achieve systematic and consistent methods of prioritizing these activities

  4. Safety Oversight of Decommissioning Activities at DOE Nuclear Sites

    International Nuclear Information System (INIS)

    Zull, Lawrence M.; Yeniscavich, William

    2008-01-01

    The Defense Nuclear Facilities Safety Board (Board) is an independent federal agency established by Congress in 1988 to provide nuclear safety oversight of activities at U.S. Department of Energy (DOE) defense nuclear facilities. The activities under the Board's jurisdiction include the design, construction, startup, operation, and decommissioning of defense nuclear facilities at DOE sites. This paper reviews the Board's safety oversight of decommissioning activities at DOE sites, identifies the safety problems observed, and discusses Board initiatives to improve the safety of decommissioning activities at DOE sites. The decommissioning of former defense nuclear facilities has reduced the risk of radioactive material contamination and exposure to the public and site workers. In general, efforts to perform decommissioning work at DOE defense nuclear sites have been successful, and contractors performing decommissioning work have a good safety record. Decommissioning activities have recently been completed at sites identified for closure, including the Rocky Flats Environmental Technology Site, the Fernald Closure Project, and the Miamisburg Closure Project (the Mound site). The Rocky Flats and Fernald sites, which produced plutonium parts and uranium materials for defense needs (respectively), have been turned into wildlife refuges. The Mound site, which performed R and D activities on nuclear materials, has been converted into an industrial and technology park called the Mound Advanced Technology Center. The DOE Office of Legacy Management is responsible for the long term stewardship of these former EM sites. The Board has reviewed many decommissioning activities, and noted that there are valuable lessons learned that can benefit both DOE and the contractor. As part of its ongoing safety oversight responsibilities, the Board and its staff will continue to review the safety of DOE and contractor decommissioning activities at DOE defense nuclear sites

  5. Evapotranspiration from marsh and open-water sites at Upper Klamath Lake, Oregon, 2008--2010

    Science.gov (United States)

    Stannard, David I.; Gannett, Marshall W.; Polette, Danial J.; Cameron, Jason M.; Waibel, M. Scott; Spears, J. Mark

    2013-01-01

    Water allocation in the Upper Klamath Basin has become difficult in recent years due to the increase in occurrence of drought coupled with continued high water demand. Upper Klamath Lake is a central component of water distribution, supplying water downstream to the Klamath River, supplying water for irrigation diversions, and providing habitat for various species within the lake and surrounding wetlands. Evapotranspiration (ET) is a major component of the hydrologic budget of the lake and wetlands, and yet estimates of ET have been elusive—quantified only as part of a lumped term including other substantial water-budget components. To improve understanding of ET losses from the lake and wetlands, measurements of ET were made from May 2008 through September 2010. The eddy-covariance method was used to monitor ET at two wetland sites continuously during this study period and the Bowen-ratio energy-balance method was used to monitor open-water lake evaporation at two sites during the warmer months of the 3 study years. Vegetation at one wetland site (the bulrush site) consists of a virtual monoculture of hardstem bulrush (formerly Scirpus acutus, now Schoenoplectus acutus), and at the other site (the mixed site) consists of a mix of about 70 percent bulrush, 15 percent cattail (Typha latifolia), and 15 percent wocus (Nuphar polysepalum). Measured ET at these two sites was very similar (means were ±2.5 percent) and mean wetland ET is computed as a 70 to 30 percent weighted average of the bulrush and mixed sites, respectively, based on community-type distribution estimated from satellite imagery. Biweekly means of wetland ET typically vary from maximum values of around 6 to 7 millimeters per day during midsummer, to minimum values of less than 1 mm/d during midwinter. This strong annual signal primarily reflects life-cycle changes in the wetland vegetation, and the annual variation of radiative input to the surface and resulting temperature. The perennial vegetation

  6. Radiation balances of melting snow covers at an open site in the Central Sierra Nevada, California

    International Nuclear Information System (INIS)

    Aguado, E.

    1985-01-01

    The radiation balances of melting snow packs for three seasons at an open site at the Central Sierra Snow Laboratory near Soda Springs, California were examined. The snow covers were examples of below-normal, near-normal and much-above-normal water equivalents. Two of the snow covers melted under generally clear skies in late spring while the other melted under cloudier conditions and at a time when less extraterrestrial radiation was available. Moreover, the snow covers were of very different densities, thereby allowing examination of a possible relationship between that characteristic and albedo. No such relationship was observed. Despite the dissimilarities in the conditions under which melt occurred, the disposition of solar radiation was similar for the three melt seasons. Albedos and their rates of decline through the melt season were similar for the three seasons. Absorbed solar radiation and a cloudiness index were useful predictors for daily net radiation, accounting for 71% of the total variance. (author)

  7. OPEN SPATIAL DECISION SUPPORT SYSTEM: CASE FOR RADIOACTIVE WASTE DISPOSAL SITE SELECTION

    Directory of Open Access Journals (Sweden)

    Dario Perković

    2012-07-01

    Full Text Available In recent years the scientific and professional circles frequently discussed about radioactive waste and site selection for radioactive waste disposal. This issue will be further updated with accession of Republic of Croatia to the European Union and the only issue is politicized view of the fact that nuclear power plant Krško Croatia shares with neighbouring Republic of Slovenia. All the necessary studies have been made and these are attended by experts from different areas. Also, all Croatian residents should be familiar with this subject matter in a manner accessible to the general public through all available media. There are some questions: What are the institutions have taken on the issue of informing the public and can it be enough? When selecting a suitable site, with many parameters, the basic element is suitable geological formation, although the landfill must be socially acceptable. Well established methods used in the selection of eligible areas are multicriteria decision analysis (MCDA, geographic information system (GIS and combined GIS-MCDA method. The application of these methods is of great help in making decisions about the location of disposal of radioactive waste. Presentation of results, designed in the form of an open spatial decision support system, could help in education and informing the general public (the paper is published in Croatian.

  8. Robotics at Savannah River site: activity report

    International Nuclear Information System (INIS)

    Byrd, J.S.

    1984-09-01

    The objectives of the Robotics Technology Group at the Savannah River Laboratory are to employ modern industrial robots and to develop unique automation and robotic systems to enhance process operations at the Savannah River site (SRP and SRL). The incentives are to improve safety, reduce personnel radiation exposure, improve product quality and productivity, and to reduce operating costs. During the past year robotic systems have been installed to fill chemical dilution vials in a SRP laboratory at 772-F and remove radioactive waste materials in the SRL Californium Production Facility at 773-A. A robotic system to lubricate an extrusion press has been developed and demonstrated in the SRL robotics laboratory and is scheduled for installation at the 321-M fuel fabrication area. A mobile robot was employed by SRP for a radiation monitoring task at a waste tank top in H-Area. Several other robots are installed in the SRL robotics laboratories and application development programs are underway. The status of these applications is presented in this report

  9. Active sites environmental monitoring Program - Program Plan: Revision 2

    International Nuclear Information System (INIS)

    Morrissey, C.M.; Hicks, D.S.; Ashwood, T.L.; Cunningham, G.R.

    1994-05-01

    The Active Sites Environmental Monitoring Program (ASEMP), initiated in 1989, provides early detection and performance monitoring of active low-level-waste (LLW) and transuranic (TRU) waste facilities at Oak Ridge National Laboratory (ORNL). Several changes have recently occurred in regard to the sites that are currently used for waste storage and disposal. These changes require a second set of revisions to the ASEMP program plan. This document incorporates those revisions. This program plan presents the organization and procedures for monitoring the active sites. The program plan also provides internal reporting levels to guide the evaluation of monitoring results

  10. Tritium activities in selected wells on the Nevada Test Site

    International Nuclear Information System (INIS)

    Lyles, B.F.

    1993-05-01

    Literature and data were reviewed related to radionuclides in groundwater on and near the Nevada Test Site. No elevated tritium activities have been reported outside of the major testing regions of the Nevada Test Site. Three wells were identified as having water with above-background (>50 pCi/l) tritium activities: UE-15d Water Well; USGS Water Well A; and USGS Test Well B Ex. Although none of these wells have tritium activities greater than the Nevada State Drinking Water standard (20,000 pCi/l), their time-series tritium trends may be indicative to potential on-site radionuclide migration

  11. Seismic design of circular-section concrete-lined underground openings: Preclosure performance considerations for the Yucca Mountain Site

    International Nuclear Information System (INIS)

    Richardson, A.M.; Blejwas, T.E.

    1992-01-01

    Yucca Mountain, the potential site of a repository for high-level radioactive waste, is situated in a region of natural and man-made seismicity. Underground openings excavated at this site must be designed for worker safety in the seismic environment anticipated for the preclosure period. This includes accesses developed for site characterization regardless of the ultimate outcome of the repository siting process. Experience with both civil and mining structures has shown that underground openings are much more resistant to seismic effects than surface structures, and that even severe dynamic strains can usually be accommodated with proper design. This paper discusses the design and performance of lined openings in the seismic environment of the potential site. The types and ranges of possible ground motions (seismic loads) are briefly discussed. Relevant historical records of underground opening performance during seismic loading are reviewed. Simple analytical methods of predicting liner performance under combined in situ, thermal, and seismic loading are presented, and results of calculations are discussed in the context of realistic performance requirements for concrete-lined openings for the preclosure period. Design features that will enhance liner stability and mitigate the impact of the potential seismic load are reviewed. The paper is limited to preclosure performance concerns involving worker safety because present decommissioning plans specify maintaining the option for liner removal at seal locations, thus decoupling liner design from repository postclosure performance issues

  12. Operational and research activities of Tsing Hua open pool reactor

    International Nuclear Information System (INIS)

    Wang, T.-K.; Tseng, D.-L.; Chou, H.-P.; Onyang Minsun

    1988-01-01

    Tsing Hua Open Pool Reaction (THOR) is the first nuclear reactor to become operational in Taiwan. It reached its first critical on April 13, 1961. Until now, THOR has been operated successfully for 27 years. The major missions of THOR include radioisotope production, neutron activation analysis, nuclear science and engineering researches, education, and personnel training. The THOR was originally loaded with HEU MTR-type fuels. A gradual fuel replacing program using LEU TRIGA fuel to replace MTR started in 1977. By 1987, THOR was loaded with all TRIGA fuels. This paper gives a brief history of THOR, its current status, the core conversion work, some selected research topics, and its improvement plan. (author)

  13. Active site - a site of binding of affinity inhibitors in baker's yeast inorganic pyrophosphatase

    International Nuclear Information System (INIS)

    Svyato, I.E.; Sklyankina, V.A.; Avaeva, S.M.

    1986-01-01

    The interaction of the enzyme-substrate complex with methyl phosphate, O-phosphoethanolamine, O-phosphopropanolamine, N-acetylphosphoserine, and phosphoglyolic acid, as well as pyrophosphatase, modified by monoesters of phosphoric acid, with pyrophosphate and tripolyphosphate, was investigated. It was shown that the enzyme containing the substrate in the active site does not react with monophosphates, but modified pyrophosphatase entirely retains the ability to bind polyanions to the regulatory site. It is concluded that the inactivation of baker's yeast inorganic pyrophosphatase by monoesters of phosphoric acid, which are affinity inhibitors of it, is the result of modification of the active site of the enzyme

  14. Open-path, closed-path and reconstructed aerosol extinction at a rural site.

    Science.gov (United States)

    Gordon, Timothy D; Prenni, Anthony J; Renfro, James R; McClure, Ethan; Hicks, Bill; Onasch, Timothy B; Freedman, Andrew; McMeeking, Gavin R; Chen, Ping

    2018-04-09

    The Handix Scientific Open-Path Cavity Ringdown Spectrometer (OPCRDS) was deployed during summer 2016 in Great Smoky Mountains National Park (GRSM). Extinction coefficients from the relatively new OPCRDS and from a more well-established extinction instrument agreed to within 7%. Aerosol hygroscopic growth (f(RH)) was calculated from the ratio of ambient extinction measured by the OPCRDS to dry extinction measured by a closed-path extinction monitor (Aerodyne's Cavity Attenuated Phase Shift Particulate Matter Extinction Monitor, CAPS PMex). Derived hygroscopicity (RH 1995 at the same site and time of year, which is noteworthy given the decreasing trend for organics and sulfate in the eastern U.S. However, maximum f(RH) values in 1995 were less than half as large as those recorded in 2016-possibly due to nephelometer truncation losses in 1995. Two hygroscopicity parameterizations were investigated using high time resolution OPCRDS+CAPS PMex data, and the K ext model was more accurate than the γ model. Data from the two ambient optical instruments, the OPCRDS and the open-path nephelometer, generally agreed; however, significant discrepancies between ambient scattering and extinction were observed, apparently driven by a combination of hygroscopic growth effects, which tend to increase nephelometer truncation losses and decrease sensitivity to the wavelength difference between the two instruments as a function of particle size. There was not a statistically significant difference in the mean reconstructed extinction values obtained from the original and the revised IMPROVE (Interagency Monitoring of Protected Visual Environments) equations. On average IMPROVE reconstructed extinction was ~25% lower than extinction measured by the OPCRDS, which suggests that the IMPROVE equations and 24-hr aerosol data are moderately successful in estimating current haze levels at GRSM. However, this conclusion is limited by the coarse temporal resolution and the low dynamic range of

  15. Understanding hydrogen sorption in a metal-organic framework with open-metal sites and amide functional groups

    KAUST Repository

    Pham, Tony T.

    2013-05-09

    /catalytic sites and characteristics through the active interplay of theory and experiment. The ability of accurate, carefully parametrized and transferable force fields to model and predict small molecule sorption in MOFs, even including open-metal sites, is demonstrated. © 2013 American Chemical Society.

  16. Characterization of Site for Installing Open Loop Ground Source Heat Pump System

    Science.gov (United States)

    Yun, S. W.; Park, Y.; Lee, J. Y.; Yi, M. J.; Cha, J. H.

    2014-12-01

    This study was conducted to understand hydrogeological properties of site where open loop ground source heat pump system will be installed and operated. Groundwater level and water temperature were hourly measured at the well developed for usage of open loop ground source heat pump system from 11 October 2013 to 8 January 2014. Groundwater was sampled in January and August 2013 and its chemical and isotopic compositions were analyzed. The bedrock of study area is the Jurassic granodiorite that mainly consists of quartz (27.9 to 46.8%), plagioclase (26.0 to 45.5%), and alkali feldspar (9.5 to 18.7%). The groundwater level ranged from 68.30 to 68.94 m (above mean sea level). Recharge rate was estimated using modified watertable fluctuation method and the recharge ratios was 9.1%. The water temperature ranged from 14.8 to 15.0oC. The vertical Increase rates of water temperature were 1.91 to 1.94/100 m. The water temperature showed the significant seasonal variation above 50 m depth, but had constant value below 50 m depth. Therefore, heat energy of the groundwater can be used securely in open loop ground source heat pump system. Electrical conductivity ranged from 120 to 320 µS/cm in dry season and from 133 to 310 µS/cm in wet season. The electrical conductivity gradually decreased with depth. In particular, electrical conductivity in approximately 30 m depth decreased dramatically (287 to 249 µS/cm) in wet season. The groundwater was Ca-HCO3 type. The concentrations of dissolved components did not show the vertically significant variations from 0 to 250 m depth. The δ18O and δD ranged from -9.5 to -9.4‰ and from -69 to -68‰. This work is supported by the New and Renewable Energy of the Korea Institute of Energy Technology Evaluation and Planning (KETEP) grant funded by the Korea government Ministry of Knowledge Economy (No.20123040110010).

  17. Sternoe study site. Scope of activities and main results

    International Nuclear Information System (INIS)

    Ahlbom, K.; Andersson, J.E.; Nordqvist, R.; Tiren, S.; Ljunggren, C.; Voss, C.

    1992-01-01

    During the period from 1977-1986 SKB (Swedish Nuclear Fuel and Waste Management Co) performed surface and borehole investigations of 14 study sites for the purpose of assessing their suitability for a repository of spent nuclear fuel. The next phase in the SKB site selection programme will be to perform detailed characterization, including characterization from shafts and/or tunnels, of two or three sites. The detailed investigations will continue over several years to provide all the data needed for a licensing application to build a repository. Such an application is foreseen to be given to the authorities around the year 2003. It is presently not clear if anyone of the previously investigated study sites will be selected as a site for detailed characterization. Other sites with geological and/or socio-economical characteristics judged more favourable may very well be the ones selected. However, as a part of the background documentation needed for the site selection studies to come, summary reports will be prepared for most study sites. These reports will include scope of activities, main results, uncertainties and need of complementary investigations. This report concerns the Sternoe study site. This site was one of the first sites to be investigated by SKB . The studies at Sternoe were made under severe time-constraints and with prototype borehole instrumentations. These limitations should be kept in mind when reading the report. (41 refs., 16 figs., 12 tabs.) (au)

  18. Nuclear waste: Status of DOE's nuclear waste site characterization activities

    International Nuclear Information System (INIS)

    1987-01-01

    Three potential nuclear waste repository sites have been selected to carry out characterization activities-the detailed geological testing to determine the suitability of each site as a repository. The sites are Hanford in south-central Washington State, Yucca Mountain in southern Nevada, and Deaf Smith in the Texas Panhandle. Two key issues affecting the total program are the estimations of the site characterization completion data and costs and DOE's relationship with the Nuclear Regulatory Commission which has been limited and its relations with affected states and Indian tribes which continue to be difficult

  19. A system of innovation to activate practices on open data: The Open4Citizens project

    DEFF Research Database (Denmark)

    Morelli, Nicola; Götzen, Amalia De; Simeone, Luca

    2018-01-01

    The increasing production of data is encouraging government institutions to consider the potential of open data as a public resource and to publish a large number of public datasets. This is configuring a new scenario in which open data are likely to play an important role for democracy...... and transparen-cy and for new innovation possibilities, in relation to the creation of a new generation of public services based on open data. In this context, though, it is possible to observe an asymmetry between the supply side of open data and the demand side. While more and more insti-tutions are producing...... and publishing data, there is no public awareness of the way in which such data can be used, nor is there a diffuse practice to work with those data. The definition of a practice for a large use of data is the aim of the Open4Citizens project, which promoted initiatives at different levels: at the level...

  20. Klipperaas study site. Scope of activities and main results

    International Nuclear Information System (INIS)

    Ahlbom, K.; Andersson, J.E.; Andersson, Peter; Ittner, T.; Tiren, S.; Ljunggren, C.

    1992-09-01

    During the period from 1977 - 1986 SKB (Swedish Nuclear Fuel and Waste Management Co.) performed surface and borehole investigations of 14 study sites for the purpose of assessing their suitability for a repository of spent nuclear fuel. The next phase in the SKB site selection rpogramme will be to perform detailed characterisation, including characterization from shafts and/or tunnels, of two or three sites. The detailed investigations will continue over several years to provide all the data needed for a licensing application to build a repository. Such an application is foreseen to be given to the authorities around the year 2003. It is presently not clear if any of the study sites will be selected as a site for detailed characterization. Other sites with geological and/or socio-economical characteristics judged more favorable may very well be the ones selected. However, as a part of the background documentation needed for the site selection studies to come, summary reports will be prepared for most study sites. These reports will include scope of activities, main results, uncertainties and need of complementary investigations. This report concern the Klipperaas study site. The main topics are the scope of activities, geologic model, geohydrological model, groundwater chemistry, assessment of solute transport, and rock mechanics

  1. 2008 LHC Open Days: Super(-conducting) events and activities

    CERN Multimedia

    2008-01-01

    Superconductivity will be one of the central themes of the programme of events and discovery activities of the forthcoming LHC Open Days on 5 and 6 April. Visitors will be invited to take part in a range of activities, experiments and exchanges all about this amazing aspect of the LHC project. Why superconductivity? Simply because it’s the principle on which the very operation of the LHC is based. At the heart of the LHC magnets lie 7000 kilometres of superconducting cables, each strand containing between 6000 and 9000 filaments of the superconducting alloy niobium-titanium in a copper coating. These cables, cooled to a temperature close to absolute zero, are able to conduct electricity without resistance. 12000 amp currents - an intensity some 30000 times greater than that of a 100 watt light bulb - pass through the cables of the LHC magnets.   Programme:   BLDG 163 (Saturday 5 and Sunday 6 April): See weird and wonderful experiments with your own eyes In the workshop where the 2...

  2. Dashboard applications to monitor experiment activities at sites

    Energy Technology Data Exchange (ETDEWEB)

    Andreeva, Julia; Gaidioz, Benjamin; Grigoras, Costin; Kokoszkiewicz, Lukasz; Lanciotti, Elisa; Rocha, Ricardo; Saiz, Pablo; Santinelli, Roberto; Sidorova, Irina; Sciaba, Andrea [CERN, European Organization for Nuclear Research (Switzerland); Belforte, Stefano [INFN Trieste (Italy); Boehm, Max [EDS, an HP Company, Plano, TX (United States); Casajus, Adrian [Universitat de Barcelona (Spain); Flix, Josep [PIC, Port d' Informacio CientIfica, Bellaterra (Spain); Tsaregorodtsev, Andrei, E-mail: Elisa.Lanciotti@cern.c, E-mail: Pablo.Saiz@cern.c [CPPM Marseille (France)

    2010-04-01

    In the framework of a distributed computing environment, such as WLCG, monitoring has a key role in order to keep under control activities going on in sites located in different countries and involving people based in many different sites. To be able to cope with such a large scale heterogeneous infrastructure, it is necessary to have monitoring tools providing a complete and reliable view of the overall performance of the sites. Moreover, the structure of a monitoring system critically depends on the object to monitor and on the users it is addressed to. In this article we will describe two different monitoring systems both aimed to monitor activities and services provided in the WLCG framework, but designed in order to meet the requirements of different users: Site Status Board has an overall view of the services available in all the sites supporting an experiment, whereas Siteview provides a complete view of all the activities going on at a site, for all the experiments supported by the site.

  3. Dashboard applications to monitor experiment activities at sites

    International Nuclear Information System (INIS)

    Andreeva, Julia; Gaidioz, Benjamin; Grigoras, Costin; Kokoszkiewicz, Lukasz; Lanciotti, Elisa; Rocha, Ricardo; Saiz, Pablo; Santinelli, Roberto; Sidorova, Irina; Sciaba, Andrea; Belforte, Stefano; Boehm, Max; Casajus, Adrian; Flix, Josep; Tsaregorodtsev, Andrei

    2010-01-01

    In the framework of a distributed computing environment, such as WLCG, monitoring has a key role in order to keep under control activities going on in sites located in different countries and involving people based in many different sites. To be able to cope with such a large scale heterogeneous infrastructure, it is necessary to have monitoring tools providing a complete and reliable view of the overall performance of the sites. Moreover, the structure of a monitoring system critically depends on the object to monitor and on the users it is addressed to. In this article we will describe two different monitoring systems both aimed to monitor activities and services provided in the WLCG framework, but designed in order to meet the requirements of different users: Site Status Board has an overall view of the services available in all the sites supporting an experiment, whereas Siteview provides a complete view of all the activities going on at a site, for all the experiments supported by the site.

  4. Active sites environmental monitoring program FY 1997 annual report

    International Nuclear Information System (INIS)

    Morrissey, C.M.; Marshall, D.S.; Cunningham, G.R.

    1998-03-01

    This report summarizes the activities conducted by the Active Sites Environmental Monitoring Program (ASEMP) from October 1996 through September 1997. The purpose of the program is to provide early detection and performance monitoring at active low-level waste (LLW) disposal sites in Solid Waste Storage Area (SWSA) 6 and transuranic (TRU) waste storage sites in SWSA 5 North. This report continues a series of annual and semiannual reports that present the results of ASEMP monitoring activities. This report details monitoring results for fiscal year (FY) 1997 from SWSA 6, including the Interim Waste Management Facility (IWMF) and the Hillcut Disposal Test Facility (HDTF), and (2) TRU-waste storage areas in SWSA 5 N. This report presents a summary of the methodology used to gather data for each major area along with the FY 1997 results. Figures referenced in the text are found in Appendix A and data tables are presented in Appendix B

  5. Gideaa study site. Scope of activities and main results

    International Nuclear Information System (INIS)

    Ahlbom, K.; Andersson, J.E.; Nordqvist, R.; Ljunggren, C.; Tiren, S.; Voss, C.

    1991-10-01

    During the period from 1977-1986 SKB (Swedish Nuclear Fuel and Waste Management Co) performed surface and borehole investigations of 14 study sites for the purpose of assessing their suitability for a repository of spent nuclear fuel. The next phase in the SKB site selection programme will be to perform detailed characterization, including characterization from shafts and/or tunnels, of two or three sites. The detailed investigations will continue over several years to provide all the data needed for a licensing application to build a repository. Such an application is foreseen to be given to the authorities around the year 2003. It is presently not clear if anyone of the study sites will be selected as a site for detailed characterization. Other site with geological and/or socio-economical characteristics judged more favourable may very well be the ones selected. However, as a part of the background documentation needed for the site selection studies to come, summary reports will be prepared for most study sites. These reports will include scope of activities, main results, uncertainties and need of complementary investigations. This report concerns the Gideaa study site. (au)

  6. Kamlunge study site. Scope of activities and main results

    International Nuclear Information System (INIS)

    Ahlbom, K.; Andersson, J.E.; Andersson, P.; Ittner, T.; Tiren, S.; Ljunggren, C.

    1992-05-01

    During the period from 1977-1986 SKB (Swedish nuclear Fuel and Waste Management Co.) performed surface and borehole investigations of 14 study sites for the purpose of assessing their suitability for a repository of spent nuclear fuel. The next phase in the SKB site selection programme will be to perform detailed characterization, including characterization from shafts and/or tunnels, of two or three sites. The detailed investigations will continue over several years to provide all the data needed for a licensing application to build a repository. Such an application is foreseen to be given to the authorities around the year 2003. It is presently not clear if anyone of the study sites will be selected as a site for detailed characterization. Other sites with geological and/or socio-economical characteristics judged more favourable may very well be selected. However, as a part of the background documentation needed for the site selection studies to come, summary reports will be prepared for most study sites. These reports will include scope of activities, main results, uncertainties and need of complementary investigations. This report concerns the Kamlunge study site. (79 refs.) (au)

  7. Fjaellveden study site. Scope of activities and main results

    International Nuclear Information System (INIS)

    Ahlbom, K.; Andersson, J.E.; Nordqvist, R.; Ljunggren, C.; Tiren, S.; Voss, C.

    1991-10-01

    During the period from 1977-1986 SKB (Swedish Nuclear Fuel and Waste Management CO) performed surface and borehole investigations of 14 study sites for the purpose of assessing their suitability for a repository of spent nuclear fuel. The next phase in the SKB site selection programme will be to perform detailed characterization, including characterization from shafts and/or tunnels, of two or three sites. The detailed investigations will continue over several years to provide all the data needed for a licensing application to build repository. Such an application is foreseen to be given to the authorities around the year 2003. It is presently not clear if anyone of the study sites will be selected as a site for detailed characterization. Other sites with geological and/or socio-economical characteristics judged more favourable may very well be the ones selected. However, as a part of the background documentation needed for the site selection studies to come, summary reports will be prepared for most study sites. These reports will include scope of activities, main results, uncertainties and need for complementary investigations. This report concerns the Fjaellveden study site. (au)

  8. On the periphery of the Magdalenian World. An open-air site in Klementowice (Lublin Upland, Eastern Poland)

    Czech Academy of Sciences Publication Activity Database

    Wisniewski, T.; Mroczek, P.; Rodzik, J.; Zagórski, P.; Wilczyński, J.; Nývltová Fišáková, Miriam

    2012-01-01

    Roč. 272, č. 2012 (2012), s. 308-321 ISSN 1040-6182 Institutional research plan: CEZ:AV0Z80010507 Keywords : Magdalénien * Seasonality * open - air site Subject RIV: AC - Archeology, Anthropology, Ethnology Impact factor: 1.962, year: 2012

  9. Glymphatic stasis at the site of the lamina cribrosa as a potential mechanism underlying open-angle glaucoma

    NARCIS (Netherlands)

    Wostyn, Peter; Killer, Hanspeter Esriel; De Deyn, Peter Paul

    The underlying pathophysiology of primary open-angle glaucoma remains unclear, but the lamina cribrosa seems to be the primary site of injury, and raised intraocular pressure is a major risk factor. In recent years, a decreased intracranial pressure, leading to an abnormally high trans-lamina

  10. CAN OPEN MEAN TERBUKA? NEGOTIATING LICENSES FOR INDONESIAN VIDEO ACTIVISM

    Directory of Open Access Journals (Sweden)

    Alexandra Crosby

    2010-01-01

    Full Text Available Abstract: Since the fall of Suharto’s New Order regime in Indonesia, space has been opened up for the emergence and development of new practices of media production and distribution, such as the use of video for social change. As access to the technology for producing, distributing and watching video becomes increasingly democratised in Indonesia over this period, a spectrum of approaches to licensing are developing in response to ideology as well as economic impetus. These include the full adherence to the global norms of intellectual property rights, market-driven piracy, politically based rejection of any restrictions, and a burgeoning interest in Creative Commons.While Indonesia hosts one of the most enthusiastic cultures of digital sharing, this article argues that there is not yet a solution for the issues of copyright management that fits the Indonesian context. We examine the work of several groups who are currently active in producing social and environmental video in the archipelago. These include VideoBattle, Forum Lenteng, and the EngageMedia network.

  11. Factors Associated with the Risk of Persistent Gastrostomy Site Infection Following Laparoscopic or Open Nissen Fundoplication

    Directory of Open Access Journals (Sweden)

    Hisayuki Miyagi

    2017-01-01

    Full Text Available Background: Gastrostomy for feeding disorders or swallowing dysfunctions can be complicated by persistent gastrostomy site infection (PGSI. PGSI causes nutrient leakage, with dilated PGSI requiring gastrostomy reconstruction. The purpose of this study was to evaluate the causes, patient characteristics, and perioperative management of PGSI after Nissen fundoplication and gastrostomy for patients with gastro-oesophageal reflux. Patients and Methods: The records of all patients who underwent Nissen fundoplication and gastrostomy for gastro-oesophageal reflux over the past 12 years were retrieved. Risk factors were analysed, including age at surgery, gender, operative procedure, use of postoperative ventilator management, gastrostomy tube migration towards the pylorus, bacterial culture results, and length of hospital stay. PGSI as a cause of inflammation was analysed statistically. Results: Forty patients were identified, ranging in age from 1 to 49 years (median, 11 years surgically. Twenty each underwent laparoscopic and open surgery, with all undergoing gastrostomy using the Stamm technique. Four patients developed PGSI. Gastrostomy tubes had migrated postoperatively to the pyloric side in three of these four patients (P < 0.005, increasing intragastric pressure. Three of these four patients also required positive pressure ventilation during the perioperative period (P < 0.001. Conclusion: PGSI correlates with the perioperative management of positive pressure and with increased intragastric pressure resulting from pyloric obstruction, which is caused by aberrant distribution of the gastrostomy tube to the pyloric side. Statistical Analysis Used: Factors in the two groups were compared statistically by Mann–Whitney U-test to determine whether PGSI caused inflammation. Statistical significance was defined as P < 0.05.

  12. Active chemisorption sites in functionalized ionic liquids for carbon capture.

    Science.gov (United States)

    Cui, Guokai; Wang, Jianji; Zhang, Suojiang

    2016-07-25

    Development of novel technologies for the efficient and reversible capture of CO2 is highly desired. In the last decade, CO2 capture using ionic liquids has attracted intensive attention from both academia and industry, and has been recognized as a very promising technology. Recently, a new approach has been developed for highly efficient capture of CO2 by site-containing ionic liquids through chemical interaction. This perspective review focuses on the recent advances in the chemical absorption of CO2 using site-containing ionic liquids, such as amino-based ionic liquids, azolate ionic liquids, phenolate ionic liquids, dual-functionalized ionic liquids, pyridine-containing ionic liquids and so on. Other site-containing liquid absorbents such as amine-based solutions, switchable solvents, and functionalized ionic liquid-amine blends are also investigated. Strategies have been discussed for how to activate the existent reactive sites and develop novel reactive sites by physical and chemical methods to enhance CO2 absorption capacity and reduce absorption enthalpy. The carbon capture mechanisms of these site-containing liquid absorbents are also presented. Particular attention has been paid to the latest progress in CO2 capture in multiple-site interactions by amino-free anion-functionalized ionic liquids. In the last section, future directions and prospects for carbon capture by site-containing ionic liquids are outlined.

  13. Active Sites Environmental Monitoring Program: Mid-FY 1991 report

    Energy Technology Data Exchange (ETDEWEB)

    Ashwood, T.L.; Wickliff, D.S.; Morrissey, C.M.

    1991-10-01

    This report summarizes the activities of the Active Sites Environmental Monitoring Program (ASEMP) from October 1990 through March 1991. The ASEMP was established in 1989 by Solid Waste Operations and the Environmental Sciences Division to provide early detection and performance monitoring at active low-level radioactive waste (LLW) disposal sites in Solid Waste Storage Area (SWSA) 6 and transuranic (TRU) waste storage sites in SWSA 5 as required by chapters II and III of US Department of Energy Order 5820.2A. Monitoring results continue to demonstrate the no LLW is being leached from the storage vaults on the tumulus pads. Loading of vaults on Tumulus II began during this reporting period and 115 vaults had been loaded by the end of March 1991.

  14. Probing the putative active site of YjdL

    DEFF Research Database (Denmark)

    Jensen, Johanne Mørch; Ismat, Fouzia; Szakonyi, Gerda

    2012-01-01

    pocket that opens towards the extracellular space. The C-terminal side chain faces in the opposite direction into a sub pocket that faces the cytoplasm. These data indicated a stabilizing effect on a bulky N-terminal residue by an Ala281Phe variant and on the dipeptide backbone by Trp278...... with Glu388, a preliminary orientation model of a dipeptide in the YjdL cavity is presented. Single site mutations of particularly Ala281 and Trp278 support the presented orientation. A dipeptide bound in the cavity of YjdL appears to be oriented such that the N-terminal side chain protrudes into a sub...

  15. Evaluating suspect sites open-quotes to clean or not to clean?close quotes

    International Nuclear Information System (INIS)

    Murray, M.E.; Coleman, R.L.; Tiner, P.F.

    1996-01-01

    Within many large government reservations are many sites that are potentially contaminated from various uses such as experiments, material storage, or material processes. There also exist many smaller areas that, by proximity to contaminated sites, or due to work contracts, are likely to be contaminated. The party responsible for such sites must evaluate if remediation is required, based on current guidelines and future uses. The Departments of Defense and Energy have many sites and properties that are suspected of being contaminated or associated with operations that could cause contamination. In some cases the contaminants may have been adequately cleaned up, then decayed away, biodegraded, or dispersed to a nondetectable level. The decision to remove these sites from any further consideration of remediation or control must be based on historical data, potential contaminants, current analytical data, future uses, and the cost associated with managing the sites. This paper deals with the methodology for evaluating small sites and gives some case studies

  16. Opening

    International Nuclear Information System (INIS)

    Grimstad, Erlend

    1999-01-01

    The views of the Norwegian Government on oil and gas issues are presented. Today Norwegian deliveries of natural gas account for a substantial and growing part of the supplies of gas to Europe. The Government has always tried to implement rules and regulations, which encourage the efficient exploitation of the petroleum resources. The two pillars of the gas marketing system are negotiation of non-field specific gas supply contracts and government allocation of these contracts to individual fields. The Gas Supply Committee is established to make recommendations on allocation issues. Many gas fields on the Continental Shelf have large portions of oil and condensate attached to the gas production. These fields can be produced more efficiently. In Norway, natural gas is gradually becoming a more important part of the Norwegian petroleum activities, and the potential gas resources are expected to be of the same order as the expected potential oil resources. In the present situation, injection gas is needed to optimize the oil production and this imposes constraints on new exports of natural gas. The overall goals of the petroleum industry were reported to the parliament in 1998. In 1999 a supplementary report was presented that covers (1) The oil market and Norwegian policy, (2) The competitiveness of the Norwegian Shelf, (3) The Investment Panel's report which analyzes cost overruns for recent petroleum development projects, and (4) A specific report on cost increases in the Aasgard project. These items are discussed in some detail

  17. Opening

    Energy Technology Data Exchange (ETDEWEB)

    Grimstad, Erlend [Olje- og energidepartementet, Oslo (Norway)

    1999-07-01

    The views of the Norwegian Government on oil and gas issues are presented. Today Norwegian deliveries of natural gas account for a substantial and growing part of the supplies of gas to Europe. The Government has always tried to implement rules and regulations, which encourage the efficient exploitation of the petroleum resources. The two pillars of the gas marketing system are negotiation of non-field specific gas supply contracts and government allocation of these contracts to individual fields. The Gas Supply Committee is established to make recommendations on allocation issues. Many gas fields on the Continental Shelf have large portions of oil and condensate attached to the gas production. These fields can be produced more efficiently. In Norway, natural gas is gradually becoming a more important part of the Norwegian petroleum activities, and the potential gas resources are expected to be of the same order as the expected potential oil resources. In the present situation, injection gas is needed to optimize the oil production and this imposes constraints on new exports of natural gas. The overall goals of the petroleum industry were reported to the parliament in 1998. In 1999 a supplementary report was presented that covers (1) The oil market and Norwegian policy, (2) The competitiveness of the Norwegian Shelf, (3) The Investment Panel's report which analyzes cost overruns for recent petroleum development projects, and (4) A specific report on cost increases in the Aasgard project. These items are discussed in some detail.

  18. Reduction of Urease Activity by Interaction with the Flap Covering the Active Site

    Science.gov (United States)

    Macomber, Lee; Minkara, Mona S.; Hausinger, Robert P.; Merz, Kenneth M.

    2015-01-01

    With the increasing appreciation for the human microbiome coupled with the global rise of antibiotic resistant organisms, it is imperative that new methods be developed to specifically target pathogens. To that end, a novel computational approach was devised to identify compounds that reduce the activity of urease, a medically important enzyme of Helicobacter pylori, Proteus mirabilis, and many other microorganisms. Urease contains a flexible loop that covers its active site; Glide was used to identify small molecules predicted to lock this loop in an open conformation. These compounds were screened against the model urease from Klebsiella aerogenes and the natural products epigallocatechin and quercetin were shown to inhibit at low and high micromolar concentrations, respectively. These molecules exhibit a strong time-dependent inactivation of urease that was not due to their oxygen sensitivity. Rather, these compounds appear to inactivate urease by reacting with a specific Cys residue located on the flexible loop. Substitution of this cysteine by alanine in the C319A variant increased the urease resistance to both epigallocatechin and quercetin, as predicted by the computational studies. Protein dynamics are integral to the function of many enzymes; thus, identification of compounds that lock an enzyme into a single conformation presents a useful approach to define potential inhibitors. PMID:25594724

  19. The nature of the active site in heterogeneous metal catalysis

    DEFF Research Database (Denmark)

    Nørskov, Jens Kehlet; Bligaard, Thomas; Larsen, Britt Hvolbæk

    2008-01-01

    This tutorial review, of relevance for the surface science and heterogeneous catalysis communities, provides a molecular-level discussion of the nature of the active sites in metal catalysis. Fundamental concepts such as "Bronsted-Evans-Polanyi relations'' and "volcano curves'' are introduced...

  20. Active Sites Environmental Monitoring Program: FY 1990 annual report

    International Nuclear Information System (INIS)

    Wickliff, D.S.; Morrissey, C.M.; Ashwood, T.L.

    1991-10-01

    Chapter 3 of US Department of Energy (DOE) Order 5820.2A (DOE 1988) sets forth requirements for environmental monitoring of active low-level waste (LLW) disposal sites. Active sites are defined as those LLW facilities that were in use on or after the date of the order (September 1988). The transuranic (TRU) waste storage areas in Solid Waste Storage Area (SWSA) 5 North are covered by Chap. 2 of the order. In both chapters, monitoring is required to provide for early warning of leaks before those leaks pose a threat to human health or the environment. Chapter 3 also requires that monitoring be conducted to evaluate the short- and long-term performance of LLW disposal facilities. In accordance with this order, the Solid Waste Operations Department at Oak Ridge National Laboratory (ORNL) has established an Active Sites Environmental Monitoring Program (ASEMP) that is implemented by staff of the Environmental Sciences Division (ESD) at ORNL. This report summarizes data from ASEMP monitoring activities for the final 6 months of FY 1990. A brief summary of the monitoring methodology for each site is presented also

  1. Leachate characterization of active and closed dump sites in Port ...

    African Journals Online (AJOL)

    This study characterizes the leachate quality of both active and closed dump sites in Port Harcourt City. Leachates were sampled from the base of the dum psites and analysed, pH, dissolved oxygen (DO), electrical conductivity and total dissolved solids were determined on the samples in-situ. While chloride, sulphate ...

  2. Energy transfer at the active sites of heme proteins

    International Nuclear Information System (INIS)

    Dlott, D.D.; Hill, J.R.

    1995-01-01

    Experiments using a picosecond pump-probe apparatus at the Picosecond Free-electron Laser Center at Stanford University, were performed to investigate the relaxation of carbon monoxide bound to the active sites of heme proteins. The significance of these experiments is two-fold: (1) they provide detailed information about molecular dynamics occurring at the active sites of proteins; and (2) they provide insight into the nature of vibrational relaxation processes in condensed matter. Molecular engineering is used to construct various molecular systems which are studied with the FEL. We have studied native proteins, mainly myoglobin obtained from different species, mutant proteins produced by genetic engineering using recombinant DNA techniques, and a variety of model systems which mimic the structures of the active sites of native proteins, which are produced using molecular synthesis. Use of these different systems permits us to investigate how specific molecular structural changes affect dynamical processes occurring at the active sites. This research provides insight into the problems of how different species needs are fulfilled by heme proteins which have greatly different functionality, which is induced by rather small structural changes

  3. Direct instrumental identification of catalytically active surface sites

    Science.gov (United States)

    Pfisterer, Jonas H. K.; Liang, Yunchang; Schneider, Oliver; Bandarenka, Aliaksandr S.

    2017-09-01

    The activity of heterogeneous catalysts—which are involved in some 80 per cent of processes in the chemical and energy industries—is determined by the electronic structure of specific surface sites that offer optimal binding of reaction intermediates. Directly identifying and monitoring these sites during a reaction should therefore provide insight that might aid the targeted development of heterogeneous catalysts and electrocatalysts (those that participate in electrochemical reactions) for practical applications. The invention of the scanning tunnelling microscope (STM) and the electrochemical STM promised to deliver such imaging capabilities, and both have indeed contributed greatly to our atomistic understanding of heterogeneous catalysis. But although the STM has been used to probe and initiate surface reactions, and has even enabled local measurements of reactivity in some systems, it is not generally thought to be suited to the direct identification of catalytically active surface sites under reaction conditions. Here we demonstrate, however, that common STMs can readily map the catalytic activity of surfaces with high spatial resolution: we show that by monitoring relative changes in the tunnelling current noise, active sites can be distinguished in an almost quantitative fashion according to their ability to catalyse the hydrogen-evolution reaction or the oxygen-reduction reaction. These data allow us to evaluate directly the importance and relative contribution to overall catalyst activity of different defects and sites at the boundaries between two materials. With its ability to deliver such information and its ready applicability to different systems, we anticipate that our method will aid the rational design of heterogeneous catalysts.

  4. Role of active site rigidity in activity: MD simulation and fluorescence study on a lipase mutant.

    Directory of Open Access Journals (Sweden)

    Md Zahid Kamal

    Full Text Available Relationship between stability and activity of enzymes is maintained by underlying conformational flexibility. In thermophilic enzymes, a decrease in flexibility causes low enzyme activity while in less stable proteins such as mesophiles and psychrophiles, an increase in flexibility is associated with enhanced enzyme activity. Recently, we identified a mutant of a lipase whose stability and activity were enhanced simultaneously. In this work, we probed the conformational dynamics of the mutant and the wild type lipase, particularly flexibility of their active site using molecular dynamic simulations and time-resolved fluorescence techniques. In contrast to the earlier observations, our data show that active site of the mutant is more rigid than wild type enzyme. Further investigation suggests that this lipase needs minimal reorganization/flexibility of active site residues during its catalytic cycle. Molecular dynamic simulations suggest that catalytically competent active site geometry of the mutant is relatively more preserved than wild type lipase, which might have led to its higher enzyme activity. Our study implies that widely accepted positive correlation between conformation flexibility and enzyme activity need not be stringent and draws attention to the possibility that high enzyme activity can still be accomplished in a rigid active site and stable protein structures. This finding has a significant implication towards better understanding of involvement of dynamic motions in enzyme catalysis and enzyme engineering through mutations in active site.

  5. Standardized UXO Technology Demonstration Site Open Field Scoring Record Number 740

    National Research Council Canada - National Science Library

    Overbay, Jr., Larry; Fling, Rick; McClug, Christina; Watts, Kimberly; Banta, Matthew

    2006-01-01

    The objective in the Standardized UXO Technology Demonstration Site Program is to evaluate the detection and discrimination capabilities of a given technology under various field and soil conditions...

  6. Open innovation: the activities and views of companies in Wales

    DEFF Research Database (Denmark)

    Rhisiart, Martin; Djebarni, Rami; Thomas, Andrew

    favoured by companies are: 1) Financial support for collaboration, 2) Increase co-funding schemes for SMEs’ R&D, 3) Improve the institutional framework for collaboration, 4) Improve access to governmental support, 5) Foster networks and clusters The report sets out seven key recommendations for promoting......This is the Final Report of a study conducted on open innovation in companies in Wales. The programme of research included a review of global literature, interviews with 15 companies, a survey and a focus group.The study discusses Government support measures for open innovation.  Those most...

  7. Using a Web Site in an Elementary Science Methods Class: Are We Opening a Pandora's Box?

    Science.gov (United States)

    Lewis, Scott P.; O'Brien, George E.

    This paper describes the introduction and use of the World Wide Web (WWW) in an elementary science methods course at Florida International University (FIU). The goals of creating a web site include engaging conversations among educators, providing access to local resources for students, and examining student use of web sites and the Internet. The…

  8. Comparison of laparoscopic and open appendectomy in terms of operative time, hospital stay and frequency of surgical site infection

    International Nuclear Information System (INIS)

    Ibrahim, T.; Saleem, M.R.; Aziz, O.B.; Arshad, A.

    2014-01-01

    To compare laparoscopic and conventional open appendectomy in terms of operative time, hospital stay and frequency of surgical site infection (SSI). Patient and Methods: A total of 417 patients underwent appendectomy during this period. 137 patients underwent laparoscopic appendectomy (group A) while 280 patient had open appendectomy (group B). The samples include all patients who were operated open between the time span of june 2010 to september 2011. A chi square-test was performed to compare the data for statistical significance. Result: Mean operative time for group A was 79.21+-23.42 minitues where as in group B, the mean operative time was 41.49+-20.86 minitues. Group A patients had a shorter hospital 1 stay (3.6+-1 day) but in group B it was (5.2+-3 days). Seven patients (5.1 %) developed surgical site infection (SSI) in group A and 34 patients (12.14 %)developed postoperative SSI in group B. Conclusion: Laparoscopic appendectomy is superior to open appendectomy because of shorter hospital stay and laser-operative SSI, but requires longer operative time. (author)

  9. MODIS snow cover mapping accuracy in a small mountain catchment – comparison between open and forest sites

    Directory of Open Access Journals (Sweden)

    G. Blöschl

    2012-07-01

    Full Text Available Numerous global and regional validation studies have examined MODIS snow mapping accuracy by using measurements at climate stations, which are mainly at open sites. MODIS accuracy in alpine and forested regions is, however, still not well understood. The main objective of this study is to evaluate MODIS (MOD10A1 and MYD10A1 snow cover products in a small experimental catchment by using extensive snow course measurements at open and forest sites. The MODIS accuracy is tested in the Jalovecky creek catchment (northern Slovakia in the period 2000–2011. The results show that the combined Terra and Aqua images enable snow mapping at an overall accuracy of 91.5%. The accuracies at forested, open and mixed land uses at the Červenec sites are 92.7%, 98.3% and 81.8%, respectively. The use of a 2-day temporal filter enables a significant reduction in the number of days with cloud coverage and an increase in overall snow mapping accuracy. In total, the 2-day temporal filter decreases the number of cloudy days from 61% to 26% and increases the snow mapping accuracy to 94%. The results indicate three possible factors leading to misclassification of snow as land: patchy snow cover, limited MODIS geolocation accuracy and mapping algorithm errors. Out of a total of 27 misclassification cases, patchy snow cover, geolocation issues and mapping errors occur in 12, 12 and 3 cases, respectively.

  10. Public open space, physical activity, urban design and public health: Concepts, methods and research agenda.

    Science.gov (United States)

    Koohsari, Mohammad Javad; Mavoa, Suzanne; Villanueva, Karen; Sugiyama, Takemi; Badland, Hannah; Kaczynski, Andrew T; Owen, Neville; Giles-Corti, Billie

    2015-05-01

    Public open spaces such as parks and green spaces are key built environment elements within neighbourhoods for encouraging a variety of physical activity behaviours. Over the past decade, there has been a burgeoning number of active living research studies examining the influence of public open space on physical activity. However, the evidence shows mixed associations between different aspects of public open space (e.g., proximity, size, quality) and physical activity. These inconsistencies hinder the development of specific evidence-based guidelines for urban designers and policy-makers for (re)designing public open space to encourage physical activity. This paper aims to move this research agenda forward, by identifying key conceptual and methodological issues that may contribute to inconsistencies in research examining relations between public open space and physical activity. Copyright © 2015 Elsevier Ltd. All rights reserved.

  11. The role of internal coupling activities in explaining the effectiveness of open innovation

    DEFF Research Database (Denmark)

    Burcharth, Ana Luiza de Araújo; Knudsen, Mette Præst; Søndergaard, Helle Alsted

    2013-01-01

    This paper investigates the role of internal contingencies in explaining performance implications of open innovation by addressing the questions: does openness drive innovation performance? And if so, what organizational activities impact the effectiveness of both the inbound and the outbound...... finds that the effect of openness is mediated by the use of internal coupling activities that give employees latitude, information and skills to work autonomously. A key result is that the benefits of open innovation are fully captured only when firms adopt a number of activities that provide employees...... with autonomy and empowerment to conduct their work. The paper concludes with implications to theory and practice....

  12. Mapping the active site of vaccinia virus RNA triphosphatase

    International Nuclear Information System (INIS)

    Gong Chunling; Shuman, Stewart

    2003-01-01

    The RNA triphosphatase component of vaccinia virus mRNA capping enzyme (the product of the viral D1 gene) belongs to a family of metal-dependent phosphohydrolases that includes the RNA triphosphatases of fungi, protozoa, Chlorella virus, and baculoviruses. The family is defined by two glutamate-containing motifs (A and C) that form the metal-binding site. Most of the family members resemble the fungal and Chlorella virus enzymes, which have a complex active site located within the hydrophilic interior of a topologically closed eight-stranded β barrel (the so-called ''triphosphate tunnel''). Here we queried whether vaccinia virus capping enzyme is a member of the tunnel subfamily, via mutational mapping of amino acids required for vaccinia triphosphatase activity. We identified four new essential side chains in vaccinia D1 via alanine scanning and illuminated structure-activity relationships by conservative substitutions. Our results, together with previous mutational data, highlight a constellation of six acidic and three basic amino acids that likely compose the vaccinia triphosphatase active site (Glu37, Glu39, Arg77, Lys107, Glu126, Asp159, Lys161, Glu192, and Glu194). These nine essential residues are conserved in all vertebrate and invertebrate poxvirus RNA capping enzymes. We discerned no pattern of clustering of the catalytic residues of the poxvirus triphosphatase that would suggest structural similarity to the tunnel proteins (exclusive of motifs A and C). We infer that the poxvirus triphosphatases are a distinct lineage within the metal-dependent RNA triphosphatase family. Their unique active site, which is completely different from that of the host cell's capping enzyme, recommends the poxvirus RNA triphosphatase as a molecular target for antipoxviral drug discovery

  13. Decommissioning and decontamination activity, Gnome Site, Eddy County, New Mexico

    International Nuclear Information System (INIS)

    1978-10-01

    The purpose of this assessment is to present a brief description of the proposed activity and its potential impacts on the environment. This assessment will constitute an evaluation as to whether or not a formal Environmental Statement need be prepared. As background to the proposed activity, Project Gnome was an underground nuclear test conducted in December 1961 as part of the PLOWSHARE Program. The project site is located about 25 miles southeast of Carlsbad, New Mexico. By means of an excavated shaft and tunnel, a 3-kiloton nuclear explosive was emplaced and detonated in a salt bed about 1200 feet below the surface. The uncontaminated rock and salt muck from the original excavation and subsequent contaminated muck and minor construction debris from reentry activities into the nuclear cavity is commingled and stored in a pile near the Gnome/Coach Shaft. Other areas on the site are known to have been contaminated. In 1969, a program was conducted to cleanup and dispose of all surface contamination to whatever depth it occurred in excess of 0.1 mR/hr. Contaminated materials and soil were collected and disposed into the Gnome shaft, which was filled and sealed. Since then, NV has proposed to DOE/HQ much lower criteria for residual radioactive contamination for the Gnome Site. These proposed criteria were to collect and dispose of surficial materials which contain more than 2 x 10 -5 microcuries per gram of soil for beta/gamma emitters and 3 x 10 -2 microcuries per milliliter of tritium in soil moisture. According to the latest reconnaissance in 1972, low concentrations of Cs-137, Sr-90 and tritium were present at various locations on the site in excess of these proposed guidelines. Other operational areas within the site are suspected of containing radioactive contamination in much lesser volume, which are to be determined by careful probing and monitoring, as described in the next section

  14. Methodology for contaminated sites of military activity territories restoration

    International Nuclear Information System (INIS)

    Khrushchov, D. P.; Yushchenko, Yu. V.; Shekhunova, S. B.

    2002-01-01

    Major part of Eastern Europe countries meet environmental problems related to sites of military activity. Major part of these sites is characterised with degradation of natural landscapes and contamination of geological environment with toxic and hazardous waste representing actual and potential danger for population and environment. Actual danger is caused with localisation of toxic waste, hazardous materials and waste which are preventing normal land use. Potential danger is related to successive dispersion of contamination in biosphere as well as origin of new derivatives and products having toxic and hazardous properties. The list of such sites and objects comprises bases of land, air and naval forces. These objects include a network of infrastructures: storages of fuels and lubricants (surface, underground), filling stations, pipe lines, reparation stations, garages, decontamination stations, underground storages of different purposes, depots (for ammunition, chemical products), hospitals, constructions, firing grounds (tank, artillery, aircraft bombing etc.) and waste disposal sites. Special programs aimed at military industries and bases contaminated sites remediation have been carrying out in developed countries (USA, United Kingdom, Germany etc.). This experience was used in the frames of joint programs having been founded in several countries of Central and Eastern Europe (Chesh Republic, Slovakia, Lithuania etc.). (author)

  15. Enabling socio-economic activities: Opening global markets for the marginalized through secure ICT use

    CSIR Research Space (South Africa)

    Phahlamohlaka, Jackie

    2016-08-01

    Full Text Available This paper identifies and describes five economic activities through which ICT could effectively be used to open global markets for rural and marginalized communities. The activities are identified in contexts where there are no industries...

  16. Fragment-based identification of determinants of conformational and spectroscopic change at the ricin active site

    Directory of Open Access Journals (Sweden)

    Soares Alexei S

    2007-11-01

    Full Text Available Abstract Background Ricin is a potent toxin and known bioterrorism threat with no available antidote. The ricin A-chain (RTA acts enzymatically to cleave a specific adenine base from ribosomal RNA, thereby blocking translation. To understand better the relationship between ligand binding and RTA active site conformational change, we used a fragment-based approach to find a minimal set of bonding interactions able to induce rearrangements in critical side-chain positions. Results We found that the smallest ligand stabilizing an open conformer of the RTA active site pocket was an amide group, bound weakly by only a few hydrogen bonds to the protein. Complexes with small amide-containing molecules also revealed a switch in geometry from a parallel towards a splayed arrangement of an arginine-tryptophan cation-pi interaction that was associated with an increase and red-shift in tryptophan fluorescence upon ligand binding. Using the observed fluorescence signal, we determined the thermodynamic changes of adenine binding to the RTA active site, as well as the site-specific binding of urea. Urea binding had a favorable enthalpy change and unfavorable entropy change, with a ΔH of -13 ± 2 kJ/mol and a ΔS of -0.04 ± 0.01 kJ/(K*mol. The side-chain position of residue Tyr80 in a complex with adenine was found not to involve as large an overlap of rings with the purine as previously considered, suggesting a smaller role for aromatic stacking at the RTA active site. Conclusion We found that amide ligands can bind weakly but specifically to the ricin active site, producing significant shifts in positions of the critical active site residues Arg180 and Tyr80. These results indicate that fragment-based drug discovery methods are capable of identifying minimal bonding determinants of active-site side-chain rearrangements and the mechanistic origins of spectroscopic shifts. Our results suggest that tryptophan fluorescence provides a sensitive probe for the

  17. Testing the applicability of rapid on-site enzymatic activity detection for surface water monitoring

    Science.gov (United States)

    Stadler, Philipp; Vogl, Wolfgang; Juri, Koschelnik; Markus, Epp; Maximilian, Lackner; Markus, Oismüller; Monika, Kumpan; Peter, Strauss; Regina, Sommer; Gabriela, Ryzinska-Paier; Farnleitner Andreas, H.; Matthias, Zessner

    2015-04-01

    On-site detection of enzymatic activities has been suggested as a rapid surrogate for microbiological pollution monitoring of water resources (e.g. using glucuronidases, galactosidases, esterases). Due to the possible short measuring intervals enzymatic methods have high potential as near-real time water quality monitoring tools. This presentation describes results from a long termed field test. For twelve months, two ColiMinder devices (Vienna Water Monitoring, Austria) for on-site determination of enzymatic activity were tested for stream water monitoring at the experimental catchment HOAL (Hydrological Open Air Laboratory, Center for Water Resource Systems, Vienna University of Technology). The devices were overall able to follow and reflect the diverse hydrological and microbiological conditions of the monitored stream during the test period. Continuous data in high temporal resolution captured the course of enzymatic activity in stream water during diverse rainfall events. The method also proofed sensitive enough to determine diurnal fluctuations of enzymatic activity in stream water during dry periods. The method was able to capture a seasonal trend of enzymatic activity in stream water that matches the results gained from Colilert18 analysis for E. coli and coliform bacteria of monthly grab samples. Furthermore the comparison of ColiMinder data with measurements gained at the same test site with devices using the same method but having different construction design (BACTcontrol, microLAN) showed consistent measuring results. Comparative analysis showed significant differences between measured enzymatic activity (modified fishman units and pmol/min/100ml) and cultivation based analyses (most probable number, colony forming unit). Methods of enzymatic activity measures are capable to detect ideally the enzymatic activity caused by all active target bacteria members, including VBNC (viable but nonculturable) while cultivation based methods cannot detect VBNC

  18. Active Sites Environmental Monitoring Program. FY 1993: Annual report

    International Nuclear Information System (INIS)

    Morrissey, C.M.; Ashwood, T.L.; Hicks, D.S.; Marsh, J.D.

    1994-08-01

    This report continues a series of annual and semiannual reports that present the results of the Active Sites Environmental Monitoring Program (ASEMP) monitoring activities. The report details monitoring data for fiscal year (FY) 1993 and is divided into three major areas: SWSA 6 [including tumulus pads, Interim Waste Management Facility (IWMF), and other sites], the low-level Liquid-Waste Solidification Project (LWSP), and TRU-waste storage facilities in SWSA 5 N. The detailed monitoring methodology is described in the second revision of the ASEMP program plan. This report also presents a summary of the methodology used to gather data for each major area along with the results obtained during FY 1993

  19. Active sites in char gasification: Final technical report

    Energy Technology Data Exchange (ETDEWEB)

    Wojtowicz, M.; Lilly, W.D.; Perkins, M.T.; Hradil, G.; Calo, J.M.; Suuberg, E.M.

    1987-09-01

    Among the key variables in the design of gasifiers and combustors is the reactivity of the chars which must be gasified or combusted. Significant loss of unburned char is unacceptable in virtually any process; the provision of sufficient residence time for complete conversion is essential. A very wide range of reactivities are observed, depending upon the nature of the char in a process. The current work focuses on furthering the understanding of gasification reactivities of chars. It has been well established that the reactivity of char to gasification generally depends upon three principal factors: (1) the concentration of ''active sites'' in the char; (2) mass transfer within the char; and (3) the type and concentration of catalytic impurities in the char. The present study primarily addresses the first factor. The subject of this research is the origin, nature, and fate of active sites in chars derived from parent hydrocarbons with coal-like structure. The nature and number of the active sites and their reactivity towards oxygen are examined in ''model'' chars derived from phenol-formaldehyde type resins. How the active sites are lost by the process of thermal annealing during heat treatment of chars are studied, and actual rate for the annealing process is derived. Since intrinsic char reactivities are of primary interest in the present study, a fair amount of attention was given to the model char synthesis and handling so that the effect of catalytic impurities and oxygen-containing functional groups in the chemical structure of the material were minimized, if not completely eliminated. The project would not be considered complete without comparing characteristic features of synthetic chars with kinetic behavior exhibited by natural chars, including coal chars.

  20. Delta Learning Rule for the Active Sites Model

    OpenAIRE

    Lingashetty, Krishna Chaithanya

    2010-01-01

    This paper reports the results on methods of comparing the memory retrieval capacity of the Hebbian neural network which implements the B-Matrix approach, by using the Widrow-Hoff rule of learning. We then, extend the recently proposed Active Sites model by developing a delta rule to increase memory capacity. Also, this paper extends the binary neural network to a multi-level (non-binary) neural network.

  1. Exploiting Innocuous Activity for Correlating Users Across Sites

    OpenAIRE

    Goga , Oana; Lei , Howard; Parthasarathi , Sree Hari Krishnan; Friedland , Gerald; Sommer , Robin; Teixeira , Renata

    2013-01-01

    International audience; We study how potential attackers can identify accounts on different social network sites that all belong to the same user, exploiting only innocuous activity that inherently comes with posted content. We examine three specific features on Yelp, Flickr, and Twitter: the geo-location attached to a user's posts, the timestamp of posts, and the user's writing style as captured by language models. We show that among these three features the location of posts is the most powe...

  2. Site characterization techniques used in environmental remediation activities

    International Nuclear Information System (INIS)

    Kostelnik, K.M.

    2000-01-01

    As a result of decades of nuclear energy research, weapons production, as well as ongoing operations, a significant amount of radioactive contamination has occurred throughout the United States Department of Energy (DOE) complex. DOE facility are in the process of assessing and potentially remediating various sites according to the regulations imposed by a Federal Facility Agreement and Consent order (FFA/CO) between DOE, the state in which the facility is located, and the U.S. Environmental Protection Agency (EPA). In support of these active site remediation efforts, the DOE has devoted considerable resources towards the development of innovative site characterization techniques that support environmental restoration activities. These resources and efforts have focused on various aspects of this complex problem. Research and technology development conducted at the Idaho National Engineering and Environmental Laboratory (INEEL) has resulted in the ability and state-of-the-art equipment required to obtain real-time, densely spaced, in situ characterization data (i.e. detection, speciation, and location) of various radionuclides and contaminants. The Remedial Action Monitoring System (RAMS), developed by the INEEL, consists of enhanced sensor technology, measurement modeling and interpretation techniques, and a suite of deployment platforms which can be interchanged to directly support remedial cleanup and site verification operations. In situ characterization techniques have advanced to the point where they are being actively deployed in support of remedial operations. The INEEL has deployed its system at various DOE and international sites. The deployment of in situ characterization systems during environmental restoration operations has shown that this approach results in several significant benefits versus conventional sampling techniques. A flexible characterization system permits rapid modification to satisfy physical site conditions, available site resources

  3. Mechanochemical coupling in the myosin motor domain. I. Insights from equilibrium active-site simulations.

    Directory of Open Access Journals (Sweden)

    Haibo Yu

    2007-02-01

    Full Text Available Although the major structural transitions in molecular motors are often argued to couple to the binding of Adenosine triphosphate (ATP, the recovery stroke in the conventional myosin has been shown to be dependent on the hydrolysis of ATP. To obtain a clearer mechanistic picture for such "mechanochemical coupling" in myosin, equilibrium active-site simulations with explicit solvent have been carried out to probe the behavior of the motor domain as functions of the nucleotide chemical state and conformation of the converter/relay helix. In conjunction with previous studies of ATP hydrolysis with different active-site conformations and normal mode analysis of structural flexibility, the results help establish an energetics-based framework for understanding the mechanochemical coupling. It is proposed that the activation of hydrolysis does not require the rotation of the lever arm per se, but the two processes are tightly coordinated because both strongly couple to the open/close transition of the active site. The underlying picture involves shifts in the dominant population of different structural motifs as a consequence of changes elsewhere in the motor domain. The contribution of this work and the accompanying paper [] is to propose the actual mechanism behind these "population shifts" and residues that play important roles in the process. It is suggested that structural flexibilities at both the small and large scales inherent to the motor domain make it possible to implement tight couplings between different structural motifs while maintaining small free-energy drops for processes that occur in the detached states, which is likely a feature shared among many molecular motors. The significantly different flexibility of the active site in different X-ray structures with variable level arm orientations supports the notation that external force sensed by the lever arm may transmit into the active site and influence the chemical steps (nucleotide

  4. Seismic activity parameters of the Finnish potential repository sites

    International Nuclear Information System (INIS)

    Saari, J.

    2000-10-01

    Posiva Oy has started a project for estimating the possible earthquake induced rock movements on the deposition holes containing canisters of spent nuclear fuel. These estimates will be made for the four investigation sites, Romuvaara, Kivetty, Olkiluoto and Haestholmen. This study deals with the current and future seismicity associated with the above mentioned sites. Seismic belts that participate the seismic behaviour of the studied sites have been identified and the magnitude-frequency distributions of these belts have been estimated. The seismic activity parameters of the sites have been deduced from the characteristics of the seismic belts in order to forecast the seismicity during the next 100,000 years. The report discusses the possible earthquakes induced by future glaciation. The seismic interpretation seems to indicate that the previous postglacial faults in Finnish Lapland have been generated in compressional environment. The orientation of the rather uniform compression has been NW-SE, which coincide with the current stress field. It seems that, although the impact of postglacial crustal rebound must have been significant, the impact of plate tectonics has been dominant. A major assumption of this study has been that future seismicity will generally resemble the current seismicity. However, when the postglacial seismicity is concerned, the magnitude-frequency distribution is likely different and the expected maximum magnitude will be higher. Maximum magnitudes of future postglacial earthquakes have been approximated by strain release examinations. Seismicity has been examined within the framework of the lineament maps, in order to associate the future significant earthquakes with active fault zones in the vicinity of the potential repository sites. (orig.)

  5. Monitoring of In-Field Variability for Site Specific Crop Management Through Open Geospatial Information

    Science.gov (United States)

    Řezník, T.; Lukas, V.; Charvát, K.; Charvát, K., Jr.; Horáková, Š.; Křivánek, Z.; Herman, L.

    2016-06-01

    The agricultural sector is in a unique position due to its strategic importance around the world. It is crucial for both citizens (consumers) and the economy (both regional and global), which, ideally, should ensure that the whole sector is a network of interacting organisations. It is important to develop new tools, management methods, and applications to improve the management and logistic operations of agricultural producers (farms) and agricultural service providers. From a geospatial perspective, this involves identifying cost optimization pathways, reducing transport, reducing environmental loads, and improving the energy balance, while maintaining production levels, etc. This paper describes the benefits of, and open issues arising from, the development of the Open Farm Management Information System. Emphasis is placed on descriptions of available remote sensing and other geospatial data, and their harmonization, processing, and presentation to users. At the same time, the FOODIE platform also offers a novel approach of yield potential estimations. Validation for one farm demonstrated 70% successful rate when comparing yield results at a farm counting 1'284 hectares on one hand and results of a theoretical model of yield potential on the other hand. The presented Open Farm Management Information System has already been successfully registered under Phase 8 of the Global Earth Observation System of Systems (GEOSS) Architecture Implementation Pilot in order to support the wide variety of demands that are primarily aimed at agriculture and water pollution monitoring by means of remote sensing.

  6. How to open & operate a financially successful web site design business

    CERN Document Server

    Evans, Charlotte

    2009-01-01

    The Pricing & Ethical Guidelines Handbook published by the Graphic Arts Guild reports that the average cost of designing a Web site for a small corporation can range from 7,750 to 15,000. It is incredibly easy to see the enormous profit potential. Web design businesses can be run part- or full-time and can easily be started in your own home. As such, they are one of the fastest growing segments of the Internet economy. Here is the manual you need to cash in on this highly profitable segment of the industry. This book is a comprehensive and detailed study of the business side of Web site des

  7. Role of Antibiotics on Surgical Site Infection in Cases of Open and ...

    African Journals Online (AJOL)

    Surgical site infection (SSI) comes as third most common healthcare related infection which produces morbidity and deaths at large.[1] There are evidence of postoperative morbidity due to SSI. So it is needed to improve the outcome of surgical procedures and hence advised to give antibiotic prophylaxis. The incidence.

  8. Identification and characterization of Kaposi's sarcoma-associated herpesvirus open reading frame 11 promotor activation

    Energy Technology Data Exchange (ETDEWEB)

    Chen, Lei [Los Alamos National Laboratory

    2008-01-01

    Open reading frame 11 (ORF11) of Kaposi's sarcoma-associated herpesvirus belongs to a herpesviral homologous protein family shared by some members of the gamma- herpesvirus subfamily. Little is known about this ORF11 homologous protein family. We have characterized an unknown open reading frame, ORF11, located adjacent and in the opposite orientation to a well-characterized viral IL-6 gene. Northern blot analysis reveals that ORF11 is expressed during the KSHV lytic cycle with delayed-early transcription kinetics. We have determined the 5{prime} and 3{prime} untranslated region of the unspliced ORF11 transcript and identified both the transcription start site and the transcription termination site. Core promoter region, representing ORF11 promoter activity, was mapped to a 159nt fragment 5{prime} most proximal to the transcription start site. A functional TATA box was identified in the core promoter region. Interestingly, we found that ORF11 transcriptional activation is not responsive to Rta, the KSHV lytic switch protein. We also discovered that part of the ORF11 promoter region, the 209nt fragment upstream of the transcription start site, was repressed by phorbol esters. Our data help to understand transcription regulation of ORF11 and to elucidate roles of ORF11 in KSHV pathogenesis and life cycle.

  9. Wired well sites: future of data acquisition based on open architecture

    Energy Technology Data Exchange (ETDEWEB)

    Marsters, S.

    1999-10-01

    Up to recent times, there have been two primary ways to access process information such as flow volumes, pressure, temperature, surface cards, on/off status, fluid levels, torque/rpm and location, from remote sites. One way was to drive or helicopter to the site and retrieve the data. The other method was using SCADA, a data acquisition system composed of a remote terminal unit (RTU) to measure data at the site, a communication system to relay the data from the site to a central location, and a host computer system at the central site to receive and display the data brought in by the communication system. This paper is devoted to the examination of several of the communication systems, such as cellular digital packet data modems, low earth orbiting satellite systems and geosynchronous satellite systems, and devices that permit communication with remote host computer systems, such as processor assisted connectors (PAC) and the Intersat-developed global data network (GDN). With these proprietary devices in place, companies have the freedom to select virtually any type of communications system and combine it with virtually any type of output device to serve as the host computer. The GDN can automatically recognize the type of data transmitted, the source, the destination, and whether the information is scheduled or unscheduled, and raise an alarm in the case unscheduled messages to initiate immediate response. A second level of Intersat service (IP ANYWHERE) includes the capability for customers to check a well's status at any time they wish, to alter flow volume, or turn a valve on or off. The potential for IP ANYWHERE is estimated to be excellent, especially in difficult-to-access remote locations. 2 photos.

  10. Research of mercury removal from sintering flue gas of iron and steel by the open metal site of Mil-101(Cr).

    Science.gov (United States)

    Zhao, Songjian; Mei, Jian; Xu, Haomiao; Liu, Wei; Qu, Zan; Cui, Yong; Yan, Naiqiang

    2018-06-05

    Metal-organic frameworks (MOFs) adsorbent Mil-101(Cr) was introduced for the removal of elemental mercury from sintering flue gas. Physical and chemical characterization of the adsorbents showed that MIL-101(Cr) had the largest BET surface area, high thermal stability and oxidation capacity. Hg 0 removal performance analysis indicated that the Hg 0 removal efficiency of MIL-101(Cr) increased with the increasing temperature and oxygen content. Besides, MIL-101(Cr) had the highest Hg 0 removal performance compared with Cu-BTC, UiO-66 and activated carbon, which can reach about 88% at 250 °C. The XPS and Hg-TPD methods were used to analyze the Hg 0 removal mechanism; the results show that Hg 0 was first adsorbed on the surface of Mil-101(Cr), and then oxidized by the open metal site Cr 3+ . The generated Hg 2+ was then combined surface adsorbed oxygen of adsorbent to form HgO, and the open metal site Cr 2+ was oxidized to Cr 3+ by surface active oxygen again. Furthermore, MIL-101(Cr) had good chemical and thermal stability. Copyright © 2017 Elsevier B.V. All rights reserved.

  11. Current activities handbook: formerly utilized sites remedial action program

    Energy Technology Data Exchange (ETDEWEB)

    None

    1981-02-27

    This volume is one of a series produced under contract with the DOE, by Politech Corporation to develop a legislative and regulatory data base to assist the FUSRAP management in addressing the institutional and socioeconomic issues involved in carrying out the Formerly Utilized Sites Remedial Action Program. This Information Handbook series contains information about all relevant government agencies at the Federal and state levels, the pertinent programs they administer, each affected state legislature, and current Federal and state legislative and regulatory initiatives. This volume is a compilation of information about the activities each of the thirteen state legislatures potentially affected by the Formerly Utilized Sites Remedial Action Program. It contains a description of the state legislative procedural rules and a schedule of each legislative session; a summary of pending relevant legislation; the name and telephone number of legislative and state agency contacts; and the full text of all bills identified.

  12. Current activities handbook: formerly utilized sites remedial action program

    International Nuclear Information System (INIS)

    1981-01-01

    This volume is one of a series produced under contract with the DOE, by Politech Corporation to develop a legislative and regulatory data base to assist the FUSRAP management in addressing the institutional and socioeconomic issues involved in carrying out the Formerly Utilized Sites Remedial Action Program. This Information Handbook series contains information about all relevant government agencies at the Federal and state levels, the pertinent programs they administer, each affected state legislature, and current Federal and state legislative and regulatory initiatives. This volume is a compilation of information about the activities each of the thirteen state legislatures potentially affected by the Formerly Utilized Sites Remedial Action Program. It contains a description of the state legislative procedural rules and a schedule of each legislative session; a summary of pending relevant legislation; the name and telephone number of legislative and state agency contacts; and the full text of all bills identified

  13. Behavioral and Locomotor Measurements Using an Open Field Activity Monitoring System for Skeletal Muscle Diseases

    OpenAIRE

    Tatem, Kathleen S.; Quinn, James L.; Phadke, Aditi; Yu, Qing; Gordish-Dressman, Heather; Nagaraju, Kanneboyina

    2014-01-01

    The open field activity monitoring system comprehensively assesses locomotor and behavioral activity levels of mice. It is a useful tool for assessing locomotive impairment in animal models of neuromuscular disease and efficacy of therapeutic drugs that may improve locomotion and/or muscle function. The open field activity measurement provides a different measure than muscle strength, which is commonly assessed by grip strength measurements. It can also show how drugs may affect other body sy...

  14. Behavioral and locomotor measurements using an open field activity monitoring system for skeletal muscle diseases.

    Science.gov (United States)

    Tatem, Kathleen S; Quinn, James L; Phadke, Aditi; Yu, Qing; Gordish-Dressman, Heather; Nagaraju, Kanneboyina

    2014-09-29

    The open field activity monitoring system comprehensively assesses locomotor and behavioral activity levels of mice. It is a useful tool for assessing locomotive impairment in animal models of neuromuscular disease and efficacy of therapeutic drugs that may improve locomotion and/or muscle function. The open field activity measurement provides a different measure than muscle strength, which is commonly assessed by grip strength measurements. It can also show how drugs may affect other body systems as well when used with additional outcome measures. In addition, measures such as total distance traveled mirror the 6 min walk test, a clinical trial outcome measure. However, open field activity monitoring is also associated with significant challenges: Open field activity measurements vary according to animal strain, age, sex, and circadian rhythm. In addition, room temperature, humidity, lighting, noise, and even odor can affect assessment outcomes. Overall, this manuscript provides a well-tested and standardized open field activity SOP for preclinical trials in animal models of neuromuscular diseases. We provide a discussion of important considerations, typical results, data analysis, and detail the strengths and weaknesses of open field testing. In addition, we provide recommendations for optimal study design when using open field activity in a preclinical trial.

  15. Nest predation increases with parental activity: separating nest site and parental activity effects.

    OpenAIRE

    Martin, T E; Scott, J; Menge, C

    2000-01-01

    Alexander Skutch hypothesized that increased parental activity can increase the risk of nest predation. We tested this hypothesis using ten open-nesting bird species in Arizona, USA. Parental activity was greater during the nestling than incubation stage because parents visited the nest frequently to feed their young during the nestling stage. However, nest predation did not generally increase with parental activity between nesting stages across the ten study species. Previous investigators h...

  16. Barriers and enabling factors for work-site physical activity programs: a qualitative examination.

    Science.gov (United States)

    Fletcher, Gena M; Behrens, Timothyh K; Domina, Lorie

    2008-05-01

    Work sites offer a productive setting for physical activity (PA) promoting interventions. Still, PA participation remains low. Thus, the purpose of this study was to examine the reasoning behind commonly reported barriers and enabling factors to participation in PA programs in a work-site setting. Employees from a large city government were recruited to participate in focus groups, stratified by white- and blue-collar occupations. Responses from open-ended questions about factors influencing participation in PA programs were audio recorded and transcribed verbatim. Resulting data were analyzed with open and axial coding. The sample consisted of 60 employees composing 9 focus groups. Although time was the most common barrier between both groups, white-collars workers responded that scheduling and work conflicts were the most common barrier concerning time. Blue-collar workers indicated shift work as their most common barrier. In addition, health was a significant enabling factor for both occupational categories. White-collar workers were much more concerned with appearances and were more highly motivated by weight loss and the hopefulness of quick results than were blue-collar workers. These findings are important in the understanding of PA as it relates to the reasoning behind participation in work-site programs in regard to occupational status.

  17. Open site tests on corrosion of carbon steel containers for radioactive waste forms

    International Nuclear Information System (INIS)

    Barinov, A.S.; Ojovan, M.I.; Ojovan, N.V.; Startceva, I.V.; Chujkova, G.N.

    1999-01-01

    Testing of waste containers under open field conditions is a component part of the research program that is being carried out at SIA Radon for more than 20 years to understand the long-term behavior of radioactive waste forms and waste packages. This paper presents the preliminary results of these ongoing studies. The authors used a typical NPP operational waste, containing 137 Cs, 134 Cs, and 60 Co as the dominant radioactive constituents. Bituminized and vitrified waste samples with 30--50 wt.% waste loading were prepared. Combined effects of climatic factors on corrosion behavior of carbon steel containers were estimated using gravimetric and chemical analyses. The observations suggest that uniform corrosion of containers prevails under open field conditions. The upper limits for the lifetime of containers were derived from calculations based on the model of atmospheric steel corrosion. Estimated lifetime values range from 300 to 600 years for carbon steel containers with the wall thickness of 2 mm containing vitrified waste, and from 450 to 500 years for containers with the wall thickness of 2.5 mm that were used for bituminized waste. However, following the most conservative method, pitting corrosion may cause container integrity failure after 60 to 90 years of exposure

  18. Estimating open population site occupancy from presence-absence data lacking the robust design.

    Science.gov (United States)

    Dail, D; Madsen, L

    2013-03-01

    Many animal monitoring studies seek to estimate the proportion of a study area occupied by a target population. The study area is divided into spatially distinct sites where the detected presence or absence of the population is recorded, and this is repeated in time for multiple seasons. However, when occupied sites are detected with probability p Ecology 84, 2200-2207) developed a multiseason model for estimating seasonal site occupancy (ψt ) while accounting for unknown p. Their model performs well when observations are collected according to the robust design, where multiple sampling occasions occur during each season; the repeated sampling aids in the estimation p. However, their model does not perform as well when the robust design is lacking. In this paper, we propose an alternative likelihood model that yields improved seasonal estimates of p and Ψt in the absence of the robust design. We construct the marginal likelihood of the observed data by conditioning on, and summing out, the latent number of occupied sites during each season. A simulation study shows that in cases without the robust design, the proposed model estimates p with less bias than the MacKenzie et al. model and hence improves the estimates of Ψt . We apply both models to a data set consisting of repeated presence-absence observations of American robins (Turdus migratorius) with yearly survey periods. The two models are compared to a third estimator available when the repeated counts (from the same study) are considered, with the proposed model yielding estimates of Ψt closest to estimates from the point count model. Copyright © 2013, The International Biometric Society.

  19. Invertebrate succession on open coast coal post mining sites in response to the type of restoration

    OpenAIRE

    Hromádková, Šárka

    2014-01-01

    This review deals with development of invertebrates on sites after brown coal mining in response to the type of restoration. When the soil properties are improved, it is then necessary to mitigate negative threats such as landslides and erosion or low pH. The following is an overlap of fertile soil. Soil characteristics can be locally modified by diversifying of plantations of fast and slow growing wood species. After a succession of plants and the subsequent increase in litter layer, the dev...

  20. Half-of-the-Sites Reactivity of the Castor Δ9-18:0-Acyl Carrier Protein Desaturase1[OPEN

    Science.gov (United States)

    Liu, Qin; Chai, Jin; Moche, Martin; Guy, Jodie; Lindqvist, Ylva; Shanklin, John

    2015-01-01

    Fatty acid desaturases regulate the unsaturation status of cellular lipids. They comprise two distinct evolutionary lineages, a soluble class found in the plastids of higher plants and an integral membrane class found in plants, yeast (Saccharomyces cerevisiae), animals, and bacteria. Both classes exhibit a dimeric quaternary structure. Here, we test the functional significance of dimeric organization of the soluble castor Δ9-18:0-acyl carrier protein desaturase, specifically, the hypothesis that the enzyme uses an alternating subunit half-of-the-sites reactivity mechanism whereby substrate binding to one subunit is coordinated with product release from the other subunit. Using a fluorescence resonance energy transfer assay, we demonstrated that dimers stably associate at concentrations typical of desaturase assays. An active site mutant T104K/S202E, designed to occlude the substrate binding cavity, was expressed, purified, and its properties validated by x-ray crystallography, size exclusion chromatography, and activity assay. Heterodimers comprising distinctly tagged wild-type and inactive mutant subunits were purified at 1:1 stoichiometry. Despite having only one-half the number of active sites, purified heterodimers exhibit equivalent activity to wild-type homodimers, consistent with half-of-the-sites reactivity. However, because multiple rounds of turnover were observed, we conclude that substrate binding to one subunit is not required to facilitate product release from the second subunit. The observed half-of-the-sites reactivity could potentially buffer desaturase activity from oxidative inactivation. That soluble desaturases require only one active subunit per dimer for full activity represents a mechanistic difference from the membrane class of desaturases such as the Δ9-acyl-CoA, Ole1p, from yeast, which requires two catalytically competent subunits for activity. PMID:26224800

  1. U-Th/ESR combined dating of faunal remains from the Mousterian open site of Beauvais (France)

    International Nuclear Information System (INIS)

    Michel, V.; Masaoudi, H.; Falgueres, Ch.; Yokoyama, Y.; Locht, J.L.; Antoine, P.

    1999-01-01

    Faunal remains from the Beauvais open site 'La Justice' (Oise) are the subject of an U-Th dating (disequilibrium of the uranium chain) and an ESR dating (electronic spin resonance). This study was performed in order to identify the chronological situation of the Middle Paleolithic levels of this site located in the north of France, supposedly aged stage 4 after stratigraphic correlations. U-Th ages of bones and dentine are between 20 and 200 ka and are scattered; however, the combined ESR/U-Th ages of rhinoceros dental enamels are homogeneous and indicate that the archaeological levels were deposited between 60 to 40 ka. This period corresponds to the end of the oxygen isotopic stage 4 to the beginning of stage 3. (authors) stage 3. (authors)

  2. Institutional opening: contribution to the public acceptance of the nuclear activities

    International Nuclear Information System (INIS)

    Martin, Hugo R.

    2003-01-01

    treated between 1954 and 1975 and the operation of the uranium oxide production plant of Dioxitek S.A. In the first case, the sole fact that there are 'residues' implies a negative connotation for the society. Their definitive uselessness and therefore the necessity of their elimination so soon and as far away as possible, is a natural perception in the population, also increased in this particular case for the use (and abusing in many opportunities) of the 'radioactive' or 'nuclear' adjectives. With them, a type of practically unknown risk is identified by the common man: the effects of the ionizing radiation on the life and the environment. In what concerns the operation of the plant, the doubts on possible accidents, or the final destination of their wastes and residues, is the main concern in the local community. On this background, during the year 2003, and taking into account the responsibility of informing the population on what is carried out in the facilities, the CNEA began a process of institutional opening. The legislators of the Commission of Ecological Matters of the Legislature of Cordoba, the members of educational centers and students of schools near to the site, officials of the municipal institutions, (Center of Communal Participation and Alta Cordoba Cultural Center), members of civil organizations with community ends (Association of Friends of the Belgrano Railways and Municipal Club) and neighbors have been invited to visit the site. The experience has shown to be doubly effective: on one hand the visitors manifested a clear support to the activities that are carried out in the site, ratifying their trust in the capacity of the CNEA to conduct them. On the other, the own personnel working in the place has appraised the importance that its daily work has for the society. (author)

  3. An Investigation into Social Learning Activities by Practitioners in Open Educational Practices

    Science.gov (United States)

    Schreurs, Bieke; Van den Beemt, Antoine; Prinsen, Fleur; Witthaus, Gabi; Conole, Gráinne; De Laat, Maarten

    2014-01-01

    By investigating how educational practitioners participate in activities around open educational practices (OEP), this paper aims at contributing to an understanding of open practices and how these practitioners learn to use OEP. Our research is guided by the following hypothesis: Different social configurations support a variety of social…

  4. Expression of adhesion and activation molecules on lymphocytes during open-heart surgery with cardiopulmonary bypass

    DEFF Research Database (Denmark)

    Toft, P; Tønnesen, Else Kirstine; Zülow, I

    1997-01-01

    Open-heart surgery with cardiopulmonary bypass (CPB) and abdominal surgery are associated with lymphocytopenia. We measured a panel of adhesion and activation molecules on lymphocytes to clarify possible association of CPB with increased expression of these molecules. Eight patients undergoing open...

  5. European citizenship and active citizenship: an ever open debate

    Directory of Open Access Journals (Sweden)

    Lauretta D’Angelo

    2007-09-01

    Full Text Available In the course of the last decade the European debate on the concept of citizenship has shown that a definition of this concept in strictly legal and jurisprudence terms is reductive. Indeed a behavioral element is present, which goes beyond the defence and request for defence of rights and duties, but actually stresses the importance of acting within a community (or within several communities. A citizenship belonging to a given space/time context which, to be authentic, requires know-how and know-how-to-be that can be gained in different training opportunities (formal, informal etc. with various active learning methodologies and through experience. The SEDEC project aims to investigate which teaching methodologies and activities specifically developed for the teaching of sciences can be applied in other learning contexts, in order to sustain actions for developing an active citizenship.

  6. Soil criteria to protect terrestrial wildlife and open-range livestock from metal toxicity at mining sites.

    Science.gov (United States)

    Ford, Karl L; Beyer, W Nelson

    2014-03-01

    Thousands of hard rock mines exist in the western USA and in other parts of the world as a result of historic and current gold, silver, lead, and mercury mining. Many of these sites in the USA are on public lands. Typical mine waste associated with these sites are tailings and waste rock dumps that may be used by wildlife and open-range livestock. This report provides wildlife screening criteria levels for metals in soil and mine waste to evaluate risk and to determine the need for site-specific risk assessment, remediation, or a change in management practices. The screening levels are calculated from toxicity reference values based on maximum tolerable levels of metals in feed, on soil and plant ingestion rates, and on soil to plant uptake factors for a variety of receptors. The metals chosen for this report are common toxic metals found at mining sites: arsenic, cadmium, copper, lead, mercury, and zinc. The resulting soil screening values are well above those developed by the US Environmental Protection Agency. The difference in values was mainly a result of using toxicity reference values that were more specific to the receptors addressed rather than the most sensitive receptor.

  7. Stereospecific suppression of active site mutants by methylphosphonate substituted substrates reveals the stereochemical course of site-specific DNA recombination

    OpenAIRE

    Rowley, Paul A.; Kachroo, Aashiq H.; Ma, Chien-Hui; Maciaszek, Anna D.; Guga, Piotr; Jayaram, Makkuni

    2015-01-01

    Tyrosine site-specific recombinases, which promote one class of biologically important phosphoryl transfer reactions in DNA, exemplify active site mechanisms for stabilizing the phosphate transition state. A highly conserved arginine duo (Arg-I; Arg-II) of the recombinase active site plays a crucial role in this function. Cre and Flp recombinase mutants lacking either arginine can be rescued by compensatory charge neutralization of the scissile phosphate via methylphosphonate (MeP) modificati...

  8. Surgical site infection in orthopedic implants and its common bacteria with their sensitivities to antibiotics, in open reduction internal fixation

    International Nuclear Information System (INIS)

    Shah, M.Q.; Zardad, M.S.; Khan, A.; Ahmed, S.; Awan, A. S.; Mohammad, T.

    2017-01-01

    Surgical site infection in orthopaedic implants is a major problem, causing long hospital stay, cost to the patient and is a burden on health care facilities. It increases rate of non-union, osteomyelitis, implant failure, sepsis, multiorgan dysfunction and even death. Surgical site infection is defined as pain, erythema, swelling and discharge from wound site. Surgical site infection in orthopaedic implants is more challenging to the treating orthopaedic surgeon as the causative organism is protected by a biofilm over the implant's surface. Antibiotics cannot cross this film to reach the bacteria's, causing infection. Method: This descriptive case series study includes 132 patients of both genders with ages between 13 years to 60 years conducted at Orthopaedic Unit, Ayub Medical College, Abbottabad from 1st October 2015 to 31st March 2016. Patients with close fractures of long bones were included in the study to determine the frequency of surgical site infection in orthopaedic implants and the type of bacteria involved and their sensitivity to various antibiotics. All implants were of stainless steel. The implants used were Dynamic hip screws, Dynamic compression screws, plates, k-wires, Interlocking nails, SIGN nails, Austin Moore prosthesis and tension band wires. Pre-op and post-op antibiotics used were combination of Sulbactum and Cefoperazone which was given 1 hour before surgery and continued for 72 hours after surgery. Patients were followed up to 4 weeks. Pus was taken on culture stick, from those who developed infection. Results were entered in the pro forma. Results: A total of 132 patients of long bone fractures, who were treated with open reduction and internal fixation, were studied. Only 7 patients developed infection. Staphylococcus Aureus was isolated from all 7 patients. Staphylococcus aureus was sensitive to Linezolid, Fusidic Acid, and vancomycin. Cotrimoxazole, tetracycline, Gentamycin and Clindamycin were partially effective. Conclusion

  9. Assessing debris flow activity in a changing climate : open access

    NARCIS (Netherlands)

    Turkington, T.; Remaitre, A.; Ettema, J.; Hussin, H.Y.; van Westen, C.J.

    2016-01-01

    Future trends in debris flow activity are constructed based on bias-corrected climate change projections using two meteorological proxies: daily precipitation and Convective Available Potential Energy (CAPE) combined with specific humidity for two Alpine areas. Along with a comparison between

  10. Expression of adhesion and activation molecules on lymphocytes during open-heart surgery with cardiopulmonary bypass

    DEFF Research Database (Denmark)

    Toft, P; Tønnesen, Else Kirstine; Zülow, I

    1997-01-01

    Open-heart surgery with cardiopulmonary bypass (CPB) and abdominal surgery are associated with lymphocytopenia. We measured a panel of adhesion and activation molecules on lymphocytes to clarify possible association of CPB with increased expression of these molecules. Eight patients undergoing open-heart...... open-heart and abdominal surgery. The proportion of CD11a/CD18-positive lymphocytes rose from 67.6 +/- 8% to 86.4 +/- 3% after aortic declamping (p open-heart as well as abdominal operations. Thus CPB...

  11. Number of active transcription factor binding sites is essential for the Hes7 oscillator

    Directory of Open Access Journals (Sweden)

    de Angelis Martin

    2006-02-01

    Full Text Available Abstract Background It is commonly accepted that embryonic segmentation of vertebrates is regulated by a segmentation clock, which is induced by the cycling genes Hes1 and Hes7. Their products form dimers that bind to the regulatory regions and thereby repress the transcription of their own encoding genes. An increase of the half-life of Hes7 protein causes irregular somite formation. This was shown in recent experiments by Hirata et al. In the same work, numerical simulations from a delay differential equations model, originally invented by Lewis, gave additional support. For a longer half-life of the Hes7 protein, these simulations exhibited strongly damped oscillations with, after few periods, severely attenuated the amplitudes. In these simulations, the Hill coefficient, a crucial model parameter, was set to 2 indicating that Hes7 has only one binding site in its promoter. On the other hand, Bessho et al. established three regulatory elements in the promoter region. Results We show that – with the same half life – the delay system is highly sensitive to changes in the Hill coefficient. A small increase changes the qualitative behaviour of the solutions drastically. There is sustained oscillation and hence the model can no longer explain the disruption of the segmentation clock. On the other hand, the Hill coefficient is correlated with the number of active binding sites, and with the way in which dimers bind to them. In this paper, we adopt response functions in order to estimate Hill coefficients for a variable number of active binding sites. It turns out that three active transcription factor binding sites increase the Hill coefficient by at least 20% as compared to one single active site. Conclusion Our findings lead to the following crucial dichotomy: either Hirata's model is correct for the Hes7 oscillator, in which case at most two binding sites are active in its promoter region; or at least three binding sites are active, in which

  12. Probing the active sites for CO dissociation on ruthenium nanoparticles

    DEFF Research Database (Denmark)

    Strebel, Christian Ejersbo; Murphy, Shane; Nielsen, Rasmus Munksgård

    2012-01-01

    affect the CO dissociation activity. The Ru nanoparticles were synthesized in a UHV chamber by gas-aggregation magnetron sputtering in the size range from 3 to 15 nm and the morphology was investigated in situ by scanning tunneling microscopy and ex situ by high resolution transmission electron...... microscopy. Surprisingly, it was found that larger particles were more active per surface area for CO dissociation. It is suggested that this is due to larger particles exposing a more rough surface than the smaller particles, giving rise to a higher relative amount of under-coordinated adsorption sites...... on the larger particles. The induced surface roughness is proposed to be a consequence of the growth processes in the gas-aggregation chamber....

  13. Study the active site of flavonoid applying radiation chemistry

    Energy Technology Data Exchange (ETDEWEB)

    Wu Jilan; Sun Gang; Zhang Fugen; He Yongke; Li Jiuqiang [Department of Technical Physics, Peking Univ., Beijing (China)

    2000-03-01

    Flavonoid are a large and important class of naturally occurring, low molecular weight benzo-{gamma}-pyrone derivatives which are reported to have a myriad of biological activities, but the study on the active sites of flavonoids is still ambiguous. In this paper, rutin, quercetin and baicalin have been selected as model compounds. It is well known that rutin is used in inhibiting arteriosclerosis and baicalin is antibacterial and antiviral. They have similar basic structure, but their medicinal properties are so different, why? As most flavonoids contain carbonyl group, which can capture electron effectively, we predict that flavonoids can capture electron to form radical anion. The formation of anion radical may have influence on the mitochondrial electron transport chain. The difference in the ability of forming anion radical may cause the difference in their medicinal effects. (author)

  14. Study the active site of flavonoid applying radiation chemistry

    International Nuclear Information System (INIS)

    Wu Jilan; Sun Gang; Zhang Fugen; He Yongke; Li Jiuqiang

    2000-01-01

    Flavonoid are a large and important class of naturally occurring, low molecular weight benzo-γ-pyrone derivatives which are reported to have a myriad of biological activities, but the study on the active sites of flavonoids is still ambiguous. In this paper, rutin, quercetin and baicalin have been selected as model compounds. It is well known that rutin is used in inhibiting arteriosclerosis and baicalin is antibacterial and antiviral. They have similar basic structure, but their medicinal properties are so different, why? As most flavonoids contain carbonyl group, which can capture electron effectively, we predict that flavonoids can capture electron to form radical anion. The formation of anion radical may have influence on the mitochondrial electron transport chain. The difference in the ability of forming anion radical may cause the difference in their medicinal effects. (author)

  15. Eel calcitonin binding site distribution and antinociceptive activity in rats

    International Nuclear Information System (INIS)

    Guidobono, F.; Netti, C.; Sibilia, V.; Villa, I.; Zamboni, A.; Pecile, A.

    1986-01-01

    The distribution of binding site for [ 125 I]-eel-calcitonin (ECT) to rat central nervous system, studied by an autoradiographic technique, showed concentrations of binding in the diencephalon, the brain stem and the spinal cord. Large accumulations of grains were seen in the hypothalamus, the amygdala, in the fasciculus medialis prosencephali, in the fasciculus longitudinalis medialis, in the ventrolateral part of the periventricular gray matter, in the lemniscus medialis and in the raphe nuclei. The density of grains in the reticular formation and in the nucleus tractus spinalis nervi trigemini was more moderate. In the spinal cord, grains were scattered throughout the dorsal horns. Binding of the ligand was displaced equally by cold ECT and by salmon CT(sCT), indicating that both peptides bind to the same receptors. Human CT was much weaker than sCT in displacing [ 125 I]-ECT binding. The administration of ECT into the brain ventricles of rats dose-dependently induced a significant and long-lasting enhancement of hot-plate latencies comparable with that obtained with sCT. The antinociceptive activity induced by ECT is compatible with the topographical distribution of binding sites for the peptide and is a further indication that fish CTs are active in the mammalian brain

  16. Flexibility Matters: Cooperative Active Sites in Covalent Organic Framework and Threaded Ionic Polymer.

    Science.gov (United States)

    Sun, Qi; Aguila, Briana; Perman, Jason; Nguyen, Nicholas; Ma, Shengqian

    2016-12-07

    The combination of two or more reactive centers working in concert on a substrate to facilitate the reaction is now considered state of the art in catalysis, yet there still remains a tremendous challenge. Few heterogeneous systems of this sort have been exploited, as the active sites spatially separated within the rigid framework are usually difficult to cooperate. It is now shown that this roadblock can be surpassed. The underlying principle of the strategy presented here is the integration of catalytic components with excellent flexibility and porous heterogeneous catalysts, as demonstrated by the placement of linear ionic polymers in close proximity to surface Lewis acid active sites anchored on the walls of a covalent organic framework (COF). Using the cycloaddition of the epoxides and CO 2 as a model reaction, dramatic activity improvements have been achieved for the composite catalysts in relation to the individual catalytic component. Furthermore, they also clearly outperform the benchmark catalytic systems formed by the combination of the molecular organocatalysts and heterogeneous Lewis acid catalysts, while affording additional recyclability. The extraordinary flexibility and enriched concentration of the catalytically active moieties on linear polymers facilitate the concerted catalysis, thus leading to superior catalytic performance. This work therefore uncovers an entirely new strategy for designing bifunctional catalysts with double-activation behavior and opens a new avenue in the design of multicapable systems that mimic biocatalysis.

  17. Characterizing the active opening of the eustachian tube in a hypobaric/hyperbaric pressure chamber.

    Science.gov (United States)

    Mikolajczak, Stefanie; Meyer, Moritz Friedo; Hahn, Moritz; Korthäuer, Christine; Jumah, Masen Dirk; Hüttenbrink, Karl-Bernd; Grosheva, Maria; Luers, Jan Christoffer; Beutner, Dirk

    2015-01-01

    Active and passive opening of the Eustachian tube (ET) enables direct aeration of the middle ear and a pressure balance between middle ear and the ambient pressure. The aim of this study was to characterize standard values for the opening pressure (ETOP), the opening frequency (ETOF), and the opening duration (ETOD) for active tubal openings (Valsalva maneuver, swallowing) in healthy participants. In a hypobaric/hyperbaric pressure chamber, 30 healthy participants (19 women, 11 men; mean age, 25.57 ± 3.33 years) were exposed to a standardized profile of compression and decompression. The pressure values were recorded via continuous impedance measurement during the Valsalva maneuver and swallowing. Based on the data, standard curves were identified and the ETOP, ETOD, and ETOF were determined. Recurring patterns of the pressure curve during active tube opening for the Valsalva maneuver and for active swallowing were characterized. The mean value for the Valsalva maneuver for ETOP was 41.21 ± 17.38 mbar; for the ETOD, it was 2.65 ± 1.87 seconds. In the active pressure compensation by swallowing, the mean value for the ETOP was 29.91 ± 13.07 mbar; and for the ETOD, it was 0.82 ± 0.53 seconds. Standard values for the opening pressure of the tube and the tube opening duration for active tubal openings (Valsalva maneuver, swallowing) were described, and typical curve gradients for healthy subjects could be shown. This is another step toward analyzing the function of the tube in compression and decompression.

  18. Expression of adhesion and activation molecules on lymphocytes during open-heart surgery with cardiopulmonary bypass

    DEFF Research Database (Denmark)

    Toft, P; Tønnesen, Else Kirstine; Zülow, I

    1997-01-01

    Open-heart surgery with cardiopulmonary bypass (CPB) and abdominal surgery are associated with lymphocytopenia. We measured a panel of adhesion and activation molecules on lymphocytes to clarify possible association of CPB with increased expression of these molecules. Eight patients undergoing open...... open-heart and abdominal surgery. The proportion of CD11a/CD18-positive lymphocytes rose from 67.6 +/- 8% to 86.4 +/- 3% after aortic declamping (p ... was associated with increased expression of the adhesion molecule CD11a/CD18 on lymphocytes, while the expression of activation molecules on lymphocytes was unchanged....

  19. Active living : the impact of renovating urban open spaces on increasing the level of physical activity among social groups

    NARCIS (Netherlands)

    Wiggers, Hiske; Shokoohi, Roya

    2017-01-01

    Introduction The provision of active parks/public open space is the key factor in promoting active living, because people and specially low-income and elderlies are being more interested in doing non-organized/informal, and no-cost sports/physical activities in outdoor spaces in recent decades

  20. Metal active site elasticity linked to activation of homocysteine in methionine synthases

    Energy Technology Data Exchange (ETDEWEB)

    Koutmos, Markos; Pejchal, Robert; Bomer, Theresa M.; Matthews, Rowena G.; Smith, Janet L.; Ludwig, Martha L. (Michigan)

    2008-04-02

    Enzymes possessing catalytic zinc centers perform a variety of fundamental processes in nature, including methyl transfer to thiols. Cobalamin-independent (MetE) and cobalamin-dependent (MetH) methionine synthases are two such enzyme families. Although they perform the same net reaction, transfer of a methyl group from methyltetrahydrofolate to homocysteine (Hcy) to form methionine, they display markedly different catalytic strategies, modular organization, and active site zinc centers. Here we report crystal structures of zinc-replete MetE and MetH, both in the presence and absence of Hcy. Structural investigation of the catalytic zinc sites of these two methyltransferases reveals an unexpected inversion of zinc geometry upon binding of Hcy and displacement of an endogenous ligand in both enzymes. In both cases a significant movement of the zinc relative to the protein scaffold accompanies inversion. These structures provide new information on the activation of thiols by zinc-containing enzymes and have led us to propose a paradigm for the mechanism of action of the catalytic zinc sites in these and related methyltransferases. Specifically, zinc is mobile in the active sites of MetE and MetH, and its dynamic nature helps facilitate the active site conformational changes necessary for thiol activation and methyl transfer.

  1. Differential active site loop conformations mediate promiscuous activities in the lactonase SsoPox.

    Directory of Open Access Journals (Sweden)

    Julien Hiblot

    Full Text Available Enzymes are proficient catalysts that enable fast rates of Michaelis-complex formation, the chemical step and products release. These different steps may require different conformational states of the active site that have distinct binding properties. Moreover, the conformational flexibility of the active site mediates alternative, promiscuous functions. Here we focused on the lactonase SsoPox from Sulfolobus solfataricus. SsoPox is a native lactonase endowed with promiscuous phosphotriesterase activity. We identified a position in the active site loop (W263 that governs its flexibility, and thereby affects the substrate specificity of the enzyme. We isolated two different sets of substitutions at position 263 that induce two distinct conformational sampling of the active loop and characterized the structural and kinetic effects of these substitutions. These sets of mutations selectively and distinctly mediate the improvement of the promiscuous phosphotriesterase and oxo-lactonase activities of SsoPox by increasing active-site loop flexibility. These observations corroborate the idea that conformational diversity governs enzymatic promiscuity and is a key feature of protein evolvability.

  2. Certification and beyond DINI open access activities in Germany

    CERN Multimedia

    CERN. Geneva; Scholze, Frank

    2005-01-01

    Local publication servers are common and at the same time highly fragmented in Germany. To bring them to greater success it is necessary to standardize further developments. DINI with its publication "Electronic Publishing in Higher Education" laid a foundation for a widespread introduction of general regulations and standards concerning electronic publishing and archiving of scientific documents in institutional repositories. The DINI-Certificate "Document and Publication Repositories" takes this a step further by clearly describing criteria, that will guarantee repositories to be set up and operated according to national standards and international developments. Repositories fulfilling these criteria may be awarded a certificate, testifying to their quality. The DINI certificate may also help their operators to market the institutional repository as a reliable service to support electronic publishing as well as self- archiving at their institution. In parallel to this quality of service activities DINI star...

  3. Wound edge protectors in open abdominal surgery to reduce surgical site infections: a systematic review and meta-analysis.

    Directory of Open Access Journals (Sweden)

    André L Mihaljevic

    Full Text Available Surgical site infections remain one of the most frequent complications following abdominal surgery and cause substantial costs, morbidity and mortality.To assess the effectiveness of wound edge protectors in open abdominal surgery in reducing surgical site infections.A systematic literature search was conducted according to a prespecified review protocol in a variety of data-bases combined with hand-searches for randomized controlled trials on wound edge protectors in patients undergoing laparotomy. A qualitative and quantitative analysis of included trials was conducted.We identified 16 randomized controlled trials including 3695 patients investigating wound edge protectors published between 1972 and 2014. Critical appraisal uncovered a number of methodological flaws, predominantly in the older trials. Wound edge protectors significantly reduced the rate of surgical site infections (risk ratio 0.65; 95%CI, 0.51-0.83; p = 0.0007; I2 = 52%. The results were robust in a number of sensitivity analyses. A similar effect size was found in the subgroup of patients undergoing colorectal surgery (risk ratio 0.65; 95%CI, 0.44-0.97; p = 0.04; I2 = 56%. Of the two common types of wound protectors double ring devices were found to exhibit a greater protective effect (risk ratio 0.29; 95%CI, 0.15-0.55 than single-ring devices (risk ratio 0.71; 95%CI, 0.54-0.92, but this might largely be due to the lower quality of available data for double-ring devices. Exploratory subgroup analyses for the degree of contamination showed a larger protective effect in contaminated cases (0.44; 95%CI, 0.28-0.67; p = 0.0002, I2 = 23% than in clean-contaminated surgeries (0.72, 95%CI, 0.57-0.91; p = 0.005; I2 = 46% and a strong effect on the reduction of superficial surgical site infections (risk ratio 0.45; 95%CI, 0.24-0.82; p = 0.001; I2 = 72%.Wound edge protectors significantly reduce the rate of surgical site infections in open abdominal surgery. Further trials are needed to

  4. Late Pleistocene steppe lion Panthera leo spelaea (Goldfuss, 1810) footprints and bone records from open air sites in northern Germany - Evidence of hyena-lion antagonism and scavenging in Europe

    Science.gov (United States)

    Diedrich, Cajus G.

    2011-07-01

    Bone remains and a trackway of Pantheraichnus bottropensis nov. ichg. ichnsp. of the Late Pleistocene lion Panthera leo spelaea ( Goldfuss, 1810) have been recovered from Bottrop and other open air sites in northern Germany. Some of these bones are from open air hyena den sites. A relative high proportion of lion bones (20%) exhibit bite, chew or nibble marks, or bone crushing and nibbling caused by a large carnivore. Repeated patterns of similar bone damage have been compared to bone remains found at hyena dens in gypsum karst areas and cave sites in northern Germany. Ice Age spotted hyenas have been the main antagonists and the main scavengers on lion carcasses. The remains appear to have been imported often by hyenas into their communal dens, supporting the theory of strong hyena-lion antagonism, similar to the well documented antagonism between modern African lions and spotted hyenas. Most of the lion bones from the open air hyena den at Bottrop are probably a result of such antagonism, as are the rare remains of these carnivores found within large hyena prey bone accumulations along the Pleistocene rivers. The Emscher River terrace also has the largest quantity of hyena remains from open air river terrace sites in northern Germany. Their cub remains, and incomplete chewed prey bones from mammoths and woolly rhinoceroses, typical of hyena activity, underline the character of these sites as cub-raising and communal dens, where their prey was accumulated along the riverbanks in a similar manner to modern African hyenas.

  5. Integrin activation dynamics between the RGD-binding site and the headpiece hinge.

    Science.gov (United States)

    Puklin-Faucher, Eileen; Vogel, Viola

    2009-12-25

    Integrins form mechanical links between the extracellular matrix and the cytoskeleton. Although integrin activation is known to be regulated by an allosteric conformational change, which can be induced from the extracellular or intracellular end of the molecule, little is known regarding the sequence of structural events by which signals propagate between distant sites. Here, we reveal with molecular dynamics simulations of the FnIII(10)-bound alpha(V)beta(3) integrin headpiece how the binding pocket and interdomain betaA/hybrid domain hinge on the distal end of the betaA domain are allosterically linked via a hydrophobic T-junction between the middle of the alpha1 helix and top of the alpha7 helix. The key results of this study are: 1) that this T-junction is induced by ligand binding and hinge opening, and thus displays bidirectionality; 2) that formation of this junction can be accelerated by ligand-mediated force; and 3) how formation of this junction is inhibited by Ca(2+) in place of Mg(2+) at the site adjacent to the metal ion-dependent adhesion site ("ADMIDAS"). Together with recent experimental evidence that integrin complexes can form catch bonds (i.e. become strengthened under force), as well as earlier evidence that Ca(2+) at the ADMIDAS results in lower binding affinity, these simulations provide a common structural model for the dynamic process by which integrins become activated.

  6. Integrin Activation Dynamics between the RGD-binding Site and the Headpiece Hinge*

    Science.gov (United States)

    Puklin-Faucher, Eileen; Vogel, Viola

    2009-01-01

    Integrins form mechanical links between the extracellular matrix and the cytoskeleton. Although integrin activation is known to be regulated by an allosteric conformational change, which can be induced from the extracellular or intracellular end of the molecule, little is known regarding the sequence of structural events by which signals propagate between distant sites. Here, we reveal with molecular dynamics simulations of the FnIII10-bound αVβ3 integrin headpiece how the binding pocket and interdomain βA/hybrid domain hinge on the distal end of the βA domain are allosterically linked via a hydrophobic T-junction between the middle of the α1 helix and top of the α7 helix. The key results of this study are: 1) that this T-junction is induced by ligand binding and hinge opening, and thus displays bidirectionality; 2) that formation of this junction can be accelerated by ligand-mediated force; and 3) how formation of this junction is inhibited by Ca2+ in place of Mg2+ at the site adjacent to the metal ion-dependent adhesion site (“ADMIDAS”). Together with recent experimental evidence that integrin complexes can form catch bonds (i.e. become strengthened under force), as well as earlier evidence that Ca2+ at the ADMIDAS results in lower binding affinity, these simulations provide a common structural model for the dynamic process by which integrins become activated. PMID:19762919

  7. Identifying high dose activities in industrial site radiography

    International Nuclear Information System (INIS)

    Heaton, B.

    2000-01-01

    Although the radiation doses received by industrial radiographers in the UK have progressively fallen over the last few years, with most now receiving less than 1 mSv/y, a few still receive, relative to the rest, much higher doses. As a percentage of all radiographers the number stays surprisingly constant from year to year. This paper describes a survey to identify the work causing these doses and suggest possible solutions. The UK Central Index of Dose Information was interrogated to identify the industrial radiography companies having staff (not necessarily the same person) with doses of greater than 5mSv/y in the last three years for which information was available. This was 15 in total. The people on the staff receiving these doses were identified and a questionnaire sent to the companies concerned requesting information about their work. A general questionnaire about the operation of the company was also included. With the agreement of the company these questionnaires were followed up by a visit to the company to interviews a number of the management and the radiographers if available. Both groups were generally very open about their problems and every discussion had a positive outcome. Several areas of work/reasons for the doses have been identified. These are: pipeline radiography, ultra sound radiographers working on nuclear reactors, complex plant work often with several teams in the area, inability to retreat from the wind out equipment due to height or access problems, site pressure to not follow the best practices and a lack of appreciation when a dose was being received or, alternatively, carelessness. Some o these problem areas are very difficult to resolve. However ways in which the Health and Safety can help influence the doses have been identified together with practical suggestions radiographers could adopt. These will be reported. (author)

  8. Active site loop conformation regulates promiscuous activity in a lactonase from Geobacillus kaustophilus HTA426.

    Directory of Open Access Journals (Sweden)

    Yu Zhang

    Full Text Available Enzyme promiscuity is a prerequisite for fast divergent evolution of biocatalysts. A phosphotriesterase-like lactonase (PLL from Geobacillus kaustophilus HTA426 (GkaP exhibits main lactonase and promiscuous phosphotriesterase activities. To understand its catalytic and evolutionary mechanisms, we investigated a "hot spot" in the active site by saturation mutagenesis as well as X-ray crystallographic analyses. We found that position 99 in the active site was involved in substrate discrimination. One mutant, Y99L, exhibited 11-fold improvement over wild-type in reactivity (kcat/Km toward the phosphotriesterase substrate ethyl-paraoxon, but showed 15-fold decrease toward the lactonase substrate δ-decanolactone, resulting in a 157-fold inversion of the substrate specificity. Structural analysis of Y99L revealed that the mutation causes a ∼6.6 Å outward shift of adjacent loop 7, which may cause increased flexibility of the active site and facilitate accommodation and/or catalysis of organophosphate substrate. This study provides for the PLL family an example of how the evolutionary route from promiscuity to specificity can derive from very few mutations, which promotes alteration in the conformational adjustment of the active site loops, in turn draws the capacity of substrate binding and activity.

  9. Active site architecture of a sugar N-oxygenase.

    Science.gov (United States)

    Thoden, James B; Branch, Megan C; Zimmer, Alex L; Bruender, Nathan A; Holden, Hazel M

    2013-05-14

    KijD3 is a flavin-dependent N-oxygenase implicated in the formation of the nitro-containing sugar d-kijanose, found attached to the antibiotic kijanimicin. For this investigation, the structure of KijD3 in complex with FMN and its dTDP-sugar substrate was solved to 2.1 Å resolution. In contrast to the apoenzyme structure, the C-terminus of the protein becomes ordered and projects into the active site cleft [Bruender, N. A., Thoden, J. B., and Holden, H. M. (2010) Biochemistry 49, 3517-3524]. The amino group of the dTDP-aminosugar that is oxidized is located 4.9 Å from C4a of the flavin ring. The model provides a molecular basis for understanding the manner in which KijD3 catalyzes its unusual chemical transformation.

  10. A Purple Cupredoxin from Nitrosopumilus maritimus Containing a Mononuclear Type 1 Copper Center with an Open Binding Site

    Energy Technology Data Exchange (ETDEWEB)

    Hosseinzadeh, Parisa; Tian, Shiliang; Marshall, Nicholas M.; Hemp, James; Mullen, Timothy; Nilges, Mark J.; Gao, Yi-Gui; Robinson, Howard; Stahl, David A.; Gennis, Robert B.; Lu, Yi

    2016-05-25

    Mononuclear cupredoxin proteins usually contain a coordinately saturated type 1 copper (T1Cu) center and function exclusively as electron carriers. Here we report a cupredoxin isolated from the nitrifying archaeon Nitrosopumilus maritimus SCM1, called Nmar1307, that contains a T1Cu center with an open binding site containing water. It displays a deep purple color due to strong absorptions around 413 nm (1880 M–1 cm–1) and 558 nm (2290 M–1 cm–1) in the UV–vis electronic spectrum. EPR studies suggest the protein contains two Cu(II) species of nearly equal population, one nearly axial, with hyperfine constant A∥ = 98 × 10–4 cm–1, and another more rhombic, with a smaller A∥ value of 69 × 10–4 cm–1. The X-ray crystal structure at 1.6 Å resolution confirms that it contains a Cu atom coordinated by two His and one Cys in a trigonal plane, with an axial H2O at 2.25 Å. Both UV–vis absorption and EPR spectroscopic studies suggest that the Nmar1307 can oxidize NO to nitrite, an activity that is attributable to the high reduction potential (354 mV vs SHE) of the copper site. These results suggest that mononuclear cupredoxins can have a wide range of structural features, including an open binding site containing water, making this class of proteins even more versatile.

  11. Open dumping of municipal solid waste and its hazardous impacts on soil and vegetation diversity at waste dumping sites of Islamabad city

    Directory of Open Access Journals (Sweden)

    Syeda Maria Ali

    2014-01-01

    Full Text Available Deteriorating soil quality and decrease in vegetation abundance are grave consequences of open waste dumping which have resulted in growing public concern. The focus of this study is to assess the contribution of open waste dumping in soil contamination and its effect on plant diversity in one of the renowned green cities of Pakistan. Surface soil samples (n = 12 + 12 were collected from both the open waste dumping areas allocated by Capital Development Authority (CDA and sub- sectors of H-belt of Islamabad city (representative of control site. The diversity of vegetation was studied at both sampling sites. Significant modifications were observed in the soil properties of the dumping sites. Soils at the disposal sites showed high pH, TDS and EC regime in comparison to control sites. Various heavy metal concentrations i.e., Lead (Pb, Copper (Cu, Nickel (Ni, Chromium (Cr and Zinc (Zn were also found to be higher at the dumping sites except for Cadmium (Cd which had a higher value in control site. A similar trend was observed in plant diversity. Control sites showed diversified variety of plants i.e., 44 plant species while this number reduced to only 32 plant species at the disposal sites. This is attributed to changes in soil characteristics at disposal sites and in its vicinity areas.

  12. Using internal coupling activities to enhance the effectiveness of open innovation

    DEFF Research Database (Denmark)

    Burcharth, Ana Luiza de Araújo; Knudsen, Mette Præst; Søndergaard, Helle Alsted

    This paper investigates the role of specific intra-organizational mechanisms in analyzing performance implications of openness by addressing two questions: does openness to innovation influence innovation performance? And if so, what organizational activities facilitate increased effectiveness...... of both inbound and outbound open innovation practices? The paper identifies a set of internal management mechanisms that allows the firm to couple the outside-in and inside-out knowledge flows in support of integrating external knowledge and internal competencies. The empirical basis of the study...... is a survey carried out in 321 Danish SMEs in manufacturing industries. The paper cannot substantiate the thus far, seemingly positive evidence of openness on innovation performance. Rather, the paper finds that inbound open innovation is related to the introduction of new products, whereas the adoption...

  13. Open field locomotor activity and anxiety-related behaviors in mucopolysaccharidosis type IIIA mice.

    Science.gov (United States)

    Lau, Adeline A; Crawley, Allison C; Hopwood, John J; Hemsley, Kim M

    2008-08-05

    Mucopolysaccharidosis (MPS) IIIA, or Sanfilippo syndrome, is a lysosomal storage disorder characterized by severe and progressive neuropathology. Following an asymptomatic period, patients may present with sleep disturbances, cognitive decline, aggressive tendencies and hyperactivity. A naturally-occurring mouse model of MPS IIIA also exhibits many of these behavioral features and has been recently back-crossed onto a C57BL/6 genetic background. To more thoroughly characterize the behavioral phenotype of congenic MPS IIIA mice, we assessed exploratory activity and unconditioned anxiety-related behavior in the elevated plus maze (EPM) and open field locomotor activity. Although MPS IIIA male mice were less active in the EPM at 18 and 20 weeks of age, they were more likely to explore the open arms than their normal counter-parts suggesting reduced anxiety. Repeated EPM testing reduced exploration of the open arms in MPS IIIA mice. In the open field test, significant reductions in activity were evident in naïve-tested male MPS IIIA mice from 10 weeks of age. Female normal and MPS IIIA mice displayed similar exploratory activity in the open field test. These differences in anxiety and locomotor activity will allow us to evaluate the efficacy of therapeutic regimes for MPS IIIA as a forerunner to developing safe and effective therapies for Sanfilippo patients.

  14. Entrapment of metal clusters in metal-organic framework channels by extended hooks anchored at open metal sites.

    Science.gov (United States)

    Zheng, Shou-Tian; Zhao, Xiang; Lau, Samuel; Fuhr, Addis; Feng, Pingyun; Bu, Xianhui

    2013-07-17

    Reported here are the new concept of utilizing open metal sites (OMSs) for architectural pore design and its practical implementation. Specifically, it is shown here that OMSs can be used to run extended hooks (isonicotinates in this work) from the framework walls to the channel centers to effect the capture of single metal ions or clusters, with the concurrent partitioning of the large channel spaces into multiple domains, alteration of the host-guest charge relationship and associated guest-exchange properties, and transfer of OMSs from the walls to the channel centers. The concept of the extended hook, demonstrated here in the multicomponent dual-metal and dual-ligand system, should be generally applicable to a range of framework types.

  15. Zymogen Activation and Subcellular Activity of Subtilisin Kexin Isozyme 1/Site 1 Protease*

    Science.gov (United States)

    da Palma, Joel Ramos; Burri, Dominique Julien; Oppliger, Joël; Salamina, Marco; Cendron, Laura; de Laureto, Patrizia Polverino; Seidah, Nabil Georges; Kunz, Stefan; Pasquato, Antonella

    2014-01-01

    The proprotein convertase subtilisin kexin isozyme 1 (SKI-1)/site 1 protease (S1P) plays crucial roles in cellular homeostatic functions and is hijacked by pathogenic viruses for the processing of their envelope glycoproteins. Zymogen activation of SKI-1/S1P involves sequential autocatalytic processing of its N-terminal prodomain at sites B′/B followed by the herein newly identified C′/C sites. We found that SKI-1/S1P autoprocessing results in intermediates whose catalytic domain remains associated with prodomain fragments of different lengths. In contrast to other zymogen proprotein convertases, all incompletely matured intermediates of SKI-1/S1P showed full catalytic activity toward cellular substrates, whereas optimal cleavage of viral glycoproteins depended on B′/B processing. Incompletely matured forms of SKI-1/S1P further process cellular and viral substrates in distinct subcellular compartments. Using a cell-based sensor for SKI-1/S1P activity, we found that 9 amino acid residues at the cleavage site (P1–P8) and P1′ are necessary and sufficient to define the subcellular location of processing and to determine to what extent processing of a substrate depends on SKI-1/S1P maturation. In sum, our study reveals novel and unexpected features of SKI-1/S1P zymogen activation and subcellular specificity of activity toward cellular and pathogen-derived substrates. PMID:25378398

  16. Crystal structure of snake venom acetylcholinesterase in complex with inhibitory antibody fragment Fab410 bound at the peripheral site: evidence for open and closed states of a back door channel.

    Science.gov (United States)

    Bourne, Yves; Renault, Ludovic; Marchot, Pascale

    2015-01-16

    The acetylcholinesterase found in the venom of Bungarus fasciatus (BfAChE) is produced as a soluble, non-amphiphilic monomer with a canonical catalytic domain but a distinct C terminus compared with the other vertebrate enzymes. Moreover, the peripheral anionic site of BfAChE, a surface site located at the active site gorge entrance, bears two substitutions altering sensitivity to cationic inhibitors. Antibody Elec410, generated against Electrophorus electricus acetylcholinesterase (EeAChE), inhibits EeAChE and BfAChE by binding to their peripheral sites. However, both complexes retain significant residual catalytic activity, suggesting incomplete gorge occlusion by bound antibody and/or high frequency back door opening. To explore a novel acetylcholinesterase species, ascertain the molecular bases of inhibition by Elec410, and document the determinants and mechanisms for back door opening, we solved a 2.7-Å resolution crystal structure of natural BfAChE in complex with antibody fragment Fab410. Crystalline BfAChE forms the canonical dimer found in all acetylcholinesterase structures. Equally represented open and closed states of a back door channel, associated with alternate positions of a tyrosine phenol ring at the active site base, coexist in each subunit. At the BfAChE molecular surface, Fab410 is seated on the long Ω-loop between two N-glycan chains and partially occludes the gorge entrance, a position that fully reflects the available mutagenesis and biochemical data. Experimentally based flexible molecular docking supports a similar Fab410 binding mode onto the EeAChE antigen. These data document the molecular and dynamic peculiarities of BfAChE with high frequency back door opening, and the mode of action of Elec410 as one of the largest peptidic inhibitors targeting the acetylcholinesterase peripheral site. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

  17. Glymphatic stasis at the site of the lamina cribrosa as a potential mechanism underlying open-angle glaucoma.

    Science.gov (United States)

    Wostyn, Peter; Killer, Hanspeter Esriel; De Deyn, Peter Paul

    2017-07-01

    The underlying pathophysiology of primary open-angle glaucoma remains unclear, but the lamina cribrosa seems to be the primary site of injury, and raised intraocular pressure is a major risk factor. In recent years, a decreased intracranial pressure, leading to an abnormally high trans-lamina cribrosa pressure difference, has gained interest as a new risk factor for glaucoma. New research now lends support to the hypothesis that a paravascular transport system is present in the eye analogous to the recently discovered 'glymphatic system' in the brain, which is a functional waste clearance pathway that promotes elimination of interstitial solutes, including β-amyloid, from the brain along paravascular channels. Given that β-amyloid has been reported to increase by chronic elevation of intraocular pressure in glaucomatous animal models and to cause retinal ganglion cell death, the discovery of a paravascular clearance system in the eye may provide powerful new insights into the pathophysiology of primary open-angle glaucoma. In this review, we provide a new conceptual framework for understanding the pathogenesis of primary open-angle glaucoma, present supporting preliminary data from our own post-mortem study and hypothesize that the disease may result from restriction of normal glymphatic flow at the level of the lamina cribrosa owing to a low intracranial pressure and/or a high trans-lamina cribrosa pressure gradient. If confirmed, this viewpoint could offer new perspectives for the development of novel diagnostic and therapeutic strategies for this devastating disorder. © 2017 Royal Australian and New Zealand College of Ophthalmologists.

  18. Exposure to atmospheric pms, pahs, pcdd/fs and metals near an open air waste burning site in Beirut

    Directory of Open Access Journals (Sweden)

    Rima Baalbaki

    2016-12-01

    Full Text Available Baalbaki, R., El Hage, R., Nassar, J., Gerard, J., Saliba, N.B., Zaarour, R., Abboud, M., Wehbeh, F., Khalaf, L.K., Shihadeh, A.L., Saliba, N.A. 2016. Exposure to atmospheric PMS, PAHS, PCDD/FS and metals near an open air waste burning site in Beirut. Lebanese Science Journal, 17(2: 91-103. Since July 2015, Lebanon has experienced the worst solid waste management crisis in its history. Consequently, open-air waste burning in the vicinity of highly populated areas in Beirut has become a common practice. This study evaluates the effects of open-air dumping and burning on local air quality and public health. The levels of particulate matter (PM10, PM2.5, gaseous and particle-bound polycyclic aromatic hydrocarbons (PAHs, polychlorinated dibenzo-dioxins and furans (PCDD/Fs, and particle-bound metals at a residence close to waste burning are reported. Concentrations, determined between October 2 and December 2, 2015, were compared either to previous measurements or to measurements taken away from a nearby burning incident, and after it had rained. Subsequently, the cancer risk due to exposure to these chemicals was assessed. Results showed alarming increases in pollutant concentrations which was translated into an increase in short-term cancer risk from about 1 to 20 people per million on the days when waste was being burned. Findings were shared with the public to warn the community against the dangers of waste mismanagement, and underline the obvious need for solid waste management at the governmental and municipal levels.

  19. Annual variation in canopy openness, air temperature and humidity inthe understory of three forested sites in southern Bahia State, Brazil

    Directory of Open Access Journals (Sweden)

    Marayana Prado Pinheiro

    2013-01-01

    Full Text Available Aiming at contributing to the knowledge of physical factors affecting community structure in Atlantic Forest remnants of southern Bahia state, Brazil, we analyzed the annual variation in the understory microclimate of a hillside forest fragment in the ‘Reserva Particular do Patrimônio Natural Serra do Teimoso’ (RST and a rustic cacao agroforestry system (Cabruca, located nearby the RST. Canopy openness (CO, air temperature (Ta, air relative humidity (RH and vapor pressure deficit (VPD data were collected between April, 2005 and April, 2006 at the base (RSTB, 340 m and the top (RSTT, 640 m of the RST and at the Cabruca (CB, 250 m. Data of rainfall, Ta, RH and VPD were also collected in an open area (OA, 270 m. The highest rainfalls (> 100 mm occurred in November, 2005 and April, 2006, whereas October, 2005 was the driest month (< 20 mm. CO ranged between 2.5 % in the CB (April, 2006 and 7.7 % in the RST (October, 2005. Low rainfall in October, 2005 affected VPDmax in all sites. Those effects were more pronounced in OA, followed by CB, RSTB and RSTT. During the period of measurements, the values of Ta, RH and VPD in CB were closer to the values measured in OA than to the values measured inside the forest.

  20. Incidence and risk factors for surgical site infection after open reduction and internal fixation of tibial plateau fracture: A systematic review and meta-analysis.

    Science.gov (United States)

    Shao, Jiashen; Chang, Hengrui; Zhu, Yanbin; Chen, Wei; Zheng, Zhanle; Zhang, Huixin; Zhang, Yingze

    2017-05-01

    This study aimed to quantitatively summarize the risk factors associated with surgical site infection after open reduction and internal fixation of tibial plateau fracture. Medline, Embase, CNKI, Wanfang database and Cochrane central database were searched for relevant original studies from database inception to October 2016. Eligible studies had to meet quality assessment criteria according to the Newcastle-Ottawa Scale, and had to evaluate the risk factors for surgical site infection after open reduction and internal fixation of tibial plateau fracture. Stata 11.0 software was used for this meta-analysis. Eight studies involving 2214 cases of tibial plateau fracture treated by open reduction and internal fixation and 219 cases of surgical site infection were included in this meta-analysis. The following parameters were identified as significant risk factors for surgical site infection after open reduction and internal fixation of tibial plateau fracture (p operative time (OR 2.15; 95% CI 1.53-3.02), tobacco use (OR 2.13; 95% CI 1.13-3.99), and external fixation (OR 2.07; 95% CI 1.05-4.09). Other factors, including male sex, were not identified as risk factors for surgical site infection. Patients with the abovementioned medical conditions are at risk of surgical site infection after open reduction and internal fixation of tibial plateau fracture. Surgeons should be cognizant of these risks and give relevant preoperative advice. Copyright © 2017. Published by Elsevier Ltd.

  1. Integration of open metal sites and Lewis basic sites for construction of a Cu MOF with rare chiral Oh type of cage for high performance of methane purification

    KAUST Repository

    Shi, Zhan; Meng, Lingkun; Niu, Ziyuan; Liang, Chen; Dong, Xinglong; Liu, Kang; Li, Guanghua; Li, Chunguang; Han, Yu; Feng, Shouhua

    2018-01-01

    A Cu MOF [Cu4(PMTD)2(H2O)3]·20H2O, 1, (Where PMTD is (1,4-phenylenebis(5-methyl-4H-1,2,4-triazole-3,4-diyl)bis(5-carboxylato-3,1-phenylene)bis(hydroperoxymethanide) with rare chiral Oh type of cage and dual functionalities of open metal sites and Lewis basic sites based on a designed U-shaped ligand was synthesized by hydrothermal method. It exhibits high-capacity of CO2, C2 and C3 hydrocarbon storage capacity under atmospheric pressure as well as high H2 (1.96% wt) adsorption capacity at 77K. Methane purification capacity was tested and verified step by step. Isosteric heats (Qst) study reveals that CH4 has the weakest van der Waals host- guest interactions among the seven gases at 298K. Ideal adsorbed solution theory (IAST) calculation reveals that compound 1 is more selective toward CO2, C2H6 and C3H8 over CH4 in further calculating its separation capacity, as exemplified for CO2/CH4 (50:50, 5:95), C2H6/CH4 (50:50, 5:95) or C3H8/CH4 (50:50, 5:95) binary gas mixtures. Breakthrough experiments show that 1 has a significantly higher adsorption capacity for CO2, C2H6 and C3H8 than CH4. The selective adsorption properties of 1 make it a promising candidate for methane purification.

  2. Integration of open metal sites and Lewis basic sites for construction of a Cu MOF with rare chiral Oh type of cage for high performance of methane purification

    KAUST Repository

    Shi, Zhan

    2018-01-18

    A Cu MOF [Cu4(PMTD)2(H2O)3]·20H2O, 1, (Where PMTD is (1,4-phenylenebis(5-methyl-4H-1,2,4-triazole-3,4-diyl)bis(5-carboxylato-3,1-phenylene)bis(hydroperoxymethanide) with rare chiral Oh type of cage and dual functionalities of open metal sites and Lewis basic sites based on a designed U-shaped ligand was synthesized by hydrothermal method. It exhibits high-capacity of CO2, C2 and C3 hydrocarbon storage capacity under atmospheric pressure as well as high H2 (1.96% wt) adsorption capacity at 77K. Methane purification capacity was tested and verified step by step. Isosteric heats (Qst) study reveals that CH4 has the weakest van der Waals host- guest interactions among the seven gases at 298K. Ideal adsorbed solution theory (IAST) calculation reveals that compound 1 is more selective toward CO2, C2H6 and C3H8 over CH4 in further calculating its separation capacity, as exemplified for CO2/CH4 (50:50, 5:95), C2H6/CH4 (50:50, 5:95) or C3H8/CH4 (50:50, 5:95) binary gas mixtures. Breakthrough experiments show that 1 has a significantly higher adsorption capacity for CO2, C2H6 and C3H8 than CH4. The selective adsorption properties of 1 make it a promising candidate for methane purification.

  3. Evidence for extreme divergence of open field lines from solar activity

    International Nuclear Information System (INIS)

    Dulk, G.A.; Suzuki, S.; Melrose, D.B.

    1979-01-01

    This paper reviews the evidence on the structure of the open magnetic field lines that emerge from solar active regions into interplanetary space. The evidence comes mainly from the measured sizes, positions and polarization of Type III and Type V bursts, and from electron streams observed from space. It is found that the observations are best interpreted in terms of a strongly-diverging field topology, with the open field lines filling a cone of angle approx. 60 0

  4. Hydralazine-induced vasodilation involves opening of high conductance Ca2+-activated K+ channels

    DEFF Research Database (Denmark)

    Bang, Lone; Nielsen-Kudsk, J E; Gruhn, N

    1998-01-01

    The purpose of this study was to investigate whether high conductance Ca2+-activated K+ channels (BK(Ca)) are mediating the vasodilator action of hydralazine. In isolated porcine coronary arteries, hydralazine (1-300 microM), like the K+ channel opener levcromakalim, preferentially relaxed......M) suppressed this response by 82% (P opening of BK(Ca) takes part in the mechanism whereby...

  5. Rehabilitation with pasture after open-cut coal mining at three sites in the Bowen Coal Basin of Queensland

    Energy Technology Data Exchange (ETDEWEB)

    Coaldrake, J E

    1978-03-01

    Open-cut coal mining in the Bowen Coal Basin leaves piled heaps of overburden, chiefly of a clayey nature, that have high pH, high salinity, and low contents of phosphorus and nitrogen. It is likely that pastures of introduced sub- tropical species can be used as a first stage in rehabilitating these areas, and possibly to convert them into permanent grazing lands. In field experiments the grasses Cenchrus ciliaris cv. Biloela (Buffel grass), Chloris gayana cv. Pioneer (Rhodes grass) and Panicum maximum var. trichoglume cv. Petrie (green panic) all showed satisfactory establishment and growth at two sites out of three tested. There was a clear response to superphosphate, with 400 kg/ha proving better over a two-year period than 100 kg/ha. Responses to nitrogen (as ammonium sulphate and as ammonium nitrate) were variable, and there was no response to gypsum and manganese at the one site tested for them. Of three tropical legumes subjected to limited testing only leucaena leucocephala gave encouraging results.

  6. Spatial, Hysteretic, and Adaptive Host-Guest Chemistry in a Metal-Organic Framework with Open Watson-Crick Sites.

    Science.gov (United States)

    Cai, Hong; Li, Mian; Lin, Xiao-Rong; Chen, Wei; Chen, Guang-Hui; Huang, Xiao-Chun; Li, Dan

    2015-09-01

    Biological and artificial molecules and assemblies capable of supramolecular recognition, especially those with nucleobase pairing, usually rely on autonomous or collective binding to function. Advanced site-specific recognition takes advantage of cooperative spatial effects, as in local folding in protein-DNA binding. Herein, we report a new nucleobase-tagged metal-organic framework (MOF), namely ZnBTCA (BTC=benzene-1,3,5-tricarboxyl, A=adenine), in which the exposed Watson-Crick faces of adenine residues are immobilized periodically on the interior crystalline surface. Systematic control experiments demonstrated the cooperation of the open Watson-Crick sites and spatial effects within the nanopores, and thermodynamic and kinetic studies revealed a hysteretic host-guest interaction attributed to mild chemisorption. We further exploited this behavior for adenine-thymine binding within the constrained pores, and a globally adaptive response of the MOF host was observed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Moving targets: Promoting physical activity in public spaces via open streets in the US.

    Science.gov (United States)

    Hipp, J Aaron; Bird, Alyssa; van Bakergem, Margaret; Yarnall, Elizabeth

    2017-10-01

    Popularity of Open Streets, temporarily opening streets to communities and closing streets to vehicles, in the US has recently surged. As of January 2016, 122 cities have hosted an Open Streets program. Even with this great expansion, the sustainability of Open Streets remains a challenge in many cities and overall Open Streets in the US differ from their successful counterparts in Central and South America. Between summer 2015 and winter 2016, we reviewed the websites and social media of the 122 identified programs and interviewed 32 unique Open Streets programs. Websites and social media were reviewed for program initiation, number of Open Streets days, length of routes, duration of program, and reported participation. Interview questions focused on barriers and facilitators of expanding Open Streets and specific questioning regarding local evaluation activities. All interviews were transcribed verbatim and analyzed with constant comparative methodology. Over three-quarters of US Open Streets programs have been initiated since 2010, with median frequency of one time per year, 4h per date, and 5000-9999 participants. Seventy-seven percent of program routes are under 5km in length. Success of programs was measured by enthusiasm, attendance, social media, survey metrics, and sustainability. Thirteen of 32 program organizers expressed interest in expanding their programs to 12 dates per year, but noted consistent barriers to expansion including funding, permitting, and branding. Though many cities now host Open Streets programs, their ability to effect public health remains limited with few program dates per year. Coordinated efforts, especially around funding, permitting, and branding may assist in expanding program dates. Copyright © 2016 Elsevier Inc. All rights reserved.

  8. The effect of human activity noise on the acoustic quality in open plan office

    DEFF Research Database (Denmark)

    Dehlbæk, Tania Stenholt; Jeong, Cheol-Ho; Brunskog, Jonas

    2016-01-01

    A disadvantage of open plan offices is the noise annoyance. Noise problems in open plan offices have been dealt with in several studies, and standards have been set up. Still, what has not been taken into account is the effect of human activity noise on acoustic conditions. In this study......, measurements of the general office noise levels and the room acoustic conditions according to ISO 3382-3 have been carried out in five open plan offices. Probability density functions of the sound pressure level have been obtained, and the human activity noise has been identified. Results showed a decrease...... in STI-values including the human activity noise compared to STI-values including only technical background noise as the standard recommends. Furthermore, at 500 Hz a regression analysis showed that the density of people in an room, absorption area, reverberation time as well as the ISO 3382-3 parameter...

  9. Modelling Active Faults in Probabilistic Seismic Hazard Analysis (PSHA) with OpenQuake: Definition, Design and Experience

    Science.gov (United States)

    Weatherill, Graeme; Garcia, Julio; Poggi, Valerio; Chen, Yen-Shin; Pagani, Marco

    2016-04-01

    The Global Earthquake Model (GEM) has, since its inception in 2009, made many contributions to the practice of seismic hazard modeling in different regions of the globe. The OpenQuake-engine (hereafter referred to simply as OpenQuake), GEM's open-source software for calculation of earthquake hazard and risk, has found application in many countries, spanning a diversity of tectonic environments. GEM itself has produced a database of national and regional seismic hazard models, harmonizing into OpenQuake's own definition the varied seismogenic sources found therein. The characterization of active faults in probabilistic seismic hazard analysis (PSHA) is at the centre of this process, motivating many of the developments in OpenQuake and presenting hazard modellers with the challenge of reconciling seismological, geological and geodetic information for the different regions of the world. Faced with these challenges, and from the experience gained in the process of harmonizing existing models of seismic hazard, four critical issues are addressed. The challenge GEM has faced in the development of software is how to define a representation of an active fault (both in terms of geometry and earthquake behaviour) that is sufficiently flexible to adapt to different tectonic conditions and levels of data completeness. By exploring the different fault typologies supported by OpenQuake we illustrate how seismic hazard calculations can, and do, take into account complexities such as geometrical irregularity of faults in the prediction of ground motion, highlighting some of the potential pitfalls and inconsistencies that can arise. This exploration leads to the second main challenge in active fault modeling, what elements of the fault source model impact most upon the hazard at a site, and when does this matter? Through a series of sensitivity studies we show how different configurations of fault geometry, and the corresponding characterisation of near-fault phenomena (including

  10. Characterization of Active Site Residues of Nitroalkane Oxidase†

    Science.gov (United States)

    Valley, Michael P.; Fenny, Nana S.; Ali, Shah R.; Fitzpatrick, Paul F.

    2010-01-01

    The flavoenzyme nitroalkane oxidase catalyzes the oxidation of primary and secondary nitrolkanes to the corresponding aldehydes and ketones plus nitrite. The structure of the enzyme shows that Serl71 forms a hydrogen bond to the flavin N5, suggesting that it plays a role in catalysis. Cys397 and Tyr398 were previously identified by chemical modification as potential active site residues. To more directly probe the roles of these residues, the S171A, S171V, S171T, C397S, and Y398F enzymes have been characterized with nitroethane as substrate. The C397S and Y398 enzymes were less stable than the wild-type enzyme, and the C397S enzyme routinely contained a substoichiometric amount of FAD. Analysis of the steady-state kinetic parameters for the mutant enzymes, including deuterium isotope effects, establishes that all of the mutations result in decreases in the rate constants for removal of the substrate proton by ~5-fold and decreases in the rate constant for product release of ~2-fold. Only the S171V and S171T mutations alter the rate constant for flavin oxidation. These results establish that these residues are not involved in catalysis, but rather are required for maintaining the protein structure. PMID:20056514

  11. Characterization of active site residues of nitroalkane oxidase.

    Science.gov (United States)

    Valley, Michael P; Fenny, Nana S; Ali, Shah R; Fitzpatrick, Paul F

    2010-06-01

    The flavoenzyme nitroalkane oxidase catalyzes the oxidation of primary and secondary nitroalkanes to the corresponding aldehydes and ketones plus nitrite. The structure of the enzyme shows that Ser171 forms a hydrogen bond to the flavin N5, suggesting that it plays a role in catalysis. Cys397 and Tyr398 were previously identified by chemical modification as potential active site residues. To more directly probe the roles of these residues, the S171A, S171V, S171T, C397S, and Y398F enzymes have been characterized with nitroethane as substrate. The C397S and Y398 enzymes were less stable than the wild-type enzyme, and the C397S enzyme routinely contained a substoichiometric amount of FAD. Analysis of the steady-state kinetic parameters for the mutant enzymes, including deuterium isotope effects, establishes that all of the mutations result in decreases in the rate constants for removal of the substrate proton by approximately 5-fold and decreases in the rate constant for product release of approximately 2-fold. Only the S171V and S171T mutations alter the rate constant for flavin oxidation. These results establish that these residues are not involved in catalysis, but rather are required for maintaining the protein structure. 2009 Elsevier Inc. All rights reserved.

  12. Active site labeling of the guanine-7-methyltransferase

    International Nuclear Information System (INIS)

    Streaker, E.; Sitz, T.O.

    1992-01-01

    Studies on the guanine-7-methyltransferase have defined three domains in the active site: the S-adenosylmethionine (SAM) region, the cap region (GpppG), and the RNA binding domain (--NpNpNpNpNp---). The authors attempted to label the SAM binding domain by a photoaffinity label using 8-azido-SAM and another method using 3 H-SAM and long exposures to uv-light. Neither method was successful. The next approach was to attempt to label the cap-RNA binding domain (GpppGpNpNpNpNpN) by synthesizing RNA containing 8-azido-Ap using an in vitro transcription system and T7 RNA polymerase. The 8-azido-ATP inhibited the T7 RNA polymerase preventing the synthesis of RNA. As they were unable to synthesize the photoaffinity label, they next tried to synthesize an end labeled RNA and directly label by long exposures to uv-light. When the enzyme was incubated with 32 P-labeled RNA for 15 min at 37 degrees and then exposed to a germicidal lamp for various times at O degrees, optimal labeling occurred after 45 min. Various enzyme preparations were labeled by this method and two polypeptides were found to specifically bind the non-methylated mRNA analog. This labeling method should allow characterization of the subunit structure and generate information about the nature of the RNA binding domain

  13. PCBs and PCDD/Fs in soil from informal e-waste recycling sites and open dumpsites in India: Levels, congener profiles and health risk assessment.

    Science.gov (United States)

    Chakraborty, Paromita; Selvaraj, Sakthivel; Nakamura, Masafumi; Prithiviraj, Balasubramanian; Cincinelli, Alessandra; Bang, John J

    2018-04-15

    Growth of informal electronic waste (e-waste) recycling sector is an emerging problem for India. The presence of halogenated compounds in e-wastes may result in the formation of persistent organic pollutants like polychlorinated biphenyls (PCBs), polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs) during recycling processes. We therefore investigated PCBs and PCDD/Fs in surface soils explicitly from the informal e-waste recycling sites and nearby open dumpsites of major metropolitan cities from four corners of India, viz., New Delhi (North), Kolkata (East), Mumbai (West) and Chennai (South). In the informal e-waste recycling sites, the range of Σ 26 PCBs (0.4-488ng/g) and ƩPCDD/Fs (1.0-10.6ng/g) were higher than Ʃ 26 PCBs (0.3-21ng/g) and ƩPCDD/Fs (0.15-7.3ng/g) from open dumpsites. In the e-waste sites, ƩPCDDs were found with increasing trend from ƩTetraCDD to OctaCDD, whereas ƩPCDFs showed a reverse trend. The dominance of PCDF congeners and maximum toxicity equivalents (TEQ) for both PCDDs (17pg TEQ/g) and PCDFs (82pg TEQ/g) at Mandoli in New Delhi has been related to intensive precious metal recovery process using acid bath. Among dumpsites, highest TEQ for PCDD/Fs was observed at Kodangaiyur dumpsite of Chennai (CN DS -02, 45pg TEQ/g). Positive Matrix Factorization (PMF) model identified distinct congener pattern based on the functional activities, such as e-waste dismantling, shredding, precious metal recovery and open burning in dumpsites. E-waste metal recovery factor was loaded with 86-91% of PCB-77, -105, -114, -118 and 30% of PCB-126, possibly associated with the burning of wires during the copper extraction process. Almost 70% of the Ʃ 26 PCB concentrations was comprised of the dioxin-like PCB congeners with a maximum concentration of 437ng/g at New Moore market in Chennai, followed by Wire Lane (102ng/g), in Mumbai. We speculate that PCB-126 might have resulted from combustion of plastic materials in e-waste stream and dumped waste

  14. Finnsjoen study site. Scope of activities and main results

    International Nuclear Information System (INIS)

    Ahlbom, K.; Andersson, J.E.; Andersson, Peter; Ittner, T.; Tiren, S.; Ljunggren, C.

    1992-12-01

    The Finnsjoen study site was selected in 1977 to provide input to the KBS-1 and KBS-2 performance assessments. The site was later used as a test site for testing new instruments and new site characterization methods, as well as a research site for studying mainly groundwater flow and groundwater transport. All together, the Finnsjoen studies have involved 11 cored boreholes, down to max 700 m depth, and extensive borehole geophysical, geochemical and geohydraulic measurements, as well as rock stress measurements and tracer tests. This report presents the scope of the Finnsjoen studies together with main results. Conceptual uncertainties in assumptions and models are discussed with emphasis on the models used for the performance assessment SKB91. Of special interest for the Finnsjoen study site is the strong influence caused by a subhorizontal fracture zone on groundwater flow, transport and chemistry

  15. Experimental warming differentially affects microbial structure and activity in two contrasted moisture sites in a Sphagnum-dominated peatland.

    Science.gov (United States)

    Delarue, Frédéric; Buttler, Alexandre; Bragazza, Luca; Grasset, Laurent; Jassey, Vincent E J; Gogo, Sébastien; Laggoun-Défarge, Fatima

    2015-04-01

    Several studies on the impact of climate warming have indicated that peat decomposition/mineralization will be enhanced. Most of these studies deal with the impact of experimental warming during summer when prevalent abiotic conditions are favorable to decomposition. Here, we investigated the effect of experimental air warming by open-top chambers (OTCs) on water-extractable organic matter (WEOM), microbial biomasses and enzymatic activities in two contrasted moisture sites named Bog and Fen sites, the latter considered as the wetter ones. While no or few changes in peat temperature and water content appeared under the overall effect of OTCs, we observed that air warming smoothed water content differences and led to a decrease in mean peat temperature at the warmed Bog sites. This thermal discrepancy between the two sites led to contrasting changes in microbial structure and activities: a rise in hydrolytic activity at the warmed Bog sites and a relative enhancement of bacterial biomass at the warmed Fen sites. These features were not associated with any change in WEOM properties namely carbon and sugar contents and aromaticity, suggesting that air warming did not trigger any shift in OM decomposition. Using various tools, we show that the use of single indicators of OM decomposition can lead to fallacious conclusions. Lastly, these patterns may change seasonally as a consequence of complex interactions between groundwater level and air warming, suggesting the need to improve our knowledge using a high time-resolution approach. Copyright © 2015 Elsevier B.V. All rights reserved.

  16. Surface binding sites in carbohydrate active enzymes: An emerging picture of structural and functional diversity

    DEFF Research Database (Denmark)

    Svensson, Birte; Cockburn, Darrell

    2013-01-01

    is not universal and is in fact rare among some families of enzymes. In some cases an alternative to possessing a CBM is for the enzyme to bind to the substrate at a site on the catalytic domain, but away from the active site. Such a site is termed a surface (or secondary) binding site (SBS). SBSs have been...

  17. Poisoning Experiments Aimed at Discriminating Active and Less-Active Sites of Silica-Supported Tantalum Hydride for Alkane Metathesis

    KAUST Repository

    Saggio, Guillaume; Taoufik, Mostafa; Basset, Jean-Marie; Thivolle-Cazat, Jean

    2010-01-01

    Only 50% of the silica-supported tantalum hydride sites are active in the metathesis of propane. Indeed, more than 45% of the tantalum hydride can be eliminated by a selective oxygen poisoning of inactive sites with no significant decrease

  18. Robotics and Automation Activities at the Savannah River Site: A Site Report for SUBWOG 39F

    International Nuclear Information System (INIS)

    Teese, G.D.

    1995-01-01

    The Savannah River Site has successfully used robots, teleoperators, and remote video to reduce exposure to ionizing radiation, improve worker safety, and improve the quality of operations. Previous reports have described the use of mobile teleoperators in coping with a high level liquid waste spill, the removal of highly contaminated equipment, and the inspection of nuclear reactor vessels. This report will cover recent applications at the Savannah River, as well as systems which SRS has delivered to other DOE site customers

  19. Site characterization activities at Stripa and other Swedish projects

    International Nuclear Information System (INIS)

    Ahlstroehm, P.E.

    1991-01-01

    The Swedish research programme concerning spent nuclear fuel disposal aims for submitting a siting license application around the year 2000. An important step towards that goal will be the detailed characterization of at least two potential sites in late 1990s. In preparation for such characterization several research projects are conducted. One is the international Stripa Project that includes a site characterization and validation project for a small size granite rock body. The Stripa work also includes further development of instrumentation and measurement techniques. Another project is the Finnsjoen Fracture Zone Project, which is characterizing a subhorizontal zone at depths from 100 to 350 meters. The third project is the new Swedish Hard Rock Laboratory planned at the site of the Oskarshamn nuclear power plant. The preinvestigations and construction of this laboratory include major efforts in development, application and validation of site characterization methodology. (author) 6 figs., 9 refs

  20. Using Carbohydrate Interaction Assays to Reveal Novel Binding Sites in Carbohydrate Active Enzymes

    DEFF Research Database (Denmark)

    Cockburn, Darrell; Wilkens, Casper; Dilokpimol, Adiphol

    2016-01-01

    Carbohydrate active enzymes often contain auxiliary binding sites located either on independent domains termed carbohydrate binding modules (CBMs) or as so-called surface binding sites (SBSs) on the catalytic module at a certain distance from the active site. The SBSs are usually critical...

  1. Half-of-the-sites reactivity of outer-membrane phospholipase A against an active-site-directed inhibitor.

    Science.gov (United States)

    Ubarretxena-Belandia, I; Cox, R C; Dijkman, R; Egmond, M R; Verheij, H M; Dekker, N

    1999-03-01

    The reaction of a novel active-site-directed phospholipase A1 inhibitor with the outer-membrane phospholipase A (OMPLA) was investigated. The inhibitor 1-p-nitrophenyl-octylphosphonate-2-tridecylcarbamoyl-3-et hanesulfonyl -amino-3-deoxy-sn-glycerol irreversibly inactivated OMPLA. The inhibition reaction did not require the cofactor calcium or an unprotonated active-site His142. The inhibition of the enzyme solubilized in hexadecylphosphocholine micelles was characterized by a rapid (t1/2 = 20 min) and complete loss of enzymatic activity, concurrent with the covalent modification of 50% of the active-site serines, as judged from the amount of p-nitrophenolate (PNP) released. Modification of the remaining 50% occurred at a much lower rate, indicative of half-of-the-sites reactivity against the inhibitor of this dimeric enzyme. Inhibition of monomeric OMPLA solubilized in hexadecyl-N,N-dimethyl-1-ammonio-3-propanesulfonate resulted in an equimolar monophasic release of PNP, concurrent with the loss of enzymatic activity (t1/2 = 14 min). The half-of-the-sites reactivity is discussed in view of the dimeric nature of this enzyme.

  2. ESR analyses for teeth from the open-air site at Attirampakkam, India: Clues to complex U uptake and paleoenvironmental change

    International Nuclear Information System (INIS)

    Blackwell, Bonnie A.B.; Montoya, Andres; Blickstein, Joel I.B.; Skinner, Anne R.; Pappu, Shanti; Gunnell, Yanni; Taieb, Maurice; Kumar, Akhilesh; Lundberg, Joyce A.

    2007-01-01

    In open-air sites, diagenetic alteration makes teeth difficult to analyze with electron spin resonance (ESR). Despite strong diagenetic alteration, three ungulate teeth from Pleistocene fluvial sediment in the open-air Paleolithic site at Attirampakkam, Tamil Nadu, India, were analyzed using standard and isochron ESR. Diagenetic alteration features in two teeth indicated rapid submergence in quiet saline to hypersaline water, following a short subaerial exposure, while the third remained constantly buried under reducing conditions. Geochemical signatures and ESR data all indicate that the teeth experienced at least three independent U uptake events during diagenesis, including two that occurred long after burial

  3. The AAM-API: An Open Source Active Appearance Model Implementation

    DEFF Research Database (Denmark)

    Stegmann, Mikkel Bille

    2003-01-01

    This paper presents a public domain implementation of the Active Appearance Model framework and gives examples using it for segmentation and analysis of medical images. The software is open source, designed with efficiency in mind, and has been thoroughly tested and evaluated in several medical...

  4. The Impact of Entry and Competition by Open Source Software on Innovation Activity

    DEFF Research Database (Denmark)

    Schröder, Philipp J.H.; Bitzer, Jürgen

    2006-01-01

    This chapter presents the stylized facts of open source software innovation and provides empirical evidence on the impact of increased competition by OSS on the innovative activity in the software industry. Furthermore, we introduce a simple formal model that captures the innovation impact of OSS...

  5. Asymmetric information, entrepreneurial activity, and the scope of fiscal policy in an open regional economy

    NARCIS (Netherlands)

    Batabyal, A.A.; Nijkamp, P.

    2010-01-01

    The authors analyze two hitherto little studied but salient questions concerning the trinity of asymmetric information, entrepreneurial activity, and the scope of fiscal policy in an open regional economy. First, the authors use a two-period model to analyze the contractual relationship between

  6. University Physics Students' Ideas of Thermal Radiation Expressed in Open Laboratory Activities Using Infrared Cameras

    Science.gov (United States)

    Haglund, Jesper; Melander, Emil; Weiszflog, Matthias; Andersson, Staffan

    2017-01-01

    Background: University physics students were engaged in open-ended thermodynamics laboratory activities with a focus on understanding a chosen phenomenon or the principle of laboratory apparatus, such as thermal radiation and a heat pump. Students had access to handheld infrared (IR) cameras for their investigations. Purpose: The purpose of the…

  7. Radiological survey following decontamination activities near the TA-45 site

    International Nuclear Information System (INIS)

    Gunderson, T.; Buhl, T.; Romero, R.; Salazar, J.

    1983-07-01

    Three areas at the site of a former radioactive liquid waste treatment plant at Los Alamos National Laboratory were decontaminated during 1982 by Bechtel Corporation, with health physics support provided by Eberline Instrument Corporation, under the Department of Energy's Formerly Utilized Sites Remedial Action Program (FUSRAP). Before decontamination, there were above-background concentrations of gross alpha, gross beta, 238 Pu, 239 240 Pu, 241 Am, 90 Sr, and 137 Cs in the surface soils. These combined concentrations were above operational decontamination guidelines for surface soil contamination. After cleanup operations, radionuclide concentrations in surface soils at all three sites were within decontamination guidelines

  8. 14C-analyses of calcite coatings in open fractures from the Klipperaas study site, Southern Sweden

    International Nuclear Information System (INIS)

    Possnert, G.; Tullborg, E.L.

    1989-11-01

    Carbonate samples from open fractures in crystalline rock from the Klipperaas study site have been analysed for their 14 C contents using accelerator mass spectrometry. This technique makes it possible to analyse very small carbonate samples (c. 1 mg C). The analyses show low but varying contents of 14 C. However, contamination by CO 2 have taken place affecting small samples more than others. Attempts have been made to quantify the contamination and thus evaluate the analyses of the fracture samples. The obtained low 14 C values can be due to: 1. An effective retention of 14 C by sorption/fractionation forcing 14 C onto the calcite surfaces in the near-surface zone which means that the 14 C contribution to the deeper levels is diminished or 2. the penetration depth of surface groundwater is very shallow. The former is suggested as more probable based on evaluations of the hydrochemical conditions and the fracture mineral studies. (10 figs., 3 tabs., 9 refs.) (authors)

  9. Probing Interactions of N-Donor Molecules with Open Metal Sites within Paramagnetic Cr-MIL-101: A Solid-State NMR Spectroscopic and Density Functional Theory Study.

    Science.gov (United States)

    Wittmann, Thomas; Mondal, Arobendo; Tschense, Carsten B L; Wittmann, Johannes J; Klimm, Ottokar; Siegel, Renée; Corzilius, Björn; Weber, Birgit; Kaupp, Martin; Senker, Juergen

    2018-02-14

    Understanding host-guest interactions is one of the key requirements for adjusting properties in metal-organic frameworks (MOFs). In particular, systems with coordinatively unsaturated Lewis acidic metal sites feature highly selective adsorption processes. This is attributed to strong interactions with Lewis basic guest molecules. Here we show that a combination of 13 C MAS NMR spectroscopy with state-of-the-art density functional theory (DFT) calculations allows one to unravel the interactions of water, 2-aminopyridine, 3-aminopyridine, and diethylamine with the open metal sites in Cr-MIL-101. The 13 C MAS NMR spectra, obtained with ultrafast magic-angle spinning, are well resolved, with resonances distributed over 1000 ppm. They present a clear signature for each guest at the open metal sites. Based on competition experiments this leads to the following binding preference: water open metal sites, the NMR data offer additional information about the guest and framework dynamics. We expect that our strategy has the potential for probing the binding situation of adsorbate mixtures at the open metal sites of MOFs in general and thus accesses the microscopic interaction mechanisms for this important material class, which is essential for deriving structure-property relationships.

  10. Disulfide bond within mu-calpain active site inhibits activity and autolysis.

    Science.gov (United States)

    Lametsch, René; Lonergan, Steven; Huff-Lonergan, Elisabeth

    2008-09-01

    Oxidative processes have the ability to influence mu-calpain activity. In the present study the influence of oxidation on activity and autolysis of mu-calpain was examined. Furthermore, LC-MS/MS analysis was employed to identify and characterize protein modifications caused by oxidation. The results revealed that the activity of mu-calpain is diminished by oxidation with H2O2 in a reversible manner involving cysteine and that the rate of autolysis of mu-calpain concomitantly slowed. The LC-MS/MS analysis of the oxidized mu-calpain revealed that the amino acid residues 105-133 contained a disulfide bond between Cys(108) and Cys(115). The finding that the active site cysteine in mu-calpain is able to form a disulfide bond has, to our knowledge, not been reported before. This could be part of a unique oxidation mechanism for mu-calpain. The results also showed that the formation of the disulfide bond is limited in the control (no oxidant added), and further limited in a concentration-dependent manner when beta-mercaptoethanol is added. However, the disulfide bond is still present to some extent in all conditions indicating that the active site cysteine is potentially highly susceptible to the formation of this intramolecular disulfide bond.

  11. Calpain 3 Is Activated through Autolysis within the Active Site and Lyses Sarcomeric and Sarcolemmal Components

    Science.gov (United States)

    Taveau, Mathieu; Bourg, Nathalie; Sillon, Guillaume; Roudaut, Carinne; Bartoli, Marc; Richard, Isabelle

    2003-01-01

    Calpain 3 (Capn3) is known as the skeletal muscle-specific member of the calpains, a family of intracellular nonlysosomal cysteine proteases. This enigmatic protease has many unique features among the calpain family and, importantly, mutations in Capn3 have been shown to be responsible for limb girdle muscular dystrophy type 2A. Here we demonstrate that the Capn3 activation mechanism is similar to the universal activation of caspases and corresponds to an autolysis within the active site of the protease. We undertook a search for substrates in immature muscle cells, as several lines of evidence suggest that Capn3 is mostly in an inactive state in muscle and needs a signal to be activated. In this model, Capn3 proteolytic activity leads to disruption of the actin cytoskeleton and disorganization of focal adhesions through cleavage of several endogenous proteins. In addition, we show that titin, a previously identified Capn3 partner, and filamin C are further substrates of Capn3. Finally, we report that Capn3 colocalizes in vivo with its substrates at various sites along cytoskeletal structures. We propose that Capn3-mediated cleavage produces an adaptive response of muscle cells to external and/or internal stimuli, establishing Capn3 as a muscle cytoskeleton regulator. PMID:14645524

  12. Heart Rate Variability in Nonlinear Rats with Different Orientation and Exploratory Activity in the Open Field.

    Science.gov (United States)

    Kur'yanova, E V; Teplyi, D L; Zhukova, Yu D; Zhukovina, N V

    2015-12-01

    The basic behavioral activity of nonlinear rats was evaluated from the sum of crossed peripheral and central squares and peripheral and central rearing postures in the open fi eld test. This index was low (30 episodes). Male rats with high score of orientation and exploratory activity were characterized by higher indexes of total heart rate variability than rats with low or intermediate activity. Specimens with a greater contribution of VLF waves into the total power spectrum of heart rate variability were shown to dominate among the rats with high behavioral activity. Our results are consistent with the notions of a suprasegmental nature of VLF waves.

  13. IAU astroEDU: an open-access platform for peer-reviewed astronomy education activities

    Science.gov (United States)

    Heenatigala, Thilina; Russo, Pedro; Strubbe, Linda; Gomez, Edward

    2015-08-01

    astroEDU is an open access platform for peer-reviewed astronomy education activities. It addresses key problems in educational repositories such as variability in quality, not maintained or updated regularly, limited content review, and more. This is achieved through a peer-review process similar to what scholarly articles are based on. Activities submitted are peer-reviewed by an educator and a professional astronomer which gives the credibility to the activities. astroEDU activities are open-access in order to make the activities accessible to educators around the world while letting them discover, review, distribute and remix the activities. The activity submission process allows authors to learn how to apply enquiry-based learning into the activity, identify the process skills required, how to develop core goals and objectives, and how to evaluate the activity to determine the outcome. astroEDU is endorsed by the International Astronomical Union meaning each activity is given an official stamp by the international organisation for professional astronomers.

  14. Gender-related response in open-field activity following developmental nicotine exposure in rats.

    Science.gov (United States)

    Romero, Roland D; Chen, Wei-Jung A

    2004-08-01

    Smoking during pregnancy may lead to low birthweight and behavioral alterations in the offspring. In this study, the effects of developmental nicotine exposure on the somatic growth of the offspring and the behavioral performance in the open-field test were examined. Sprague-Dawley female rats were implanted with nicotine (35 mg for 21-day time release; NIC 35) or placebo pellets on gestational day (GD) 8 (postblastocyst implantation). A normal control group with no pellet implant was also included. There was a significantly higher maternal weight gain in the placebo group possibly due to a larger litter size. However, there were no significant differences in body weights among all three treatment groups for male and female offspring. The amount of activity, measured by the total number of crossings in the open-field test, indicated a gender difference in baseline level and pattern of ambulatory activity, with less activity (lower number of crossings) in male offspring and an increase in the activity of the female offspring as a function of testing day. The increase in the ambulatory activity of the female offspring was observed in the placebo and normal, but not the NIC 35 group suggesting that developmental nicotine exposure interferes with open-field activity, and this behavioral alteration is gender related. Copyright 2004 Elsevier Inc.

  15. Human population and activities in Forsmark. Site description

    Energy Technology Data Exchange (ETDEWEB)

    Miliander, Sofia; Punakivi, Mari; Kylaekorpi, Lasse; Rydgren, Bernt [SwedPower AB, Stockholm (Sweden)

    2004-12-01

    The Swedish Nuclear Fuel and Waste Management Co (SKB) is in the process of selecting a safe and environmentally acceptable location for a deep repository of radioactive waste. Two alternative locations are under investigation. These are Forsmark, Oesthammars kommun (kommun = municipality) and Simpevarp/Laxemar, Oskarshamns kommun. SKB has expressed the importance of describing the humans and their activities in these areas and therefore has this synthesis concerning the human population in Forsmark been produced.The description is a statistical synthesis, mainly based upon statistical data from SCB (Statistics Sweden) that has been collected, processed and analysed. The statistical data has not been verified through site inspections and interviews. When using statistical data, it is advisable to note that the data becomes more unreliable if the areas are small, with small populations.The data in this description is essential for future evaluations of the impact on the environment and its human population (Environmental Impact Assessments). The data is also important when modelling the potential flows of radio nuclides and calculating the risk of exposure in future safety assessments.The actual area for the study is in this report called 'the Forsmark area', an area of 19.5 km{sup 2} near Forsmark nuclear power plant. The land use in the Forsmark area differs notably from the land use in Uppsala laen (laen = county). Only 0.04% of the total area is developed (built-up) compared to 4.9% in Uppsala laen and only 4% is agricultural land compared to 25% in the county. Furthermore, there are far more forest, wetlands and water areas in the Forsmark area. The forest area represents as much as 72.5% of the total area.The Forsmark area is uninhabited, and its surroundings are very sparsely populated. In 2002, the population density in Forsmark was 1.8 inhabitants per square kilometre, which was 24 times lower than in Uppsala laen. The population density in the

  16. Human population and activities in Forsmark. Site description

    International Nuclear Information System (INIS)

    Miliander, Sofia; Punakivi, Mari; Kylaekorpi, Lasse; Rydgren, Bernt

    2004-12-01

    The Swedish Nuclear Fuel and Waste Management Co (SKB) is in the process of selecting a safe and environmentally acceptable location for a deep repository of radioactive waste. Two alternative locations are under investigation. These are Forsmark, Oesthammars kommun (kommun = municipality) and Simpevarp/Laxemar, Oskarshamns kommun. SKB has expressed the importance of describing the humans and their activities in these areas and therefore has this synthesis concerning the human population in Forsmark been produced.The description is a statistical synthesis, mainly based upon statistical data from SCB (Statistics Sweden) that has been collected, processed and analysed. The statistical data has not been verified through site inspections and interviews. When using statistical data, it is advisable to note that the data becomes more unreliable if the areas are small, with small populations.The data in this description is essential for future evaluations of the impact on the environment and its human population (Environmental Impact Assessments). The data is also important when modelling the potential flows of radio nuclides and calculating the risk of exposure in future safety assessments.The actual area for the study is in this report called 'the Forsmark area', an area of 19.5 km 2 near Forsmark nuclear power plant. The land use in the Forsmark area differs notably from the land use in Uppsala laen (laen = county). Only 0.04% of the total area is developed (built-up) compared to 4.9% in Uppsala laen and only 4% is agricultural land compared to 25% in the county. Furthermore, there are far more forest, wetlands and water areas in the Forsmark area. The forest area represents as much as 72.5% of the total area.The Forsmark area is uninhabited, and its surroundings are very sparsely populated. In 2002, the population density in Forsmark was 1.8 inhabitants per square kilometre, which was 24 times lower than in Uppsala laen. The population density in the parish has been

  17. Efficient, regioselective ring-opening of activated aziridine-2-carboxylates with [18F]fluoride

    DEFF Research Database (Denmark)

    Schjøth-Eskesen, Christina; Hansen, Paul Robert; Kjær, Andreas

    2015-01-01

    Aziridines can undergo a range of ring-opening reactions with nucleophiles. The regio- and stereochemistry of the products depend on the substituents on the aziridine. Aziridine ring-opening reactions have rarely been used in radiosynthesis. Herein we report the ring opening of activated aziridine...

  18. Open-ended versus guided laboratory activities:Impact on students' beliefs about experimental physics

    Science.gov (United States)

    Wilcox, Bethany R.; Lewandowski, H. J.

    2016-12-01

    Improving students' understanding of the nature of experimental physics is often an explicit or implicit goal of undergraduate laboratory physics courses. However, lab activities in traditional lab courses are typically characterized by highly structured, guided labs that often do not require or encourage students to engage authentically in the process of experimental physics. Alternatively, open-ended laboratory activities can provide a more authentic learning environment by, for example, allowing students to exercise greater autonomy in what and how physical phenomena are investigated. Engaging in authentic practices may be a critical part of improving students' beliefs around the nature of experimental physics. Here, we investigate the impact of open-ended activities in undergraduate lab courses on students' epistemologies and expectations about the nature of experimental physics, as well as their confidence and affect, as measured by the Colorado Learning Attitudes about Science Survey for Experimental Physics (E-CLASS). Using a national data set of student responses to the E-CLASS, we find that the inclusion of some open-ended lab activities in a lab course correlates with more expertlike postinstruction responses relative to courses that include only traditional guided lab activities. This finding holds when examining postinstruction E-CLASS scores while controlling for the variance associated with preinstruction scores, course level, student major, and student gender.

  19. Outcomes of Open Dorsal Wrist Ganglion Excision in Active-Duty Military Personnel.

    Science.gov (United States)

    Balazs, George C; Donohue, Michael A; Drake, Matthew L; Ipsen, Derek; Nanos, George P; Tintle, Scott M

    2015-09-01

    To examine the most common presenting complaints of active-duty service members with isolated dorsal wrist ganglions and to determine the rate of return to unrestricted duty after open excision. Surgical records at 2 military facilities were screened to identify male and female active duty service members undergoing isolated open excision of dorsal wrist ganglions from January 1, 2006 to January 1, 2014. Electronic medical records and service disability databases were searched to identify the most common presenting symptoms and to determine whether patients returned to unrestricted active duty after surgery. Postoperative outcomes examined were pain persisting greater than 4 weeks after surgery, stiffness requiring formal occupational therapy treatment, surgical wound complications, and recurrence. A total of 125 active duty military personnel (Army, 54; Navy, 43; and Marine Corps, 28) met criteria for inclusion. Mean follow-up was 45 months. Fifteen percent (8 of 54) of the Army personnel were given permanent waivers from performing push-ups owing to persistent pain and stiffness. Pain persisting greater than 4 weeks after surgery was an independent predictor of eventual need for a permanent push-up waiver. The overall recurrence incidence was 9%. No demographic or perioperative factors were associated with recurrence. Patients whose occupation or activities require forceful wrist extension should be counseled on the considerable risk of residual pain and functional limitations that may occur after open dorsal wrist ganglion excision. Therapeutic IV. Published by Elsevier Inc.

  20. Off-site emergency preparedness activities within the European Commission

    International Nuclear Information System (INIS)

    Kelly, G.N.

    1998-01-01

    Increasing attention is being given by the European Commission to off-site emergency preparedness as part of its broader contribution to improving nuclear safety in Eastern Europe. The main initiatives being taken or planned by the Commission in this area are summarised. Particular attention is given to two topics: Firstly, the development of the RODOS (Real-time On-line DecisiOn Support) system for supporting off-site emergency management in the event of a nuclear accident; and, secondly, the work of an Inter-Service Group on nuclear Off-Site Emergency Preparedness (OSEP) in Eastern Europe that has been established within the Commission. The contribution that each is making to improving emergency preparedness, both in Eastern Europe and in Europe more widely, is described. (orig.)

  1. Bacterial activity in sea ice and open water of the Weddell Sea, Antarctica: A microautoradiographic study.

    Science.gov (United States)

    Grossmann, S

    1994-07-01

    Metabolic activity of bacteria was investigated in open water, newly forming sea ice, and successive stages of pack ice in the Weddell Sea. Microautoradiography, using [(3)H]leucine as substrate, was compared with incorporation rates of [(3)H]leucine into proteins. Relation of [(3)H]leucine incorporation to the biomass of active bacteria provides information about changes of specific metabolic activity of cells. During a phytoplankton bloom in an ice-free, stratified water column, total numbers of bacteria in the euphotic zone averaged 2.3 × 10(5) ml(-1), but only about 13% showed activity via leucine uptake. Growth rate of the active bacteria was estimated as 0.3-0.4 days(-1). Total cell concentration of bacteria in 400 m depth was 6.6 × 10(4) ml(-1). Nearly 50% of these cells were active, although biomass production and specific growth rate were only about one-tenth that of the surface populations. When sea ice was forming in high concentrations of phytoplankton, bacterial biomass in the newly formed ice was 49.1 ng C ml(-1), exceeding that in open water by about one order of magnitude. Attachment of large bacteria to algal cells seems to cause their enrichment in the new ice, since specific bacterial activity was reduced during ice formation, and enrichment of bacteria was not observed when ice formed at low algal concentration. During growth of pack ice, biomass of bacteria increased within the brine channel system. Specific activity was still reduced at these later stages of ice development, and percentages of active cells were as low as 3-5%. In old, thick pack ice, bacterial activity was high and about 30% of cells were active. However, biomass-specific activity of bacteria remained significantly lower than that in open water. It is concluded that bacterial assemblages different to those of open water developed within the ice and were dominated by bacteria with lower average metabolic activity than those of ice-free water.

  2. Icelandic volcanic ash from the Late-glacial open-air archaeological site of Ahrenshöft LA 58 D, North Germany

    DEFF Research Database (Denmark)

    Housley, R. A.; Lane, C. S.; Cullen, V. L.

    2012-01-01

    Cryptotephra of Icelandic origin from the open-air archaeological site of Ahrenshöft LA 58 D (Kr. Nordfriesland, Schleswig-Holstein), northern Germany overlies a Late-glacial Havelte lithic assemblage, hitherto dated by 14C and biostratigraphy to the earliest part of the Late-glacial interstadial...

  3. Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory

    NARCIS (Netherlands)

    Heinen, J.; Burtch, N.; Walton, K.; Fonseca Guerra, C.; Dubbeldam, D.

    2016-01-01

    For the design of adsorptive-separation units, knowledge is required of the multicomponent adsorption behavior. Ideal adsorbed solution theory (IAST) breaks down for olefin adsorption in open-metal site (OMS) materials due to non-ideal donor–acceptor interactions. Using a

  4. The status of Yucca Mountain site characterization activities

    International Nuclear Information System (INIS)

    Gertz, Carl P.; Larkin, Erin L.; Hamner, Melissa

    1992-01-01

    The U.S. Department of Energy (DOE) Office of Civilian Radioactive Waste Management (OCRWM) is continuing its studies to determine if Yucca Mountain, Nevada, can safely isolate high-level nuclear waste for the next ten thousand years. As mandated by Congress in 1987, DOE is studying the rocks, the climate, and the water table at Yucca Mountain to ensure that the site is suitable before building a repository adopt 305 meters below the surface. Yucca Mountain, located 160.9 kilometers northwest of Las Vegas, lies on the western edge of the Nevada Test Site. Nevada and DOE have been in litigation over environmental permits needed to conduct studies, but recent court decisions have allowed limited new work to begin. This paper will examine progress made on the Yucca Mountain Site Characterization Project (YMP) during 1991 and continuing into 1992, discuss the complex legal issues and describe new site drilling work. Design work on the underground exploratory studies facility (ESF) will also be discussed. (author)

  5. Impact of biocrust succession on water retention and repellency on open-cast lignite mining sites under reclamation in Lower Lusatia, NE-Germany

    Science.gov (United States)

    Gypser, Stella; Fischer, Thomas; Lange, Philipp; Veste, Maik

    2016-04-01

    Mining activities can strongly affect ecosystem properties by destruction of naturally developed soils and removal of vegetation. The unstructured substrates show high bulk densities, compaction, low water infiltration rates, reduced water holding capacities and higher susceptibility to wind and water erosion. In the initial stage of the ecosystem development, the post-mining sites are open areas without or with a low cover of higher vegetation. It is well-known that biocrusts are able to colonize the soil surface under such extreme conditions without human support and affect soil hydrological processes such as water infiltration, run-off or re-distribution. Investigations were conducted on two former lignite open-cast mining sites, an artificial sand dune on the reclaimed watershed Welzow "Neuer Lugteich" and a reforestation area in Schlabendorf (Brandenburg, north-east Germany). The aim was to relate the hydrological characteristics of the topsoil to successional stages of biological soil crusts on reclaimed soils and their influence on repellency index and water holding capacity compared to pure mining substrate. Our study emphasized the influence of changing successional stages and species composition of biological soil crusts, forming a small-scale crust pattern, on water repellency and retention on sandy soils in temperate climate. Different successional stages of soil crusts were identified from initial scattered green algae crusts, dominated by Zygogonium spec. and Ulothrix spec., and more developed soil crusts containing mosses such as Ceratodon purpureus and Polytrichum piliferum. Lichens of the Genus Cladonia were more pronouncedly contributed to biocrusts at later and mature stages of development. The repellency index on the one hand increased due to the cross-linking of sand particles by the filamentous green algae Zygogonium spec. which resulted in clogging of pores, and on the other hand decreased with the occurrence of moss plants due to absorption

  6. Review of ATLAS Open Data 8 TeV datasets, tools and activities

    CERN Document Server

    The ATLAS collaboration

    2018-01-01

    The ATLAS Collaboration has released two 8 TeV datasets and relevant simulated samples to the public for educational use. A number of groups within ATLAS have used these ATLAS Open Data 8 TeV datasets, developing tools and educational material to promote particle physics. The general aim of these activities is to provide simple and user-friendly interactive interfaces to simulate the procedures used by high-energy physics researchers. International Masterclasses introduce particle physics to high school students and have been studying 8 TeV ATLAS Open Data since 2015. Inspired by this success, a new ATLAS Open Data initiative was launched in 2016 for university students. A comprehensive educational platform was thus developed featuring a second 8 TeV dataset and a new set of educational tools. The 8 TeV datasets and associated tools are presented and discussed here, as well as a selection of activities studying the ATLAS Open Data 8 TeV datasets.

  7. Chronic Toxoplasma gondii in Nurr1-null heterozygous mice exacerbates elevated open field activity.

    Science.gov (United States)

    Eells, Jeffrey B; Varela-Stokes, Andrea; Guo-Ross, Shirley X; Kummari, Evangel; Smith, Holly M; Cox, Erin; Lindsay, David S

    2015-01-01

    Latent infection with Toxoplasma gondii is common in humans (approximately 30% of the global population) and is a significant risk factor for schizophrenia. Since prevalence of T. gondii infection is far greater than prevalence of schizophrenia (0.5-1%), genetic risk factors are likely also necessary to contribute to schizophrenia. To test this concept in an animal model, Nurr1-null heterozygous (+/-) mice and wild-type (+/+) mice were evaluate using an emergence test, activity in an open field and with a novel object, response to bobcat urine and prepulse inhibition of the acoustic startle response (PPI) prior to and 6 weeks after infection with T. gondii. In the emergence test, T. gondii infection significantly decreased the amount of time spent in the cylinder. Toxoplasma gondii infection significantly elevated open field activity in both +/+ and +/- mice but this increase was significantly exacerbated in +/- mice. T. gondii infection reduced PPI in male +/- mice but this was not statistically significant. Aversion to bobcat urine was abolished by T. gondii infection in +/+ mice. In female +/- mice, aversion to bobcat urine remained after T. gondii infection while the male +/- mice showed no aversion to bobcat urine. Antibody titers of infected mice were a critical variable associated with changes in open field activity, such that an inverted U shaped relationship existed between antibody titers and the percent change in open field activity with a significant increase in activity at low and medium antibody titers but no effect at high antibody titers. These data demonstrate that the Nurr1 +/- genotype predisposes mice to T. gondii-induced alterations in behaviors that involve dopamine neurotransmission and are associated with symptoms of schizophrenia. We propose that these alterations in murine behavior were due to further exacerbation of the altered dopamine neurotransmission in Nurr1 +/- mice.

  8. Chronic Toxoplasma gondii in Nurr1-null heterozygous mice exacerbates elevated open field activity.

    Directory of Open Access Journals (Sweden)

    Jeffrey B Eells

    Full Text Available Latent infection with Toxoplasma gondii is common in humans (approximately 30% of the global population and is a significant risk factor for schizophrenia. Since prevalence of T. gondii infection is far greater than prevalence of schizophrenia (0.5-1%, genetic risk factors are likely also necessary to contribute to schizophrenia. To test this concept in an animal model, Nurr1-null heterozygous (+/- mice and wild-type (+/+ mice were evaluate using an emergence test, activity in an open field and with a novel object, response to bobcat urine and prepulse inhibition of the acoustic startle response (PPI prior to and 6 weeks after infection with T. gondii. In the emergence test, T. gondii infection significantly decreased the amount of time spent in the cylinder. Toxoplasma gondii infection significantly elevated open field activity in both +/+ and +/- mice but this increase was significantly exacerbated in +/- mice. T. gondii infection reduced PPI in male +/- mice but this was not statistically significant. Aversion to bobcat urine was abolished by T. gondii infection in +/+ mice. In female +/- mice, aversion to bobcat urine remained after T. gondii infection while the male +/- mice showed no aversion to bobcat urine. Antibody titers of infected mice were a critical variable associated with changes in open field activity, such that an inverted U shaped relationship existed between antibody titers and the percent change in open field activity with a significant increase in activity at low and medium antibody titers but no effect at high antibody titers. These data demonstrate that the Nurr1 +/- genotype predisposes mice to T. gondii-induced alterations in behaviors that involve dopamine neurotransmission and are associated with symptoms of schizophrenia. We propose that these alterations in murine behavior were due to further exacerbation of the altered dopamine neurotransmission in Nurr1 +/- mice.

  9. Preliminary siting activities for new waste handling facilities at the Idaho National Engineering Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Taylor, D.D.; Hoskinson, R.L.; Kingsford, C.O.; Ball, L.W.

    1994-09-01

    The Idaho Waste Processing Facility, the Mixed and Low-Level Waste Treatment Facility, and the Mixed and Low-Level Waste Disposal Facility are new waste treatment, storage, and disposal facilities that have been proposed at the Idaho National Engineering Laboratory (INEL). A prime consideration in planning for such facilities is the selection of a site. Since spring of 1992, waste management personnel at the INEL have been involved in activities directed to this end. These activities have resulted in the (a) identification of generic siting criteria, considered applicable to either treatment or disposal facilities for the purpose of preliminary site evaluations and comparisons, (b) selection of six candidate locations for siting,and (c) site-specific characterization of candidate sites relative to selected siting criteria. This report describes the information gathered in the above three categories for the six candidate sites. However, a single, preferred site has not yet been identified. Such a determination requires an overall, composite ranking of the candidate sites, which accounts for the fact that the sites under consideration have different advantages and disadvantages, that no single site is superior to all the others in all the siting criteria, and that the criteria should be assigned different weighing factors depending on whether a site is to host a treatment or a disposal facility. Stakeholder input should now be solicited to help guide the final selection. This input will include (a) siting issues not already identified in the siting, work to date, and (b) relative importances of the individual siting criteria. Final site selection will not be completed until stakeholder input (from the State of Idaho, regulatory agencies, the public, etc.) in the above areas has been obtained and a strategy has been developed to make a composite ranking of all candidate sites that accounts for all the siting criteria.

  10. Preliminary siting activities for new waste handling facilities at the Idaho National Engineering Laboratory

    International Nuclear Information System (INIS)

    Taylor, D.D.; Hoskinson, R.L.; Kingsford, C.O.; Ball, L.W.

    1994-09-01

    The Idaho Waste Processing Facility, the Mixed and Low-Level Waste Treatment Facility, and the Mixed and Low-Level Waste Disposal Facility are new waste treatment, storage, and disposal facilities that have been proposed at the Idaho National Engineering Laboratory (INEL). A prime consideration in planning for such facilities is the selection of a site. Since spring of 1992, waste management personnel at the INEL have been involved in activities directed to this end. These activities have resulted in the (a) identification of generic siting criteria, considered applicable to either treatment or disposal facilities for the purpose of preliminary site evaluations and comparisons, (b) selection of six candidate locations for siting,and (c) site-specific characterization of candidate sites relative to selected siting criteria. This report describes the information gathered in the above three categories for the six candidate sites. However, a single, preferred site has not yet been identified. Such a determination requires an overall, composite ranking of the candidate sites, which accounts for the fact that the sites under consideration have different advantages and disadvantages, that no single site is superior to all the others in all the siting criteria, and that the criteria should be assigned different weighing factors depending on whether a site is to host a treatment or a disposal facility. Stakeholder input should now be solicited to help guide the final selection. This input will include (a) siting issues not already identified in the siting, work to date, and (b) relative importances of the individual siting criteria. Final site selection will not be completed until stakeholder input (from the State of Idaho, regulatory agencies, the public, etc.) in the above areas has been obtained and a strategy has been developed to make a composite ranking of all candidate sites that accounts for all the siting criteria

  11. GASS-WEB: a web server for identifying enzyme active sites based on genetic algorithms.

    Science.gov (United States)

    Moraes, João P A; Pappa, Gisele L; Pires, Douglas E V; Izidoro, Sandro C

    2017-07-03

    Enzyme active sites are important and conserved functional regions of proteins whose identification can be an invaluable step toward protein function prediction. Most of the existing methods for this task are based on active site similarity and present limitations including performing only exact matches on template residues, template size restraints, despite not being capable of finding inter-domain active sites. To fill this gap, we proposed GASS-WEB, a user-friendly web server that uses GASS (Genetic Active Site Search), a method based on an evolutionary algorithm to search for similar active sites in proteins. GASS-WEB can be used under two different scenarios: (i) given a protein of interest, to match a set of specific active site templates; or (ii) given an active site template, looking for it in a database of protein structures. The method has shown to be very effective on a range of experiments and was able to correctly identify >90% of the catalogued active sites from the Catalytic Site Atlas. It also managed to achieve a Matthew correlation coefficient of 0.63 using the Critical Assessment of protein Structure Prediction (CASP 10) dataset. In our analysis, GASS was ranking fourth among 18 methods. GASS-WEB is freely available at http://gass.unifei.edu.br/. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

  12. Human population and activities at Simpevarp. Site description

    International Nuclear Information System (INIS)

    Miliander, Sofia; Punakivi, Mari; Kylaekorpi, Lasse; Rydgren, Bernt

    2004-12-01

    The Swedish Nuclear Fuel and Waste Management Co (SKB) is in the process of selecting a safe and environmentally acceptable location for a deep repository of radioactive waste. Two alternative locations are under investigation. These are Forsmark, Oesthammars kommun (kommun = municipality) and Simpevarp/Laxemar, Oskarshamns kommun. SKB has expressed the importance of describing the humans and their activities in these areas and therefore has this synthesis concerning the human population in Forsmark been produced. The description is a statistical synthesis, mainly based upon statistical data from SCB (Statistics Sweden) that has been collected, processed and analysed. The statistical data has not been verified through site inspections and interviews. When using statistical data, it is advisable to note that the data becomes more unreliable if the areas are small, with small populations. The data in this description is essential for future evaluations of the impact on the environment and its human population (environmental impacts assessments). The data is also important when modelling the potential flows of radio nuclides and calculating the risk of exposure in future safety assessments. The actual area for the study is in this report called 'the Simpevarp area', an area of 127.0 km 2 near Oskarshamn nuclear power plant. The land use in Simpevarp area differs notably from the land use in Kalmar laen. The forest area is far more dominating in Simpevarp area than in Kalmar laen and it represents as much as 89% compared to 63% of the total area. Only 4.4% of the area is arable land compared to 11.6% in Kalmar laen and only 0.3% is of other type (wetlands, bare rock, quarries, pites etc) compared to 15.6% in the county. The main observation is that Simpevarp area is a sparsely populated area located in a relatively lightly populated county. In 2002, the population density was 7.4 inhabitants/km 2 , three times lower than in Kalmar laen. The demography statistics show

  13. Human population and activities at Simpevarp. Site description

    Energy Technology Data Exchange (ETDEWEB)

    Miliander, Sofia; Punakivi, Mari; Kylaekorpi, Lasse; Rydgren, Bernt [SwedPower AB, Stockholm (Sweden)

    2004-12-01

    The Swedish Nuclear Fuel and Waste Management Co (SKB) is in the process of selecting a safe and environmentally acceptable location for a deep repository of radioactive waste. Two alternative locations are under investigation. These are Forsmark, Oesthammars kommun (kommun = municipality) and Simpevarp/Laxemar, Oskarshamns kommun. SKB has expressed the importance of describing the humans and their activities in these areas and therefore has this synthesis concerning the human population in Forsmark been produced. The description is a statistical synthesis, mainly based upon statistical data from SCB (Statistics Sweden) that has been collected, processed and analysed. The statistical data has not been verified through site inspections and interviews. When using statistical data, it is advisable to note that the data becomes more unreliable if the areas are small, with small populations. The data in this description is essential for future evaluations of the impact on the environment and its human population (environmental impacts assessments). The data is also important when modelling the potential flows of radio nuclides and calculating the risk of exposure in future safety assessments. The actual area for the study is in this report called 'the Simpevarp area', an area of 127.0 km{sup 2} near Oskarshamn nuclear power plant. The land use in Simpevarp area differs notably from the land use in Kalmar laen. The forest area is far more dominating in Simpevarp area than in Kalmar laen and it represents as much as 89% compared to 63% of the total area. Only 4.4% of the area is arable land compared to 11.6% in Kalmar laen and only 0.3% is of other type (wetlands, bare rock, quarries, pites etc) compared to 15.6% in the county. The main observation is that Simpevarp area is a sparsely populated area located in a relatively lightly populated county. In 2002, the population density was 7.4 inhabitants/km{sup 2}, three times lower than in Kalmar laen. The

  14. Effect of the Northern Sea Route Opening to the Shipping Activities at Malacca Straits

    Directory of Open Access Journals (Sweden)

    N.S.F. Abdul Rahman

    2014-12-01

    Full Text Available The opening of the Northern Sea Route as an alternative route for transporting cargoes between the Far East and Europe seems highly acceptable by shipping companies due to the great saving in fuel consumption, bunker cost, operating cost, emissions and journey time. This situation will not only affect the maritime business activity in the Straits of Malacca but also, the Malaysian economy in different perspectives when the vessels sail via the Suez Canal and the Indian Ocean are expected to decrease. The objective of this study is to analyse the implication in the opening of the Northern Sea Route on Maritime Sector of the Malaysian economy by using PESTEL analysis. The main scope is focusing more on the Malacca Straits shipping activity by using a number of parameters that have been obtained from Port Klang and Port Klang Authority through a set of questionnaires and interview sessions with industrial experts.

  15. Features of public open spaces and physical activity among children: findings from the CLAN study.

    Science.gov (United States)

    Timperio, Anna; Giles-Corti, Billie; Crawford, David; Andrianopoulos, Nick; Ball, Kylie; Salmon, Jo; Hume, Clare

    2008-11-01

    To examine associations between features of public open spaces, and children's physical activity. 163 children aged 8-9 years and 334 adolescents aged 13-15 years from Melbourne, Australia participated in 2004. A Geographic Information System was used to identify all public open spaces (POS) within 800 m of participants' homes and their closest POS. The features of all POS identified were audited in 2004/5. Accelerometers measured moderate-to-vigorous physical activity (MVPA) after school and on weekends. Linear regression analyses examined associations between features of the closest POS and participants' MVPA. Most participants had a POS within 800 m of their home. The presence of playgrounds was positively associated with younger boys' weekend MVPA (B=24.9 min/day; pPOS were associated with participants' MVPA, although mixed associations were evident. Further research is required to clarify these complex relationships.

  16. Administrator Interest is Perceived to Encourage Faculty and Librarian Involvement in Open Access Activities

    Directory of Open Access Journals (Sweden)

    Eamon C. Tewell

    2014-09-01

    Full Text Available A Review of: Reinsfelder, T.L., & Anderson, J.A. (2013. Observations and perceptions of academic administrator influence on open access initiatives. Journal of Academic Librarianship, 39(6: 481-487. http://dx.doi.org/10.1016/j.acalib.2013.08.014 Abstract Objective – To better understand the roles and influence of senior-level academic administrators, such as provosts, on open access (OA activities at the institutional level, including whether librarians perform these activities regardless of administrative interest. Design – Web-based survey questionnaire combined with multiple regression analysis. Settings – The research was conducted online using surveys emailed to potential participants at not-for-profit public and private academic institutions in the United States with a FTE of greater than 1000. Subjects – Academic library directors at selected colleges and universities. Methods – Using directory information from the National Center for Education Statistics (NCES and filtering institutions according to not-for-profit status, size, and special focus, a survey sample of 1135 colleges and universities was obtained. Library websites were used to acquire contact information for library directors. In summer 2012 the 43-item survey questionnaire was distributed to respondents online using Qualtrics. The four primary variables were each comprised of multiple questionnaire items and validated using factor analysis, and the data was explored using multiple regression. Main Results – The survey received 298 respondents for a 26% response rate, though the number of incomplete responses is not stated. Among four stakeholder groups (faculty, publishers, librarians, and senior academic administrators, library directors perceived librarians as having the greatest influence in regards to the adoption of open access (mean = .7056, followed by faculty (.3792, administrators (.1881, and publishers as having a negative impact (–.3684. A positive

  17. Early Site Permit Demonstration Program: Recommendations for communication activities and public participation in the Early Site Permit Demonstration Program

    Energy Technology Data Exchange (ETDEWEB)

    1993-01-27

    On October 24, 1992, President Bush signed into law the National Energy Policy Act of 1992. The bill is a sweeping, comprehensive overhaul of the Nation`s energy laws, the first in more than a decade. Among other provisions, the National Energy Policy Act reforms the licensing process for new nuclear power plants by adopting a new approach developed by the US Nuclear Regulatory Commission (NRC) in 1989, and upheld in court in 1992. The NRC 10 CFR Part 52 rule is a three-step process that guarantees public participation at each step. The steps are: early site permit approval; standard design certifications; and, combined construction/operating licenses for nuclear power reactors. Licensing reform increases an organization`s ability to respond to future baseload electricity generation needs with less financial risk for ratepayers and the organization. Costly delays can be avoided because design, safety and siting issues will be resolved before a company starts to build a plant. Specifically, early site permit approval allows for site suitability and acceptability issues to be addressed prior to an organization`s commitment to build a plant. Responsibility for site-specific activities, including communications and public participation, rests with those organizations selected to try out early site approval. This plan has been prepared to assist those companies (referred to as sponsoring organizations) in planning their communications and public involvement programs. It provides research findings, information and recommendations to be used by organizations as a resource and starting point in developing their own plans.

  18. Early Site Permit Demonstration Program: Recommendations for communication activities and public participation in the Early Site Permit Demonstration Program

    International Nuclear Information System (INIS)

    1993-01-01

    On October 24, 1992, President Bush signed into law the National Energy Policy Act of 1992. The bill is a sweeping, comprehensive overhaul of the Nation's energy laws, the first in more than a decade. Among other provisions, the National Energy Policy Act reforms the licensing process for new nuclear power plants by adopting a new approach developed by the US Nuclear Regulatory Commission (NRC) in 1989, and upheld in court in 1992. The NRC 10 CFR Part 52 rule is a three-step process that guarantees public participation at each step. The steps are: early site permit approval; standard design certifications; and, combined construction/operating licenses for nuclear power reactors. Licensing reform increases an organization's ability to respond to future baseload electricity generation needs with less financial risk for ratepayers and the organization. Costly delays can be avoided because design, safety and siting issues will be resolved before a company starts to build a plant. Specifically, early site permit approval allows for site suitability and acceptability issues to be addressed prior to an organization's commitment to build a plant. Responsibility for site-specific activities, including communications and public participation, rests with those organizations selected to try out early site approval. This plan has been prepared to assist those companies (referred to as sponsoring organizations) in planning their communications and public involvement programs. It provides research findings, information and recommendations to be used by organizations as a resource and starting point in developing their own plans

  19. Chronic Toxoplasma gondii in Nurr1-Null Heterozygous Mice Exacerbates Elevated Open Field Activity

    OpenAIRE

    Eells, Jeffrey B.; Varela-Stokes, Andrea; Guo-Ross, Shirley X.; Kummari, Evangel; Smith, Holly M.; Cox, Erin; Lindsay, David S.

    2015-01-01

    Latent infection with Toxoplasma gondii is common in humans (approximately 30% of the global population) and is a significant risk factor for schizophrenia. Since prevalence of T. gondii infection is far greater than prevalence of schizophrenia (0.5-1%), genetic risk factors are likely also necessary to contribute to schizophrenia. To test this concept in an animal model, Nurr1-null heterozygous (+/-) mice and wild-type (+/+) mice were evaluate using an emergence test, activity in an open fie...

  20. Problem-solving activities in Biology for Open University students [poster session

    OpenAIRE

    Ash, P.; Robinson, D.

    2006-01-01

    Problem-based learning is a valuable tool for enhancing student learning and for providing remedial help in grasping difficult concepts in Biology. Most teaching at the Open University is by course texts, DVDs and television. Teaching material is written by academics and\\ud expert consultants. An important feature of the material is that it includes interactive in-text and self-assessed questions, and also activities which may be home experiments or computer-based.\\ud Students are provided wi...

  1. Anoxic degradation of nitrogenous heterocyclic compounds by activated sludge and their active sites.

    Science.gov (United States)

    Xu, Peng; Han, Hongjun; Zhuang, Haifeng; Hou, Baolin; Jia, Shengyong; Wang, Dexin; Li, Kun; Zhao, Qian

    2015-05-01

    The potential for degradation of five nitrogenous heterocyclic compounds (NHCs), i.e., imidazole, pyridine, indole, quinoline, and carbazole, was investigated under anoxic conditions with acclimated activated sludge. Results showed that NHCs with initial concentration of 50 mg/L could be completely degraded within 60 hr. The degradation of five NHCs was dependent upon the chemical structures with the following sequence: imidazole>pyridine>indole>quinoline>carbazole in terms of their degradation rates. Quantitative structure-biodegradability relationship studies of the five NHCs showed that the anoxic degradation rates were correlated well with highest occupied molecular orbital. Additionally, the active sites of NHCs identified by calculation were confirmed by analysis of intermediates using gas chromatography and mass spectrometry. Copyright © 2015. Published by Elsevier B.V.

  2. Active-Site Hydration and Water Diffusion in Cytochrome P450cam: A Highly Dynamic Process

    Energy Technology Data Exchange (ETDEWEB)

    Miao, Yinglong [ORNL; Baudry, Jerome Y [ORNL

    2011-01-01

    Long-timescale molecular dynamics simulations (300 ns) are performed on both the apo- (i.e., camphor-free) and camphor-bound cytochrome P450cam (CYP101). Water diffusion into and out of the protein active site is observed without biased sampling methods. During the course of the molecular dynamics simulation, an average of 6.4 water molecules is observed in the camphor-binding site of the apo form, compared to zero water molecules in the binding site of the substrate-bound form, in agreement with the number of water molecules observed in crystal structures of the same species. However, as many as 12 water molecules can be present at a given time in the camphor-binding region of the active site in the case of apo-P450cam, revealing a highly dynamic process for hydration of the protein active site, with water molecules exchanging rapidly with the bulk solvent. Water molecules are also found to exchange locations frequently inside the active site, preferentially clustering in regions surrounding the water molecules observed in the crystal structure. Potential-of-mean-force calculations identify thermodynamically favored trans-protein pathways for the diffusion of water molecules between the protein active site and the bulk solvent. Binding of camphor in the active site modifies the free-energy landscape of P450cam channels toward favoring the diffusion of water molecules out of the protein active site.

  3. Multiscale Modeling of the Active Site of [Fe] Hydrogenase: The H2 Binding Site in Open and Closed Protein Conformations

    DEFF Research Database (Denmark)

    Hedegård, Erik D.; Kongsted, Jacob; Ryde, Ulf

    2015-01-01

    A series of QM/MM optimizations of the full protein of [Fe] hydrogenase were performed. The FeGP cofactor has been optimized in the water-bound resting state (1), with a side-on bound dihydrogen (2), or as a hydride intermediate (3). For inclusion of H4MPT in the closed structure, advanced multis...... that hydride transfer from 3 has a significantly higher barrier than found in previous studies neglecting the full protein environment....

  4. Facebook, Twitter Activities Sites, Location and Students' Interest in Learning

    Science.gov (United States)

    Igbo, J. N.; Ezenwaji, Ifeyinwa; Ajuziogu, Christiana U.

    2018-01-01

    This study was carried out to ascertain the influence of social networking sites activities (twitter and Facebook) on secondary school students' interest in learning It also considered the impact of these social networking sites activities on location of the students. Two research questions and two null hypotheses guided the study. Mean and…

  5. Assessment of former uranium sites and their ongoing remediation activities

    International Nuclear Information System (INIS)

    Khakimov, N.; Adkhamov, A.; Nazarov, Kh.M.; Mahmadov, T.; Mirsaidov, I.U.

    2012-01-01

    Carried out analysis on tailing's buildings operation shows that period for engineer barrier service, taking into account any catastrophic natural impacts, is too little in comparison with life-time of long-live radionuclides. Priorities should be defined by danger degree and isolation costs (protection optimization), therefore uncommon, non-traditional methods, developed taking into account natural factors for long-live waste (radionuclides) isolation are necessary. That's why, it is necessary to carry out specialized research and development, design and exploratory and other works on monitoring of social-ecological condition of these sites, as well as on demographic public diseases, living in these regions.

  6. OpenNFT: An open-source Python/Matlab framework for real-time fMRI neurofeedback training based on activity, connectivity and multivariate pattern analysis.

    Science.gov (United States)

    Koush, Yury; Ashburner, John; Prilepin, Evgeny; Sladky, Ronald; Zeidman, Peter; Bibikov, Sergei; Scharnowski, Frank; Nikonorov, Artem; De Ville, Dimitri Van

    2017-08-01

    Neurofeedback based on real-time functional magnetic resonance imaging (rt-fMRI) is a novel and rapidly developing research field. It allows for training of voluntary control over localized brain activity and connectivity and has demonstrated promising clinical applications. Because of the rapid technical developments of MRI techniques and the availability of high-performance computing, new methodological advances in rt-fMRI neurofeedback become possible. Here we outline the core components of a novel open-source neurofeedback framework, termed Open NeuroFeedback Training (OpenNFT), which efficiently integrates these new developments. This framework is implemented using Python and Matlab source code to allow for diverse functionality, high modularity, and rapid extendibility of the software depending on the user's needs. In addition, it provides an easy interface to the functionality of Statistical Parametric Mapping (SPM) that is also open-source and one of the most widely used fMRI data analysis software. We demonstrate the functionality of our new framework by describing case studies that include neurofeedback protocols based on brain activity levels, effective connectivity models, and pattern classification approaches. This open-source initiative provides a suitable framework to actively engage in the development of novel neurofeedback approaches, so that local methodological developments can be easily made accessible to a wider range of users. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

  7. Prediction of Active Site and Distal Residues in E. coli DNA Polymerase III alpha Polymerase Activity.

    Science.gov (United States)

    Parasuram, Ramya; Coulther, Timothy A; Hollander, Judith M; Keston-Smith, Elise; Ondrechen, Mary Jo; Beuning, Penny J

    2018-02-20

    The process of DNA replication is carried out with high efficiency and accuracy by DNA polymerases. The replicative polymerase in E. coli is DNA Pol III, which is a complex of 10 different subunits that coordinates simultaneous replication on the leading and lagging strands. The 1160-residue Pol III alpha subunit is responsible for the polymerase activity and copies DNA accurately, making one error per 10 5 nucleotide incorporations. The goal of this research is to determine the residues that contribute to the activity of the polymerase subunit. Homology modeling and the computational methods of THEMATICS and POOL were used to predict functionally important amino acid residues through their computed chemical properties. Site-directed mutagenesis and biochemical assays were used to validate these predictions. Primer extension, steady-state single-nucleotide incorporation kinetics, and thermal denaturation assays were performed to understand the contribution of these residues to the function of the polymerase. This work shows that the top 15 residues predicted by POOL, a set that includes the three previously known catalytic aspartate residues, seven remote residues, plus five previously unexplored first-layer residues, are important for function. Six previously unidentified residues, R362, D405, K553, Y686, E688, and H760, are each essential to Pol III activity; three additional residues, Y340, R390, and K758, play important roles in activity.

  8. Using observational methods to evaluate public open spaces and physical activity in Brazil.

    Science.gov (United States)

    Hino A A, F; Reis, Rodrigo S; Ribeiro, Isabela C; Parra, Diana C; Brownson, Ross C; Fermino, Rogerio C

    2010-07-01

    Open public spaces have been identified as important facilities to promote physical activity (PA) at the community level. The main goals of this study are to describe open public spaces user's characteristics and to explore to what extent these characteristics are associated with PA behavior. A system of direct observation was used to evaluate the PA levels on parks and squares (smaller parks) and users's characteristics (gender and age). The 4 parks and 4 squares observed were selected from neighborhoods with different socioeconomic status and environmental characteristics. The settings were observed 3 times a day, 6 days per week, during 2 weeks. More men than women were observed in parks (63.1%) and squares (70.0%) as well as more adults and adolescents than older adults and children. Users were more physically active in parks (men = 34.1%, women = 36.1%) than in squares (men = 25.5%, women 22.8%). The characteristics of public open spaces may affect PA in the observed places. Initiatives to improve PA levels in community settings should consider users' characteristics and preferences to be more effective and reach a larger number of people.

  9. Szilard-Chalmers cation recoil studies in zeolites X and Y. Pt. 3. Recoils from locked to open sites

    Energy Technology Data Exchange (ETDEWEB)

    Lai, P P; Rees, L V.C. [Imperial Coll. of Science and Technology, London (UK)

    1976-01-01

    The Szilard-Chalmers recoil of the cations Rb/sup +/, Cs/sup +/, Ba/sup 2 +/, La/sup 3 +/, Co/sup 2 +/, Zn/sup 2 +/, Cu/sup 2 +/ and Na/sup +/ from the sodalite cage and hexagonal prism sites into the supercage sites of zeolites X and Y has been studied. This study is complementary to that described in Lai et al, JCS Faraday I; 72:181 (1976). It has been found that these cations recoil from the sodalite cage sites into the supercage sites with a probability of approximately 90% whereas the corresponding probability for these cations in the hexagonal prism sites (site I) is between 40 and 50% depending on the cation. It is thus possible to determine the preferences shown by these cations for these 'locked-in' sites as a function of temperature of calcination, Tsub(c), concentration and type of other cations contained in these sites. In these studies the cations present in the supercage sites before irradiation were usually NH/sub 4//sup +/ but Ba/sup 2 +/, Ca/sup 2 +/ and Na/sup +/ have also been used. When Tsub(c) > 400/sup 0/C, Rb/sup +/ and Cs/sup +/ began to populate site I. These ions populated this site in zeolite X at lower calcination temperatures than required for zeolite Y. When Tsub(c) was increased from 110 to 220/sup 0/C the occupancy of site I by Ba/sup 2 +/ was greatly enhanced and when Tsub(c) > 440/sup 0/C Ba/sup 2 +/ ions now occupied this site in preference to all other 'locked-in' sites. Barium exhibited a higher affinity for site I in zeolite X than in zeolite Y when Tsub(c) = 110/sup 0/C. If dehydrated La-Y was assumed to have 5 La/sup 3 +/ ions per u.c. in site I, the hydration of this material did not change the concentration of La/sup 3 +/ in site I. Co/sup 2 +/, Zn/sup 2 +/ and Cu/sup 2 +/ ions all exhibited similar affinities for the 'locked-in' sites of zeolites X and Y.

  10. Assessment of activation products in the Savannah River Site environment

    International Nuclear Information System (INIS)

    Carlton, W.H.; Denham, M.

    1996-07-01

    This document assesses the impact of radioactive activation products released from SRS facilities since the first reactor became operational late in 1953. The isotopes reported here are those whose release resulted in the highest dose to people living near SRS: 32 P, 51 Cr, 60 C, and 65 Zn. Release pathways, emission control features, and annual releases to the aqueous and atmospheric environments are discussed. No single incident has resulted in a major acute release of activation products to the environment. The releases were the result of normal operations of the reactors and separations facilities. Releases declined over the years as better controls were established and production was reduced. The overall radiological impact of SRS activation product atmospheric releases from 1954 through 1994 on the offsite maximally exposed individual can be characterized by a total dose of 0.76 mrem. During the same period, such an individual received a total dose of 14,400 mrem from non-SRS sources of ionizing radiation present in the environment. SRS activation product aqueous releases between 1954 and 1994 resulted in a total dose of 54 mrem to the offsite maximally exposed individual. The impact of SRS activation product releases on offsite populations also has been evaluated

  11. Insights into an intriguing gas sorption mechanism in a polar metal–organic framework with open-metal sites and narrow channels

    KAUST Repository

    Forrest, Katherine A.

    2014-01-01

    Simulations of H2 and CO2 sorption were performed in the metal-organic framework (MOF), [Cu(Me-4py-trz-ia)]. This MOF was recently shown experimentally to exhibit high uptake for H2 and CO2 sorption and this was reproduced and elucidated through the simulations performed herein. Consistent with experiment, the theoretical isosteric heat of adsorption, Qst, values were nearly constant across all loadings for both sorbates. The simulations revealed that sorption directly onto the open-metal sites was not observed in this MOF, ostensibly a consequence of the low partial positive charges of the Cu2+ ions as determined through electronic structure calculations. Sorption was primarily observed between adjacent carboxylate oxygen atoms (site 1) and between nearby methyl groups (site 2) of the organic linkers. In addition, saturation of the most energetically favorable sites (site 1) is possible only after filling a nearby site (site 2) first due to the MOF topology. This suggests that the lack of dependence on loading for the Qst is due to the concurrent filling of sites 1 and 2, leading to an observed average Qst value. © 2014 the Partner Organisations.

  12. Protection of active implant electronics with organosilicon open air plasma coating for plastic overmolding

    Directory of Open Access Journals (Sweden)

    Zeppenfeld Matthias

    2016-09-01

    Full Text Available To overcome challenges for manufacturing of modern smart medical plastic parts by injection molding, e.g. for active implants, the optimization of the interface between electronics and the polymer component concerning adhesion and diffusion behavior is crucial. Our results indicate that a nano-sized SiOxCyHz layer formed by plasma-enhanced chemical vapour deposition (PE-CVD via open air atmospheric pressure plasma jet (APPJ and by use of a hexamthyldisiloxane (HMDSO precursor can form a non-corrosive, anti-permeable and biocompatible coating. Due to the open air character of the APPJ process an inline coating before overmolding could be an easy applicable method and a promising advancement.

  13. Openness as a predictor of political orientation and conventional and unconventional political activism in Western and Eastern Europe.

    Science.gov (United States)

    Roets, Arne; Cornelis, Ilse; Van Hiel, Alain

    2014-01-01

    This study provides a comprehensive investigation of the relationship between Openness and political orientation and activism in Europe. Analyses were conducted on the 4 waves of the European Social Survey, including large representative samples in up to 26 European countries (total N > 175,000). In line with previous studies, a robust, positive relationship between Openness and left-wing political orientation was obtained in Western Europe. However, in Eastern Europe, the relationship between Openness and political orientation was weaker, and reversed in 3 out of 4 waves. Moreover, Openness yielded significant positive relationships with unconventional activism and to a lesser degree with conventional activism. The magnitude of the relationship between Openness and activism was dependent on political orientation and region. Stronger associations between Openness and activism were found for those having a left-wing orientation in Western Europe, whereas in Eastern Europe, Openness was somewhat stronger related to activism for those having a right-wing orientation. In the discussion we elaborate on the role of the geopolitical context in the relationship between Openness and political variables.

  14. The landscape degradation in the mining sites with suspended activity

    Directory of Open Access Journals (Sweden)

    Anca IONCE

    2009-08-01

    Full Text Available The extracting industry, through its extraction activities, of shipping the ores, of breaking the ores, of preparing the practical substances, of stowing the useless rock, of transporting the practical substances, etc. might modify the area’s relief and the quality of ground, of thesurface waters and of the air. Suceava County has an old tradition of mining, where the results of this activity are visible, especially the visual point of view, and where not taking certain measures of ecological remediation will emphasize the disappointing image of the landscape within the areas of mining activity performing.The predominant mountainous landscape, in which mining activities have been held, is being affected also by the abandoned industrial and administrative buildings, in an advanced degradation state.The hydrographic system, very rich in mining areas, has its water quality affected by the acid rock drainage- phenomenon which appeared in many mining waste deposits.

  15. Location and activity specific site-management for military locations

    NARCIS (Netherlands)

    Maring, L.; Hulst, M. van; Meuken, D.

    2009-01-01

    pace is limited in the Netherlands and military activities, that may cause nuisance or environmental hazards, should therefore be considered and evaluated during the use of military locations. The last few years TNO and Deltares have worked on a research program on environmental effects due to

  16. Site directed mutagenesis of amino acid residues at the active site of mouse aldehyde oxidase AOX1.

    Directory of Open Access Journals (Sweden)

    Silvia Schumann

    Full Text Available Mouse aldehyde oxidase (mAOX1 forms a homodimer and belongs to the xanthine oxidase family of molybdoenzymes which are characterized by an essential equatorial sulfur ligand coordinated to the molybdenum atom. In general, mammalian AOs are characterized by broad substrate specificity and an yet obscure physiological function. To define the physiological substrates and the enzymatic characteristics of mAOX1, we established a system for the heterologous expression of the enzyme in Escherichia coli. The recombinant protein showed spectral features and a range of substrate specificity similar to the native protein purified from mouse liver. The EPR data of recombinant mAOX1 were similar to those of AO from rabbit liver, but differed from the homologous xanthine oxidoreductase enzymes. Site-directed mutagenesis of amino acids Val806, Met884 and Glu1265 at the active site resulted in a drastic decrease in the oxidation of aldehydes with no increase in the oxidation of purine substrates. The double mutant V806E/M884R and the single mutant E1265Q were catalytically inactive enzymes regardless of the aldehyde or purine substrates tested. Our results show that only Glu1265 is essential for the catalytic activity by initiating the base-catalyzed mechanism of substrate oxidation. In addition, it is concluded that the substrate specificity of molybdo-flavoenzymes is more complex and not only defined by the three characterized amino acids in the active site.

  17. Rehabilitating a landfill site of lowland tropical landscape into an urban green space: A case study from the Open University of Sri Lanka

    OpenAIRE

    B.D. Madurapperuma; K.A.J.M. Kuruppuarachchi

    2016-01-01

    This study examines vegetation, carbon sequestration, and spatial and temporal changes of green space at the premises of the Open University of Sri Lanka (OUSL). The primary objective of this study is to examine floral diversity of the OUSL premises that was rehabilitated from a landfill site and to determine suitable trees for landfill sites based on growth performance and biomass carbon stocks. The girth and height of plants ⩾5 cm dbh were measured to estimate biomass carbon stocks of each ...

  18. Dynamics of water molecules in the active-site cavity of human cytochromes P450

    DEFF Research Database (Denmark)

    Rydberg, Patrik; Rod, Thomas Holm; Olsen, Lars

    2007-01-01

    We have studied the dynamics of water molecules in six crystal structures of four human cytochromes P450, 2A6, 2C8, 2C9, and 3A4, with molecular dynamics simulations. In the crystal structures, only a few water molecules are seen and the reported sizes of the active-site cavity vary a lot....... In the simulations, the cavities are completely filled with water molecules, although with approximately 20% lower density than in bulk water. The 2A6 protein differs from the other three in that it has a very small cavity with only two water molecules and no exchange with the surroundings. The other three proteins...... channels, through which there is a quite frequent exchange of water molecules (one molecule is exchanged every 30-200 ps), except in 2A6. Most of the channels are observed also in the crystal structures, but two to three channels in each protein open only during the simulations. There are no water...

  19. Rac1 GTPase activates the WAVE regulatory complex through two distinct binding sites

    Science.gov (United States)

    Brautigam, Chad A; Xing, Wenmin; Yang, Sheng; Henry, Lisa; Doolittle, Lynda K; Walz, Thomas

    2017-01-01

    The Rho GTPase Rac1 activates the WAVE regulatory complex (WRC) to drive Arp2/3 complex-mediated actin polymerization, which underpins diverse cellular processes. Here we report the structure of a WRC-Rac1 complex determined by cryo-electron microscopy. Surprisingly, Rac1 is not located at the binding site on the Sra1 subunit of the WRC previously identified by mutagenesis and biochemical data. Rather, it binds to a distinct, conserved site on the opposite end of Sra1. Biophysical and biochemical data on WRC mutants confirm that Rac1 binds to both sites, with the newly identified site having higher affinity and both sites required for WRC activation. Our data reveal that the WRC is activated by simultaneous engagement of two Rac1 molecules, suggesting a mechanism by which cells may sense the density of active Rac1 at membranes to precisely control actin assembly. PMID:28949297

  20. Molecular Basis for Enzymatic Sulfite Oxidation -- HOW THREE CONSERVED ACTIVE SITE RESIDUES SHAPE ENZYME ACTIVITY

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, Susan; Rapson, Trevor; Johnson-Winters, Kayunta; Astashkin, Andrei; Enemark, John; Kappler, Ulrike

    2008-11-10

    Sulfite dehydrogenases (SDHs) catalyze the oxidation and detoxification of sulfite to sulfate, a reaction critical to all forms of life. Sulfite-oxidizing enzymes contain three conserved active site amino acids (Arg-55, His-57, and Tyr-236) that are crucial for catalytic competency. Here we have studied the kinetic and structural effects of two novel and one previously reported substitution (R55M, H57A, Y236F) in these residues on SDH catalysis. Both Arg-55 and His-57 were found to have key roles in substrate binding. An R55M substitution increased Km(sulfite)(app) by 2-3 orders of magnitude, whereas His-57 was required for maintaining a high substrate affinity at low pH when the imidazole ring is fully protonated. This effect may be mediated by interactions of His-57 with Arg-55 that stabilize the position of the Arg-55 side chain or, alternatively, may reflect changes in the protonation state of sulfite. Unlike what is seen for SDHWT and SDHY236F, the catalytic turnover rates of SDHR55M and SDHH57A are relatively insensitive to pH (~;;60 and 200 s-1, respectively). On the structural level, striking kinetic effects appeared to correlate with disorder (in SDHH57A and SDHY236F) or absence of Arg-55 (SDHR55M), suggesting that Arg-55 and the hydrogen bonding interactions it engages in are crucial for substrate binding and catalysis. The structure of SDHR55M has sulfate bound at the active site, a fact that coincides with a significant increase in the inhibitory effect of sulfate in SDHR55M. Thus, Arg-55 also appears to be involved in enabling discrimination between the substrate and product in SDH.

  1. Lipolytic activity from bacteria prospected in polluted portuary sites

    Directory of Open Access Journals (Sweden)

    Kaori Levy Fonseca

    2014-06-01

    This study demonstrates that these TBT resistant isolates have, at the same time, the capacity to produce enzymes with a large biotechnological potential but, nevertheless, their relationship is not well understood, representing a novel approach. It is expected for these organisms to produce highly biotechnological relevant biocatalysts, due to their severe adaptations (Suehiro et al., 2007. The fully characterization of these lipases, mostly for F3 with elevated lipolytic activity exhibited, presents also a future challenge.

  2. Time Multiplexed Active Neural Probe with 1356 Parallel Recording Sites

    Directory of Open Access Journals (Sweden)

    Bogdan C. Raducanu

    2017-10-01

    Full Text Available We present a high electrode density and high channel count CMOS (complementary metal-oxide-semiconductor active neural probe containing 1344 neuron sized recording pixels (20 µm × 20 µm and 12 reference pixels (20 µm × 80 µm, densely packed on a 50 µm thick, 100 µm wide, and 8 mm long shank. The active electrodes or pixels consist of dedicated in-situ circuits for signal source amplification, which are directly located under each electrode. The probe supports the simultaneous recording of all 1356 electrodes with sufficient signal to noise ratio for typical neuroscience applications. For enhanced performance, further noise reduction can be achieved while using half of the electrodes (678. Both of these numbers considerably surpass the state-of-the art active neural probes in both electrode count and number of recording channels. The measured input referred noise in the action potential band is 12.4 µVrms, while using 678 electrodes, with just 3 µW power dissipation per pixel and 45 µW per read-out channel (including data transmission.

  3. Temporalis and masseter muscle activity in patients with anterior open bite and craniomandibular disorders

    DEFF Research Database (Denmark)

    Bakke, Merete; Michler, L

    1991-01-01

    values, particularly in subjects with muscular affection, but maximal activity increased significantly when biting on the splint. Maximal voluntary contraction was positively correlated to molar contact and negatively to anterior face height, mandibular inclination, vertical jaw relation and gonial angle......Activity in temporalis and masseter muscles, and traits of facial morphology and occlusal stability were studied in 22 patients (19 women, 3 men; 15-45 yr of age) with anterior open bite and symptoms and signs of craniomandibular disorders. Facial morphology was assessed by profile radiographs......, occlusal stability by tooth contacts, and craniomandibular function by clinical and radiological examination. Electromyographic activity was recorded by surface electrodes after primary treatment with a reflex-releasing, stabilizing splint. Maximal voluntary contraction was reduced compared to reference...

  4. Characterization and restoration of performance of {open_quotes}aged{close_quotes} radioiodine removing activated carbons

    Energy Technology Data Exchange (ETDEWEB)

    Freeman, W.P. [NUCON International, Inc., Columbus, OH (United States)

    1997-08-01

    The degradation of radioiodine removal performance for impregnated activated carbons because of ageing is well established. However, the causes for this degradation remain unclear. One theory is that this reduction in performance from the ageing process results from an oxidation of the surface of the carbon. Radioiodine removing activated carbons that failed radioiodine removal tests showed an oxidized surface that had become hydrophilic compared with new carbons. We attempted to restore the performance of these {open_quotes}failed{close_quotes} carbons with a combination of thermal and chemical treatment. The results of these investigations are presented and discussed with the view of extending the life of radioiodine removing activated carbons. 4 refs., 2 tabs.

  5. Cooperative activation of cardiac transcription through myocardin bridging of paired MEF2 sites

    Energy Technology Data Exchange (ETDEWEB)

    Anderson, Courtney M. [Univ. of California, San Francisco, CA (United States). Cardiovascular Research Inst.; Hu, Jianxin [Univ. of California, San Francisco, CA (United States). Cardiovascular Research Inst.; Thomas, Reuben [Univ. of California, San Francisco, CA (United States). Gladstone Inst.; Gainous, T. Blair [Univ. of California, San Francisco, CA (United States). Cardiovascular Research Inst.; Celona, Barbara [Univ. of California, San Francisco, CA (United States). Cardiovascular Research Inst.; Sinha, Tanvi [Univ. of California, San Francisco, CA (United States). Cardiovascular Research Inst.; Dickel, Diane E. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Genomics Division; Heidt, Analeah B. [Univ. of California, San Francisco, CA (United States). Cardiovascular Research Inst.; Xu, Shan-Mei [Univ. of California, San Francisco, CA (United States). Cardiovascular Research Inst.; Bruneau, Benoit G. [Univ. of California, San Francisco, CA (United States). Cardiovascular Research Inst.; Univ. of California, San Francisco, CA (United States). Gladstone Inst.; Pollard, Katherine S. [Univ. of California, San Francisco, CA (United States). Gladstone Inst.; Pennacchio, Len A. [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Genomics Division; Black, Brian L. [Univ. of California, San Francisco, CA (United States). Cardiovascular Research Inst.; Univ. of California, San Francisco, CA (United States). Dept. of

    2017-03-28

    Enhancers frequently contain multiple binding sites for the same transcription factor. These homotypic binding sites often exhibit synergy, whereby the transcriptional output from two or more binding sites is greater than the sum of the contributions of the individual binding sites alone. Although this phenomenon is frequently observed, the mechanistic basis for homotypic binding site synergy is poorly understood. Here in this paper, we identify a bona fide cardiac-specific Prkaa2 enhancer that is synergistically activated by homotypic MEF2 binding sites. We show that two MEF2 sites in the enhancer function cooperatively due to bridging of the MEF2C-bound sites by the SAP domain-containing co-activator protein myocardin, and we show that paired sites buffer the enhancer from integration site-dependent effects on transcription in vivo. Paired MEF2 sites are prevalent in cardiac enhancers, suggesting that this might be a common mechanism underlying synergy in the control of cardiac gene expression in vivo.

  6. Recent progress in volcanism studies: Site characterization activities for the Yucca Mountain site characterization project

    International Nuclear Information System (INIS)

    Crowe, B.M.; Valentine, G.; Morley, R.; Perry, F.V.

    1992-01-01

    Significant progress has been made on volcanism studies over the past calendar year. There are a number of major highlights from this work. Geochronology data have been obtained for the Lathrop Wells center using a range of isotopic, radiogenic, and age-calibrated methods. Initial work is encouraging but still insufficient to resolve the age of the center with confidence. Geologic mapping of the Sleeping Butte volcanic centers was completed and a report issued on the geology and chronology data. Twenty shallow trenches have been constructed in volcanic units of the Lathrop Wells volcanic center. Results of detailed studies of the trenches support a polycyclic eruptive history. New soil data from the trenches continue to support a late Pleistocene or Holocene age for many of the volcanic units at the center. Geochemical data (trace element and isotopic analysis) show that the volcanic units of the Lathrop Wells center cannot be related to one another by fractional crystallization of a single magma batch, supporting a polycyclic model of volcanism. Structural models using existing data are used to evaluate the probability of magmatic disruption of a potential repository. Several permissive models have been developed but none lead to significant differences in calculating the disruption ratio. Work was initiated on the eruptive and subsurface effects of magmatic activity on a repository. (author)

  7. Bananas, allegators, and open-quotes hot rocks that shoot ghost bulletsclose quotes: Sitings along the trail to an MRS

    International Nuclear Information System (INIS)

    Trebules, V.; Kane, D.

    1994-01-01

    Building new electric power facilities in a community used to be greeted warmly by that community. However, during the 20 year hiatus in power plant siting, opposition to siting just about every kind of facility has grown. The challenge to site a monitored retrievable storage (MRS) facility for the temporary storage of commercial spent nuclear fuel is monumental but not insurmountable. The safety and environmental records on commercial spent-fuel storage to date are impressive. This article gives an overall perspective on siting an MRS. Topics covered include the following: the Nuclear waste Policy Act; the Nuclear Waste Negotiator; DOE's Feasibility Grand's program; Looking back at past efforts; using portable information in some areas; and where the efforts go now in trying to site a MRS

  8. Diagnosis of abnormal patterns in multivariate microclimate monitoring: a case study of an open-air archaeological site in Pompeii (Italy).

    Science.gov (United States)

    Merello, Paloma; García-Diego, Fernando-Juan; Zarzo, Manuel

    2014-08-01

    Chemometrics has been applied successfully since the 1990s for the multivariate statistical control of industrial processes. A new area of interest for these tools is the microclimatic monitoring of cultural heritage. Sensors record climatic parameters over time and statistical data analysis is performed to obtain valuable information for preventive conservation. A case study of an open-air archaeological site is presented here. A set of 26 temperature and relative humidity data-loggers was installed in four rooms of Ariadne's house (Pompeii). If climatic values are recorded versus time at different positions, the resulting data structure is equivalent to records of physical parameters registered at several points of a continuous chemical process. However, there is an important difference in this case: continuous processes are controlled to reach a steady state, whilst open-air sites undergo tremendous fluctuations. Although data from continuous processes are usually column-centred prior to applying principal components analysis, it turned out that another pre-treatment (row-centred data) was more convenient for the interpretation of components and to identify abnormal patterns. The detection of typical trajectories was more straightforward by dividing the whole monitored period into several sub-periods, because the marked climatic fluctuations throughout the year affect the correlation structures. The proposed statistical methodology is of interest for the microclimatic monitoring of cultural heritage, particularly in the case of open-air or semi-confined archaeological sites. Copyright © 2014 Elsevier B.V. All rights reserved.

  9. Highly Active N,O Zinc Guanidine Catalysts for the Ring-Opening Polymerization of Lactide.

    Science.gov (United States)

    Schäfer, Pascal M; Fuchs, Martin; Ohligschläger, Andreas; Rittinghaus, Ruth; McKeown, Paul; Akin, Enver; Schmidt, Maximilian; Hoffmann, Alexander; Liauw, Marcel A; Jones, Matthew D; Herres-Pawlis, Sonja

    2017-09-22

    New zinc guanidine complexes with N,O donor functionalities were prepared, characterized by X-Ray crystallography, and examined for their catalytic activity in the solvent-free ring-opening polymerization (ROP) of technical-grade rac-lactide at 150 °C. All complexes showed a high activity. The fastest complex [ZnCl 2 (DMEGasme)] (C1) produced colorless poly(lactide) (PLA) after 90 min with a conversion of 52 % and high molar masses (M w =69 100, polydispersity=1.4). The complexes were tested with different monomer-to-initiator ratios to determine the rate constant k p . Furthermore, a polymerization with the most active complex C1 was monitored by in situ Raman spectroscopy. Overall, conversion of up to 90 % can be obtained. End-group analysis was performed to clarify the mechanism. All four complexes combine robustness against impurities in the lactide with high polymerization rates, and they represent the fastest robust lactide ROP catalysts to date, opening new avenues to a sustainable ROP catalyst family for industrial use. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Lactate Dehydrogenase and Oxidative Stress Activity in Primary Open-Angle Glaucoma Aqueous Humour

    Directory of Open Access Journals (Sweden)

    Predrag Jovanović

    2010-02-01

    Full Text Available Lactate dehydrogenase (LDH and lactate are some of the hypoxy biochemical parameters. Extracellular activity of this enzyme increases under the condition of oxidative stress, since the cell integrity can be disrupted during the lipid peroxidation process. Subsequently that leads to the increase level of the lactic acid and lactic acid salts. The objective of this investigation is establishing the level of LDH, LDH1 (HBDH and the lactate concentration in aqueous humour in patients with primary open-angle glaucoma.Biochemical analysis have been made by enzymatic-colometric method (lactate and UV-kinetic method (LDH and HBDH in aqueous humour of 30 patients (42 eyes with primary open-angle glaucoma (POAG and 30 patients (40 eyes with cataract (the control group.The increased values of lactate and the activity of LDH and HBDH enzyme in aqueous humour of POAG patients in correlation with the control group are the results not only of oxidative stress but also of hypoxy and the mitochondry oxidative function (p<0,001.The increased activity of the examined biochemical parameters in the aqueous humour of the POAG patients points to the fact that other mechanisms, besides IOP, have a role in glaucoma pathogenesis.

  11. Study of 3D visualization of fast active reflector based on openGL and EPICS

    International Nuclear Information System (INIS)

    Luo Mingcheng; Wu Wenqing; Liu Jiajing; Tang Pengyi; Wang Jian

    2014-01-01

    Active Reflector is the one of the innovations of Five hundred meter Aperture Spherical Telescope (FAST). Its performance will influence the performance of whole telescope and for display all status of ARS in real time, the EPICS (Experimental Physics and Industrial Control System) is used to develop the control system of ARS and virtual 3D technology-OpenGL is used to visualize the status. For the real-time performance of EPICS, the status visualization is also display in real time for users to improve the efficiency of telescope observing. (authors)

  12. Essential histidyl residues at the active site(s) of sucrose-phosphate synthase from Prosopis juliflora.

    Science.gov (United States)

    Sinha, A K; Pathre, U V; Sane, P V

    1998-11-10

    Chemical modification of sucrose-phosphate synthase (EC 2.4.1.14) from Prosopis juliflora by diethyl pyrocarbonate (DEP) and photo-oxidation in the presence of rose bengal (RB) which modify the histidyl residues of the protein resulted in the inactivation of the enzyme activity. This inactivation was dependent on the concentration of the modifying reagent and the time of incubation and followed pseudo-first order kinetics. For both the reagents, the inactivation was maximum at pH 7.5, which is consistent with the involvement and presence of histidine residues at the active site of the enzyme. Substrates, UDPG and F6P protected the enzyme against the inactivation by the modifying reagents suggesting that the histidine residues may be involved in the binding of these substrates and are essential for the catalytic activity. Specificity of DEP was indicated by an increase in absorbance at 240 nm along with concomitant inactivation of the enzyme and reactivation of the modified enzyme by hydroxylamine. These results strongly suggest the presence of histidine residue(s) at or near the active site of the enzyme.

  13. Open-Access Physical Activity Programs for Older Adults: A Pragmatic and Systematic Review.

    Science.gov (United States)

    Balis, Laura E; Strayer, Thomas; Ramalingam, NithyaPriya; Wilson, Meghan; Harden, Samantha M

    2018-01-10

    Open-access, community-based programs are recommended to assist older adults in meeting physical activity guidelines, but the characteristics, impact, and scalability of these programs is less understood. The Land-Grant University Cooperative Extension System, an organization providing education through county-based educators, functions as a delivery system for these programs. A systematic review was conducted to determine characteristics of effective older adult physical activity programs and the extent to which programs delivered in Extension employ these characteristics. A systematic review of peer-reviewed and grey literature was conducted from August 2016 to February 2017. The review was limited to open-access (available to all), community-based physical activity interventions for older adults (≥65 years of age). The peer-reviewed literature search was conducted in PubMed and EBSCOhost; the grey literature search for Extension interventions was conducted through Extension websites, Land-Grant Impacts, and the Journal of Extension. Sixteen peer-reviewed studies and 17 grey literature sources met inclusion criteria and were analyzed. Peer-reviewed and Extension programs were similar in their limited use of behavioral theories and group-based strategies. Compared to Extension programs, those in the peer-reviewed literature were more likely to use a combination of physical activity components and be delivered by trained professionals. The results indicate notable differences between peer-reviewed literature and Extension programs and present an opportunity for Extension programs to more effectively use evidence-based program characteristics, including behavioral theories and group dynamics, a combination of physical activity components, and educator/agent-trained delivery agents. © The Author(s) 2017. Published by Oxford University Press on behalf of The Gerontological Society of America. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

  14. The Case of Open Leisure Activities Organized in Swedish Local Councils: The Role of Citizenship and Entrepreneurship Skills Development

    Science.gov (United States)

    Lindström, Lisbeth

    2016-01-01

    In this article, we contribute to theory by integrating literature on citizenship and entrepreneurship, based on which we develop a framework for how personal development is achieved for young people in the context of open leisure activities. The empirical material in this study consists of survey data collected in Swedish open leisure centers. A…

  15. Chemical Concentrations in Field Mice from Open-Detonation Firing Sites TA-36 Minie and TA-39 Point 6 at Los Alamos National Laboratory

    Energy Technology Data Exchange (ETDEWEB)

    Fresquez, Philip R. [Los Alamos National Laboratory

    2011-01-01

    Field mice (mostly Peromyscus spp.) were collected at two open-detonation (high explosive) firing sites - Minie at Technical Area (TA) 36 and Point 6 at TA-39 - at Los Alamos National Laboratory in August of 2010 and in February of 2011 for chemical analysis. Samples of whole body field mice from both sites were analyzed for target analyte list elements (mostly metals), dioxin/furans, polychlorinated biphenyl congeners, high explosives, and perchlorate. In addition, uranium isotopes were analyzed in a composite sample collected from TA-36 Minie. In general, all constituents, with the exception of lead at TA-39 Point 6, in whole body field mice samples collected from these two open-detonation firing sites were either not detected or they were detected below regional statistical reference levels (99% confidence level), biota dose screening levels, and/or soil ecological chemical screening levels. The amount of lead in field mice tissue collected from TA-39 Point 6 was higher than regional background, and some lead levels in the soil were higher than the ecological screening level for the field mouse; however, these levels are not expected to affect the viability of the populations over the site as a whole.

  16. Introduction to Envirocare of Utah's low activity radioactive waste disposal site located at Clive, Utah

    International Nuclear Information System (INIS)

    Anon.

    1988-01-01

    Envirocare of Utah was licensed by the state of Utah on February 2, 1988, to become fully operational to receive low-activity radioactive waste at its disposal site near Clive, Utah. This paper discusses the organization of the firm, political support, acceptable materials, benefits of the operation, site characteristics, construction, health physics program, and environmental program

  17. Neutron activation analysis to the profile surface sediments from several sites on the Havana Bay

    International Nuclear Information System (INIS)

    Diaz Riso, O.; Gelen, A.; Lopez, N.; Gonzalez, H.; Manso, M.V.; Graciano, A.M.; Nogueira, C.A.; Beltran, J.; Soto, J.

    2003-01-01

    Instrumental neutron activation analysis (INAA) technique was employed to analyze the surface sediments from several sites on the Havana Bay, Cuba. Measurements of heavy and trace elements in the sediments are reported. The results show that the concentration of the elements is site dependent. The data suggest that an anthropogenic input into the bay from domestic sewage and industries occurred

  18. Unmasking tandem site interaction in human acetylcholinesterase. Substrate activation with a cationic acetanilide substrate.

    Science.gov (United States)

    Johnson, Joseph L; Cusack, Bernadette; Davies, Matthew P; Fauq, Abdul; Rosenberry, Terrone L

    2003-05-13

    Acetylcholinesterase (AChE) contains a narrow and deep active site gorge with two sites of ligand binding, an acylation site (or A-site) at the base of the gorge, and a peripheral site (or P-site) near the gorge entrance. The P-site contributes to catalytic efficiency by transiently binding substrates on their way to the acylation site, where a short-lived acyl enzyme intermediate is produced. A conformational interaction between the A- and P-sites has recently been found to modulate ligand affinities. We now demonstrate that this interaction is of functional importance by showing that the acetylation rate constant of a substrate bound to the A-site is increased by a factor a when a second molecule of substrate binds to the P-site. This demonstration became feasible through the introduction of a new acetanilide substrate analogue of acetylcholine, 3-(acetamido)-N,N,N-trimethylanilinium (ATMA), for which a = 4. This substrate has a low acetylation rate constant and equilibrates with the catalytic site, allowing a tractable algebraic solution to the rate equation for substrate hydrolysis. ATMA affinities for the A- and P-sites deduced from the kinetic analysis were confirmed by fluorescence titration with thioflavin T as a reporter ligand. Values of a >1 give rise to a hydrolysis profile called substrate activation, and the AChE site-specific mutant W86F, and to a lesser extent wild-type human AChE itself, showed substrate activation with acetylthiocholine as the substrate. Substrate activation was incorporated into a previous catalytic scheme for AChE in which a bound P-site ligand can also block product dissociation from the A-site, and two additional features of the AChE catalytic pathway were revealed. First, the ability of a bound P-site ligand to increase the substrate acetylation rate constant varied with the structure of the ligand: thioflavin T accelerated ATMA acetylation by a factor a(2) of 1.3, while propidium failed to accelerate. Second, catalytic rate

  19. Temporal and Spatial Patterns of Neural Activity Associated with Information Selection in Open-ended Creativity.

    Science.gov (United States)

    Zhou, Siyuan; Chen, Shi; Wang, Shuang; Zhao, Qingbai; Zhou, Zhijin; Lu, Chunming

    2018-02-10

    Novel information selection is a crucial process in creativity and was found to be associated with frontal-temporal functional connectivity in the right brain in closed-ended creativity. Since it has distinct cognitive processing from closed-ended creativity, the information selection in open-ended creativity might be underlain by different neural activity. To address this issue, a creative generation task of Chinese two-part allegorical sayings was adopted, and the trials were classified into novel and normal solutions according to participants' self-ratings. The results showed that (1) novel solutions induced a higher lower alpha power in the temporal area, which might be associated with the automatic, unconscious mental process of retrieving extensive semantic information, and (2) upper alpha power in both frontal and temporal areas and frontal-temporal alpha coherence were higher in novel solutions than in normal solutions, which might reflect the selective inhibition of semantic information. Furthermore, lower alpha power in the temporal area showed a reduction with time, while the frontal-temporal and temporal-temporal coherence in the upper alpha band appeared to increase from the early to the middle phase. These dynamic changes in neural activity might reflect the transformation from divergent thinking to convergent thinking in the creative progress. The advantage of the right brain in frontal-temporal connectivity was not found in the present work, which might result from the diversity of solutions in open-ended creativity. Copyright © 2017 IBRO. Published by Elsevier Ltd. All rights reserved.

  20. 1993 annual report of hazardous waste activities for the Oak Ridge K-25 site

    Energy Technology Data Exchange (ETDEWEB)

    1994-02-01

    This report is a detailed listing of all of the Hazardous Waste activities occurring at Martin Marietta`s K-25 site. Contained herein are hazardous waste notification forms, waste stream reports, generator fee forms and various TSDR reports.

  1. 1993 annual report of hazardous waste activities for the Oak Ridge K-25 site

    International Nuclear Information System (INIS)

    1994-02-01

    This report is a detailed listing of all of the Hazardous Waste activities occurring at Martin Marietta's K-25 site. Contained herein are hazardous waste notification forms, waste stream reports, generator fee forms and various TSDR reports

  2. Anisotropic Covalency Contributions to Superexchange Pathways in Type One Copper Active Sites

    Science.gov (United States)

    2015-01-01

    Type one (T1) Cu sites deliver electrons to catalytic Cu active sites: the mononuclear type two (T2) Cu site in nitrite reductases (NiRs) and the trinuclear Cu cluster in the multicopper oxidases (MCOs). The T1 Cu and the remote catalytic sites are connected via a Cys-His intramolecular electron-transfer (ET) bridge, which contains two potential ET pathways: P1 through the protein backbone and P2 through the H-bond between the Cys and the His. The high covalency of the T1 Cu–S(Cys) bond is shown here to activate the T1 Cu site for hole superexchange via occupied valence orbitals of the bridge. This covalency-activated electronic coupling (HDA) facilitates long-range ET through both pathways. These pathways can be selectively activated depending on the geometric and electronic structure of the T1 Cu site and thus the anisotropic covalency of the T1 Cu–S(Cys) bond. In NiRs, blue (π-type) T1 sites utilize P1 and green (σ-type) T1 sites utilize P2, with P2 being more efficient. Comparing the MCOs to NiRs, the second-sphere environment changes the conformation of the Cys-His pathway, which selectively activates HDA for superexchange by blue π sites for efficient turnover in catalysis. These studies show that a given protein bridge, here Cys-His, provides different superexchange pathways and electronic couplings depending on the anisotropic covalencies of the donor and acceptor metal sites. PMID:25310460

  3. Poisoning Experiments Aimed at Discriminating Active and Less-Active Sites of Silica-Supported Tantalum Hydride for Alkane Metathesis

    KAUST Repository

    Saggio, Guillaume

    2010-10-04

    Only 50% of the silica-supported tantalum hydride sites are active in the metathesis of propane. Indeed, more than 45% of the tantalum hydride can be eliminated by a selective oxygen poisoning of inactive sites with no significant decrease in the global turnover. Conversely, cyclopentane induces no such selective poisoning. Hence, the active tantalum hydride sites that show greater resistance to oxygen poisoning correspond to the νTa-H bands of higher wavenumbers, particularly that at 1860cm-1. These active tantalum hydride sites should correspond to tris- or monohydride species relatively far from silica surface oxygen atoms. © 2010 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Alaska Open-file Report 144 Assessment of Thermal Springs Sites Aleutian Arc, Atka Island to Becherof Lake -- Preliminary Results and Evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Motyka, R.J.; Moorman, M.A.; Liss, S.A.

    1981-12-01

    Twenty of more than 30 thermal spring areas reported to exist in the Aleutian arc extending from Atka Island to Becherof Lake were investigated during July and August, 1980. Thermal activity of three of these sites had diminished substantially or no longer existed. At least seven more sites where thermal-spring activity is probable or certain were not visited because of their remoteness or because of time constraints. The existence of several other reported thermal spring sites could not be verified; these sites are considered questionable. On the basis of geothermometry, subsurface reservoir temperatures in excess of 150 C are estimated for 10 of the thermal spring sites investigated. These sites all occur in or near regions of Recent volcanism. Five of the sites are characterized by fumaroles and steaming ground, indicating the presence of at least a shallow vapor-dominated zone. Two, the Makushin Valley and Glacier Valley thermal areas, occur on the flanks of active Mukushin Volcano located on Unalaska Island, and may be connected to a common source of heat. Gas geothermometry suggests that the reservoir feeding the Kliuchef thermal field, located on the flanks of Kliuchef volcano of northeast Atka Island, may be as high as 239 C.

  5. Low Cost Open-Path Instrument for Monitoring Surface Carbon Dioxide at Sequestration Sites Phase I SBIR Final Report

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Sheng

    2012-10-02

    Public confidence in safety is a prerequisite to the success of carbon dioxide (CO2) capture and storage for any program that intends to mitigate greenhouse gas emissions. In that regard, this project addresses the security of CO2 containment by undertaking development of what is called an open path device to measure CO2 concentrations near the ground above a CO2 storage area.

  6. Concept for calculating dose rates from activated groundwater at accelerator sites

    CERN Document Server

    Prolingheuer, N; Vanderborght, J; Schlögl, B; Nabbi, R; Moormann, R

    Licensing of particle accelerators requires the proof that the groundwater outside of the site will not be significantly contaminated by activation products formed below accelerator and target. In order to reduce the effort for this proof, a site independent simplified but conservative method is under development. The conventional approach for calculation of activation of soil and groundwater is shortly described on example of a site close to Forschungszentrum Juelich, Germany. Additionally an updated overview of a data library for partition coefficients for relevant nuclides transported in the aquifer at the site is presented. The approximate model for transport of nuclides with ground water including exemplary results on nuclide concentrations outside of the site boundary and of resulting effective doses is described. Further applications and developments are finally outlined.

  7. Functional characterization of autophosphorylation sites of the activated insulin receptor-tyrosine kinase

    International Nuclear Information System (INIS)

    Flores-Riveros, J.R.; Lane, M.D.

    1987-01-01

    Insulin receptor, solubilized from 3T3-L1 cellular membranes and then purified, was autophosphorylated with [γ- 32 P]ATP in the absence or presence of insulin. Specific phosphopeptides generated by trypsin digestion of the 32 P-labeled β-subunit were identified and separated by reverse phase HPLC. In the absence of insulin, radioactivity of the phosphopeptides is evenly distributed among four major peaks designated as sites I, II, III and IV, according to their order of elution. This pattern is maintained for at least the first 30 min of autophosphorylation. When the reaction is carried out in the presence of insulin, > 50% of the total 32 P radioactivity is found in site I and the rate of 32 P incorporation into this site is markedly higher than into sites II, III and IV. Maximal activation of tyrosine kinase activity, as estimated by substrate phosphorylation, is coincident with the nearly complete phosphorylation of site I. Delayed activation of previously autophosphorylated receptor by insulin, but not by EGF or IGF-I, produced a similar pattern where phosphorylated site I predominates. These observations indicate that one major insulin-regulated autophosphorylation site in the β-subunit is responsible for activation of the insulin receptor tyrosine kinase. The isolation of this phosphopeptide on a preparative scale and its characterization are now in progress

  8. Quantifying over-activity in bipolar and schizophrenia patients in a human open field paradigm.

    Science.gov (United States)

    Perry, William; Minassian, Arpi; Henry, Brook; Kincaid, Meegin; Young, Jared W; Geyer, Mark A

    2010-06-30

    It has been suggested that a cardinal symptom of mania is over-activity and exaggerated goal-directed behavior. Nevertheless, few attempts have been made to quantify this behavior objectively in a laboratory environment. Having a methodology to assess over-activity reliably might be useful in distinguishing manic bipolar disorder (BD) from schizophrenia (SCZ) during highly activated states. In the current study, quantifiable measures of object interaction were assessed using a multivariate approach. Additionally, symptom correlates of over-activity were assessed. Patients admitted to an acute care psychiatric hospital for either BD with mania or SCZ (paranoid and non-paranoid subtypes) as well as non-patient comparison (NC) participants were assessed in an open field setting referred to as the human Behavioral Pattern Monitor (hBPM). Activity and interactions with novel and engaging objects were recorded for 15min via a concealed video camera and rated for exploratory behavior. Both BD and SCZ patients spent more time near the objects and exhibited more overall walking compared to NC. In contrast, BD patients exhibited greater physical contact with objects (number of object interactions and time spent with objects) relative to SCZ patients or NC participants, as well as more perseverative and socially disinhibited behaviors, indicating a unique pattern of over-activity and goal-directed behavior. Further analyses revealed a distinction between SCZ patients according to their subtype. The current study extends our methodology for quantifying exploration and over-activity in a controlled laboratory setting and aids in assessing the overlap and distinguishing characteristics of BD and SCZ.

  9. Molecular dynamics explorations of active site structure in designed and evolved enzymes.

    Science.gov (United States)

    Osuna, Sílvia; Jiménez-Osés, Gonzalo; Noey, Elizabeth L; Houk, K N

    2015-04-21

    This Account describes the use of molecular dynamics (MD) simulations to reveal how mutations alter the structure and organization of enzyme active sites. As proposed by Pauling about 70 years ago and elaborated by many others since then, biocatalysis is efficient when functional groups in the active site of an enzyme are in optimal positions for transition state stabilization. Changes in mechanism and covalent interactions are often critical parts of enzyme catalysis. We describe our explorations of the dynamical preorganization of active sites using MD, studying the fluctuations between active and inactive conformations normally concealed to static crystallography. MD shows how the various arrangements of active site residues influence the free energy of the transition state and relates the populations of the catalytic conformational ensemble to the enzyme activity. This Account is organized around three case studies from our laboratory. We first describe the importance of dynamics in evaluating a series of computationally designed and experimentally evolved enzymes for the Kemp elimination, a popular subject in the enzyme design field. We find that the dynamics of the active site is influenced not only by the original sequence design and subsequent mutations but also by the nature of the ligand present in the active site. In the second example, we show how microsecond MD has been used to uncover the role of remote mutations in the active site dynamics and catalysis of a transesterase, LovD. This enzyme was evolved by Tang at UCLA and Codexis, Inc., and is a useful commercial catalyst for the production of the drug simvastatin. X-ray analysis of inactive and active mutants did not reveal differences in the active sites, but relatively long time scale MD in solution showed that the active site of the wild-type enzyme preorganizes only upon binding of the acyl carrier protein (ACP) that delivers the natural acyl group to the active site. In the absence of bound ACP

  10. The status of siting activities for a low level waste repository in the Philippines

    International Nuclear Information System (INIS)

    Valdezco, E.M.; Visitacion, M.; Palattao, B.; Marcelo, E.A.; Venida, L.L.

    2001-01-01

    The process of site selection for a low level waste repository was initiated in 1976 when the Philippine Government decided to go nuclear and constructed the first Philippine Nuclear Power Plant in the Bataan Peninsula. However, all siting activities were suspended when the nuclear power plant was mothballed and the final decision was made to convert the plant into a combined cycle power plant. In 1995, an inter-agency committee was created under the Nuclear Power Steering Committee and mandated to conduct studies on siting of radioactive waste disposal facilities, and at the same time, perform R and D activities in support of the project. This paper describes the various siting activities carried out to date. (author)

  11. What Motivates Young Adults to Talk About Physical Activity on Social Network Sites?

    Science.gov (United States)

    Zhang, Ni; Campo, Shelly; Yang, Jingzhen; Eckler, Petya; Snetselaar, Linda; Janz, Kathleen; Leary, Emily

    2017-06-22

    Electronic word-of-mouth on social network sites has been used successfully in marketing. In social marketing, electronic word-of-mouth about products as health behaviors has the potential to be more effective and reach more young adults than health education through traditional mass media. However, little is known about what motivates people to actively initiate electronic word-of-mouth about health behaviors on their personal pages or profiles on social network sites, thus potentially reaching all their contacts on those sites. This study filled the gap by applying a marketing theoretical model to explore the factors associated with electronic word-of-mouth on social network sites about leisure-time physical activity. A Web survey link was sent to undergraduate students at one of the Midwestern universities and 439 of them completed the survey. The average age of the 439 participants was 19 years (SD=1 year, range: 18-24). Results suggested that emotional engagement with leisure-time physical activity (ie, affective involvement in leisure-time physical activity) predicted providing relevant opinions or information on social network sites. Social network site users who perceived stronger ties with all their contacts were more likely to provide and seek leisure-time physical activity opinions and information. People who provided leisure-time physical activity opinions and information were more likely to seek opinions and information, and people who forwarded information about leisure-time physical activity were more likely to chat about it. This study shed light on the application of the electronic word-of-mouth theoretical framework in promoting health behaviors. The findings can also guide the development of future social marketing interventions using social network sites to promote leisure-time physical activity. ©Ni Zhang, Shelly Campo, Jingzhen Yang, Petya Eckler, Linda Snetselaar, Kathleen Janz, Emily Leary. Originally published in the Journal of Medical

  12. Alaska Open-File Report 127 Assessment of Thermal Springs Sites in Southern Southeastern Alaska - Preliminary Results and Evaluation

    Energy Technology Data Exchange (ETDEWEB)

    Motyka, Roman J.; Moorman, Mary A.; Reeder, John W.

    1980-06-01

    Information has been gathered on 13 reported thermal-spring sites, 12 in southern Southeastern Alaska and one in western British Columbia. Five of the reported sites could not be substantiated by DGGS. The eight known thermal spring sites are associated with grainitic terrain and, except for Baker Island Hot Springs, occur within or near intensively fractured Cretaceous-age pluons of the Coast Range Batholith. Thermal-spring surface temperatures range from 21 C (Twin Lakes) to 91.5 C (Bailey Bay). The greatest discharge occurs at Chief Shakes hot springs (450 1pm). Bell Island Hot Springs, which has about a 100-1 pm discharge and a 70 C temperature, has had the most development. Two previously unreported thermal-spring sites, Barnes Lake warm springs and Bradfield hot springs, have a low rate of discharge and respective surface temperatures of about 25 and 54 C. The known thermal springs probably originate from circulation of meteoric waters through deep-seated fracture and fault systems. The chemical constituents of the alkali-sulfate to alkali-chloride thermal waters are probably derived from interaction of the deeply circulating meteoric waters with the granitic wall rocks. Chemical geothermometry suggests subsurface temperatures of 55 to 151 C. If waters are being heated solely by conduction from wall rocks, circulation depths must be about 1.5 to 5 km, assuming geothermal gradients of 30 to 50 C/km. Variations in temperature, discharge, and chemistry were noted at several thermal springs for which previous records are available. A major decrease in silica and potassium concentrations at Chief Shakes hot springs is suggested by comparing recent analyses of water chemistry to Waring's (1917) original analysis. The rate of discharge at Bell Island Hot Springs may have increased by a factor of two since Waring's visit to the springs. Subsurface reservoirs associated with thermal springs in southern Southeastern Alaska are of low temperature and are

  13. Open, aware, and active: contextual approaches as an emerging trend in the behavioral and cognitive therapies.

    Science.gov (United States)

    Hayes, Steven C; Villatte, Matthieu; Levin, Michael; Hildebrandt, Mikaela

    2011-01-01

    A wave of new developments has occurred in the behavioral and cognitive therapies that focuses on processes such as acceptance, mindfulness, attention, or values. In this review, we describe some of these developments and the data regarding them, focusing on information about components, moderators, mediators, and processes of change. These "third wave" methods all emphasize the context and function of psychological events more so than their validity, frequency, or form, and for these reasons we use the term "contextual cognitive behavioral therapy" to describe their characteristics. Both putative processes, and component and process evidence, indicate that they are focused on establishing a more open, aware, and active approach to living, and that their positive effects occur because of changes in these processes. © 2011 by Annual Reviews. All rights reserved

  14. Dynamics of an Active-Site Flap Contributes to Catalysis in a JAMM Family Metallo Deubiquitinase.

    Science.gov (United States)

    Bueno, Amy N; Shrestha, Rashmi K; Ronau, Judith A; Babar, Aditya; Sheedlo, Michael J; Fuchs, Julian E; Paul, Lake N; Das, Chittaranjan

    2015-10-06

    The endosome-associated deubiquitinase (DUB) AMSH is a member of the JAMM family of zinc-dependent metallo isopeptidases with high selectivity for Lys63-linked polyubiquitin chains, which play a key role in endosomal-lysosomal sorting of activated cell surface receptors. The catalytic domain of the enzyme features a flexible flap near the active site that opens and closes during its catalytic cycle. Structural analysis of its homologues, AMSH-LP (AMSH-like protein) and the fission yeast counterpart, Sst2, suggests that a conserved Phe residue in the flap may be critical for substrate binding and/or catalysis. To gain insight into the contribution of this flap in substrate recognition and catalysis, we generated mutants of Sst2 and characterized them using a combination of enzyme kinetics, X-ray crystallography, molecular dynamics simulations, and isothermal titration calorimetry (ITC). Our analysis shows that the Phe residue in the flap contributes key interactions during the rate-limiting step but not to substrate binding, since mutants of Phe403 exhibit a defect only in kcat but not in KM. Moreover, ITC studies show Phe403 mutants have similar KD for ubiquitin compared to the wild-type enzyme. The X-ray structures of both Phe403Ala and the Phe403Trp, in both the free and ubiquitin bound form, reveal no appreciable structural change that might impair substrate or alter product binding. We observed that the side chain of the Trp residue is oriented identically with respect to the isopeptide moiety of the substrate as the Phe residue in the wild-type enzyme, so the loss of activity seen in this mutant cannot be explained by the absence of a group with the ability to provide van der Waals interactions that facilitate the hyrdolysis of the Lys63-linked diubiquitin. Molecular dynamics simulations indicate that the flap in the Trp mutant is quite flexible, allowing almost free rotation of the indole side chain. Therefore, it is possible that these different dynamic

  15. 75 FR 71677 - Reimbursement for Costs of Remedial Action at Active Uranium and Thorium Processing Sites

    Science.gov (United States)

    2010-11-24

    ... DEPARTMENT OF ENERGY Reimbursement for Costs of Remedial Action at Active Uranium and Thorium... in FY 2011 from eligible active uranium and thorium processing site licensees for reimbursement under... approximately $24.3 million of Recovery Act funds available for reimbursement in FY 2011, as well as the $10...

  16. Effects of resource activities upon repository siting and waste containment with reference to bedded salt

    International Nuclear Information System (INIS)

    Ashby, J.; Rowe, J.

    1980-02-01

    The primary consideration for the suitability of a nuclear waste repository site is the overall ability of the repository to safely contain radioactive waste. This report is a discussion of the past, present, and future effects of resource activities on waste containment. Past and present resource activities which provide release pathways (i.e., leaky boreholes, adjacent mines) will receive initial evaluation during the early stages of any repository site study. However, other resource activities which may have subtle effects on containment (e.g., long-term pumping causing increased groundwater gradients, invasion of saline water causing lower retardation) and all potential future resource activities must also be considered during the site evaluation process. Resource activities will affect both the siting and the designing of repositories. Ideally, sites should be located in areas of low resource activity and low potential for future activity, and repository design should seek to eliminate or minimize the adverse effects of any resource activity. Buffer zones should be created to provide areas in which resource activities that might adversely affect containment can be restricted or curtailed. This could mean removing large areas of land from resource development. The impact of these frozen assets should be assessed in terms of their economic value and of their effect upon resource reserves. This step could require a major effort in data acquisition and analysis followed by extensive numerical modeling of regional fluid flow and mass transport. Numerical models should be used to assess the effects of resource activity upon containment and should include the cumulative effects of different resource activities. Analysis by other methods is probably not possible except for relatively simple cases

  17. Hydrogenation active sites of unsupported molybdenum sulfide catalysts for hydroprocessing heavy oils

    Energy Technology Data Exchange (ETDEWEB)

    Iwata, Y.; Araki, Y.; Honna, K. [Tsukuba-branch, Advanced Catalyst Research Laboratory, Petroleum Energy Center, 1-1 Higashi, Tsukuba, 305-8565 Ibaraki (Japan); Miki, Y.; Sato, K.; Shimada, H. [National Institute of Materials and Chemical Research, 1-1 Higashi, Tsukuba, 305-8565 Ibaraki (Japan)

    2001-02-20

    The purpose of the present study was to elucidate the nature of the hydrogenation active sites on unsupported molybdenum sulfide catalysts, aimed at the improvement of the catalysts for the slurry processes. The number of hydrogenation active sites was found to relate to the 'inflection' on the basal plane of the catalyst particles. The comparison of the catalytic activity to that of an oil-soluble catalyst in the hydroprocessing of heavy oils suggests that the performance of the oil-soluble catalyst was near the maximum, unless another component such as Ni or Co was incorporated.

  18. Extraordinary Separation of Acetylene-Containing Mixtures with Microporous Metal-Organic Frameworks with Open O Donor Sites and Tunable Robustness through Control of the Helical Chain Secondary Building Units

    KAUST Repository

    Yao, Zizhu; Zhang, Zhangjing; Liu, Lizhen; Li, Ziyin; Zhou, Wei; Zhao, Yunfeng; Han, Yu; Chen, Banglin; Krishna, Rajamani; Xiang, Shengchang

    2016-01-01

    Acetylene separation is a very important but challenging industrial separation task. Here, through the solvothermal reaction of CuI and 5-triazole isophthalic acid in different solvents, two metal-organic frameworks (MOFs, FJU-21 and FJU-22) with open O donor sites and controllable robustness have been obtained for acetylene separation. They contain the same paddle-wheel {Cu2(COO2)4} nodes and metal-ligand connection modes, but with different helical chains as secondary building units (SBUs), leading to different structural robustness for the MOFs. FJU-21 and FJU-22 are the first examples in which the MOFs' robustness is controlled by adjusting the helical chain SBUs. Good robustness gives the activated FJU-22 a, which has higher surface area and gas uptakes than the flexible FJU-21 a. Importantly, FJU-22 a shows extraordinary separation of acetylene mixtures under ambient conditions. The separation capacity of FJU-22 a for 50:50 C2H2/CO2 mixtures is about twice that of the high-capacity HOF-3, and its actual separation selectivity for C2H2/C2H4 mixtures containing 1 % acetylene is the highest among reported porous materials. Based on first-principles calculations, the extraordinary separation performance of C2H2 for FJU-22 a was attributed to hydrogen-bonding interactions between the C2H2 molecules with the open O donors on the wall, which provide better recognition ability for C2H2 than other functional sites, including open metal sites and amino groups. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Extraordinary Separation of Acetylene-Containing Mixtures with Microporous Metal-Organic Frameworks with Open O Donor Sites and Tunable Robustness through Control of the Helical Chain Secondary Building Units

    KAUST Repository

    Yao, Zizhu

    2016-03-02

    Acetylene separation is a very important but challenging industrial separation task. Here, through the solvothermal reaction of CuI and 5-triazole isophthalic acid in different solvents, two metal-organic frameworks (MOFs, FJU-21 and FJU-22) with open O donor sites and controllable robustness have been obtained for acetylene separation. They contain the same paddle-wheel {Cu2(COO2)4} nodes and metal-ligand connection modes, but with different helical chains as secondary building units (SBUs), leading to different structural robustness for the MOFs. FJU-21 and FJU-22 are the first examples in which the MOFs\\' robustness is controlled by adjusting the helical chain SBUs. Good robustness gives the activated FJU-22 a, which has higher surface area and gas uptakes than the flexible FJU-21 a. Importantly, FJU-22 a shows extraordinary separation of acetylene mixtures under ambient conditions. The separation capacity of FJU-22 a for 50:50 C2H2/CO2 mixtures is about twice that of the high-capacity HOF-3, and its actual separation selectivity for C2H2/C2H4 mixtures containing 1 % acetylene is the highest among reported porous materials. Based on first-principles calculations, the extraordinary separation performance of C2H2 for FJU-22 a was attributed to hydrogen-bonding interactions between the C2H2 molecules with the open O donors on the wall, which provide better recognition ability for C2H2 than other functional sites, including open metal sites and amino groups. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  20. Cyanide does more to inhibit heme enzymes, than merely serving as an active-site ligand

    Energy Technology Data Exchange (ETDEWEB)

    Parashar, Abhinav [Center for Biomedical Research, VIT University, Vellore, Tamil Nadu, 632014 India (India); Venkatachalam, Avanthika [REDOx Lab, PSG Institute of Advanced Studies, Avinashi Road, Peelamedu, Coimbatore, Tamil Nadu, 641004 (India); Gideon, Daniel Andrew [Center for Biomedical Research, VIT University, Vellore, Tamil Nadu, 632014 India (India); Manoj, Kelath Murali, E-mail: satyamjayatu@yahoo.com [REDOx Lab, PSG Institute of Advanced Studies, Avinashi Road, Peelamedu, Coimbatore, Tamil Nadu, 641004 (India)

    2014-12-12

    Highlights: • Cyanide (CN) is a well-studied toxic principle, known to inhibit heme-enzymes. • Inhibition is supposed to result from CN binding at the active site as a ligand. • Diverse heme enzymes’ CN inhibition profiles challenge prevailing mechanism. • Poor binding efficiency of CN at low enzyme concentrations and ligand pressures. • CN-based diffusible radicals cause ‘non-productive electron transfers’ (inhibition). - Abstract: The toxicity of cyanide is hitherto attributed to its ability to bind to heme proteins’ active site and thereby inhibit their activity. It is shown herein that the long-held interpretation is inadequate to explain several observations in heme-enzyme reaction systems. Generation of cyanide-based diffusible radicals in heme-enzyme reaction milieu could shunt electron transfers (by non-active site processes), and thus be detrimental to the efficiency of oxidative outcomes.

  1. Enhancement in catalytic activity of Aspergillus niger XynB by selective site-directed mutagenesis of active site amino acids.

    Science.gov (United States)

    Wu, Xiuyun; Tian, Zhennan; Jiang, Xukai; Zhang, Qun; Wang, Lushan

    2018-01-01

    XynB from Aspergillus niger ATCC1015 (AnXynB) is a mesophilic glycoside hydrolase (GH) family 11 xylanase which holds great potentials in a wide variety of industrial applications. In the present study, the catalytic activity and stability of AnXynB were improved by a combination of computational and experimental approaches. Virtual mutation and molecular dynamics simulations indicated that the introduction of Glu and Asn altered the interaction network at the - 3 subsite. Interestingly, the double mutant S41N/T43E displayed 72% increase in catalytic activity when compared to the wild type (WT). In addition, it also showed a better thermostability than the WT enzyme. Kinetic determination of the T43E and S41N/T43E mutants suggested that the higher xylanase activity is probably due to the increasing binding affinity of enzyme and substrate. Consequently, the enzyme activity and thermostability of AnXynB was both increased by selective site-directed mutagenesis at the - 3 subsite of its active site architecture which provides a good example for a successfully engineered enzyme for potential industrial application. Moreover, the molecular evolution approach adopted in this study led to the design of a library of sequences that captures a meaningful functional diversity in a limited number of protein variants.

  2. Protein kinase A (PKA) phosphorylation of Na+/K+-ATPase opens intracellular C-terminal water pathway leading to third Na+-binding site in molecular dynamics simulations

    DEFF Research Database (Denmark)

    Poulsen, Hanne; Nissen, Poul; Mouritsen, Ole G.

    2012-01-01

    -atom Molecular Dynamics (MD) simulations to investigate the structural consequences of phosphorylating the Na+/K+- ATPase (NKA) residue S936, which is the best characterized phosphorylation site in NKA, targeted in vivo by Protein Kinase A (PKA) (1-3). The MD simulations suggest that S936 phosphorylation opens......Phosphorylation is one of the major mechanisms for posttranscriptional modification of proteins. The addition of a compact, negatively charged moiety to a protein can significantly change its function and localization by affecting its structure and interaction network. We have used all...... a C-terminal hydrated pathway leading to D926, a transmembrane residue proposed to form part of the third sodium ion-binding site (4). Simulations of a S936E mutant form, for which only subtle effects are observed when expressed in Xenopus oocytes and studied with electrophysiology, does not mimic...

  3. Thermodynamic compensation upon binding to exosite 1 and the active site of thrombin.

    Science.gov (United States)

    Treuheit, Nicholas A; Beach, Muneera A; Komives, Elizabeth A

    2011-05-31

    Several lines of experimental evidence including amide exchange and NMR suggest that ligands binding to thrombin cause reduced backbone dynamics. Binding of the covalent inhibitor dPhe-Pro-Arg chloromethyl ketone to the active site serine, as well as noncovalent binding of a fragment of the regulatory protein, thrombomodulin, to exosite 1 on the back side of the thrombin molecule both cause reduced dynamics. However, the reduced dynamics do not appear to be accompanied by significant conformational changes. In addition, binding of ligands to the active site does not change the affinity of thrombomodulin fragments binding to exosite 1; however, the thermodynamic coupling between exosite 1 and the active site has not been fully explored. We present isothermal titration calorimetry experiments that probe changes in enthalpy and entropy upon formation of binary ligand complexes. The approach relies on stringent thrombin preparation methods and on the use of dansyl-l-arginine-(3-methyl-1,5-pantanediyl)amide and a DNA aptamer as ligands with ideal thermodynamic signatures for binding to the active site and to exosite 1. Using this approach, the binding thermodynamic signatures of each ligand alone as well as the binding signatures of each ligand when the other binding site was occupied were measured. Different exosite 1 ligands with widely varied thermodynamic signatures cause a similar reduction in ΔH and a concomitantly lower entropy cost upon DAPA binding at the active site. The results suggest a general phenomenon of enthalpy-entropy compensation consistent with reduction of dynamics/increased folding of thrombin upon ligand binding to either the active site or exosite 1.

  4. Large zinc cation occupancy of octahedral sites in mechanically activated zinc ferrite powders

    International Nuclear Information System (INIS)

    Oliver, S. A.; Harris, V. G.; Hamdeh, H. H.; Ho, J. C.

    2000-01-01

    The cation site occupancy of a mechanically activated nanocrystalline zinc ferrite powder was determined as (Zn 0.55 2+ Fe 0.18 3+ ) tet [Zr 0.45 2+ Fe 1.82 3+ ] oct O 4 through analysis of extended x-ray absorption fine structure measurements, showing a large redistribution of cations between sites compared to normal zinc ferrite samples. The overpopulation of cations in the octahedral sites was attributed to the ascendance in importance of the ionic radii over the crystal energy and bonding coordination in determining which interstitial sites are occupied in this structurally disordered powder. Slight changes are observed in the local atomic environment about the zinc cations, but not the iron cations, with respect to the spinel structure. The presence of Fe 3+ on both sites is consistent with the measured room temperature magnetic properties. (c) 2000 American Institute of Physics

  5. Evaluation of physical activity web sites for use of behavior change theories.

    Science.gov (United States)

    Doshi, Amol; Patrick, Kevin; Sallis, James F; Calfas, Karen

    2003-01-01

    Physical activity (PA) Web sites were assessed for their use of behavior change theories, including constructs of the health belief model, Transtheoretical Model, social cognitive theory, and the theory of reasoned action and planned behavior. An evaluation template for assessing PA Web sites was developed, and content validity and interrater reliability were demonstrated. Two independent raters evaluated 24 PA Web sites. Web sites varied widely in application of theory-based constructs, ranging from 5 to 48 on a 100-point scale. The most common intervention strategies were general information, social support, and realistic goal areas. Coverage of theory-based strategies was low, varying from 26% for social cognitive theory to 39% for health belief model. Overall, PA Web sites provided little assessment, feedback, or individually tailored assistance for users. They were unable to substantially tailor the on-line experience for users at different stages of change or different demographic characteristics.

  6. Active sites of ligand-protected Au25 nanoparticle catalysts for CO2 electroreduction to CO

    Science.gov (United States)

    Alfonso, Dominic R.; Kauffman, Douglas; Matranga, Christopher

    2016-05-01

    Recent experimental studies have reported the electrochemical reduction of carbon dioxide (CO2) into CO at atomically precise negatively charged Au25- nanoclusters. The studies showed CO2 conversion at remarkably low overpotentials, but the exact mechanisms and nature of the active sites remain unclear. We used first-principles density functional theory and continuum solvation models to examine the role of the cluster during electrochemical CO2 reduction and analyze the free energies of proposed intermediate species. Contrary to previous assumptions, our results show that the fully ligand protected cluster is not an active CO2 reduction catalyst because formation of the crucial carboxyl intermediate required very high electrochemical potentials. Instead, our calculations suggest that the reduction process likely occurs on a dethiolated gold site, and adsorbed carboxyl intermediate formation was significantly stabilized at dethiolated gold sites. These findings point to the crucial role of exposed metal sites during electrochemical CO2 reduction at gold nanocluster catalysts.

  7. In silico analysis of Pycnoporus cinnabarinus laccase active site with toxic industrial dyes.

    Science.gov (United States)

    Prasad, Nirmal K; Vindal, Vaibhav; Narayana, Siva Lakshmi; Ramakrishna, V; Kunal, Swaraj Priyaranjan; Srinivas, M

    2012-05-01

    Laccases belong to multicopper oxidases, a widespread class of enzymes implicated in many oxidative functions in various industrial oxidative processes like production of fine chemicals to bioremediation of contaminated soil and water. In order to understand the mechanisms of substrate binding and interaction between substrates and Pycnoporus cinnabarinus laccase, a homology model was generated. The resulted model was further validated and used for docking studies with toxic industrial dyes- acid blue 74, reactive black 5 and reactive blue 19. Interactions of chemical mediators with the laccase was also examined. The docking analysis showed that the active site always cannot accommodate the dye molecules, due to constricted nature of the active site pocket and steric hindrance of the residues whereas mediators are relatively small and can easily be accommodated into the active site pocket, which, thereafter leads to the productive binding. The binding properties of these compounds along with identification of critical active site residues can be used for further site-directed mutagenesis experiments in order to identify their role in activity and substrate specificity, ultimately leading to improved mutants for degradation of these toxic compounds.

  8. A simplified method for active-site titration of lipases immobilised on hydrophobic supports.

    Science.gov (United States)

    Nalder, Tim D; Kurtovic, Ivan; Barrow, Colin J; Marshall, Susan N

    2018-06-01

    The aim of this work was to develop a simple and accurate protocol to measure the functional active site concentration of lipases immobilised on highly hydrophobic supports. We used the potent lipase inhibitor methyl 4-methylumbelliferyl hexylphosphonate to titrate the active sites of Candida rugosa lipase (CrL) bound to three highly hydrophobic supports: octadecyl methacrylate (C18), divinylbenzene crosslinked methacrylate (DVB) and styrene. The method uses correction curves to take into account the binding of the fluorophore (4-methylumbelliferone, 4-MU) by the support materials. We showed that the uptake of the detection agent by the three supports is not linear relative to the weight of the resin, and that the uptake occurs in an equilibrium that is independent of the total fluorophore concentration. Furthermore, the percentage of bound fluorophore varied among the supports, with 50 mg of C18 and styrene resins binding approximately 64 and 94%, respectively. When the uptake of 4-MU was calculated and corrected for, the total 4-MU released via inhibition (i.e. the concentration of functional lipase active sites) could be determined via a linear relationship between immobilised lipase weight and total inhibition. It was found that the functional active site concentration of immobilised CrL varied greatly among different hydrophobic supports, with 56% for C18, compared with 14% for DVB. The described method is a simple and robust approach to measuring functional active site concentration in immobilised lipase samples. Copyright © 2018 Elsevier Inc. All rights reserved.

  9. Risks due to industrial activities and to transports around nuclear installations sites

    International Nuclear Information System (INIS)

    Doumenc, A.; Faure, J.

    1988-01-01

    In order to verify that the human activities around a site under consideration are not incompatible with the installation conception, they should be analyzed before the definitive site selection, then watched over and if necessary limited during the installation construction and operation. Taking account of the aggression sources diversity, there is to consider different distances according to the risks. 6 tabs., 5 refs. (F.M.)

  10. Open Minds to Equality: A Source Book of Learning Activities to Affirm Diversity and Promote Equity. Third Edition

    Science.gov (United States)

    Schniedewind, Nancy; Davidson, Ellen

    2006-01-01

    "Open Minds to Equality" is an educator's sourcebook of activities to help students understand and change inequalities based on: race, gender, class, age, language, sexual orientation, physical/mental ability, and religion. The activities promote respect for diversity and interpersonal equality among students, fostering a classroom that is…

  11. Tuning magnetic critical behaviour in Ti-manganites by doping with vacancies in A-sites: Sr{sub 1-x}{open_square}{sub x}LaMnTiO{sub 6-{delta}} (0 < x {<=} 0.15)

    Energy Technology Data Exchange (ETDEWEB)

    Alonso-Dominguez, D., E-mail: danielad@quim.ucm.es [Dpto. Quimica Inorganica I, Facultad Ciencias Quimicas, Universidad Complutense de Madrid, E-28040 Madrid (Spain); Alvarez-Serrano, I. [Dpto. Quimica Inorganica I, Facultad Ciencias Quimicas, Universidad Complutense de Madrid, E-28040 Madrid (Spain); Cuello, G. [Institut Laue-Langevin, 6 rue Jules Horowitz, F-38042 Grenoble (France); Garcia-Hernandez, M. [Instituto de Ciencia de Materiales de Madrid, Consejo Superior de Investigaciones Cientificas, E-28049 Cantoblanco, Madrid (Spain); Lopez, M.L.; Pico, C.; Veiga, M.L. [Dpto. Quimica Inorganica I, Facultad Ciencias Quimicas, Universidad Complutense de Madrid, E-28040 Madrid (Spain)

    2011-10-17

    Highlights: {yields} Pure polycrystalline powders of Sr{sub 1-x}{open_square}{sub x}LaMnTiO{sub 6-{delta}} perovskites have been synthesized by the liquid mix technique. {yields} X-ray and neutron diffraction data, together with HRTEM are interpreted in terms of tetragonal symmetry and S.G. I4/mcm, being all the cations located at random in each sublattice. {yields} Magnetization measurements show the existence of a frustrated behaviour, implying FM interactions at low temperatures, and semiconductor behaviour is observed in the whole temperature range explored. {yields} The introduction of vacancies in the A sites is connected to the stabilization of the Griffiths phase for x < 0.15, and an electronic model considering a cluster glass picture is proposed. - Abstract: Microcrystalline powders of Sr{sub 1-x}{open_square}{sub x}LaMnTiO{sub 6-{delta}} (0 {<=} x {<=} 0.15) perovskites have been synthesized by the sol-gel method. Structural characterization from neutron diffraction data shows tetragonal symmetry for all samples in the whole temperature range explored (5-700 K) and HRTEM analysis confirms it at the micro scale. Structural refinements suggest that Sr/La and Mn/Ti cations are placed at random in A and B sublattices, respectively, being the vacancies exclusively located on the former sites. Doping with vacancies in the A sites does not provoke any extra structural ordering or distortion but modifies the electronic scenario at the B-sites, leading to an enhancement of Griffiths phase as the amount of vacancies, x, increases. Semiconductor behaviour has been observed, without any transition to metallic state, with typical activation energies of 0.15 eV. The intrinsic magnetic frustrated behaviour is described in terms of a cluster-glass model.

  12. Understanding Which Residues of the Active Site and Loop Structure of a Tyrosine Aminomutase Define Its Mutase and Lyase Activities.

    Science.gov (United States)

    Attanayake, Gayanthi; Walter, Tyler; Walker, Kevin D

    2018-05-30

    Site-directed mutations and substrate analogues were used to gain insights into the branch-point reaction of the 3,5-dihydro-5-methylidene-4 H-imidazol-4-one (MIO)-tyrosine aminomutase from Oryza sativa ( OsTAM). Exchanging the active residues of OsTAM (Y125C/N446K) for those in a phenylalanine aminomutase TcPAM altered its substrate specificity from tyrosine to phenylalanine. The aminomutase mechanism of OsTAM surprisingly changed almost exclusively to that of an ammonia lyase making cinnamic acid (>95%) over β-phenylalanine [Walter, T., et al. (2016) Biochemistry 55, 3497-3503]. We hypothesized that the missing electronics or sterics on the aryl ring of the phenylalanine substrate, compared with the sizable electron-donating hydroxyl of the natural tyrosine substrate, influenced the unexpected lyase reactivity of the OsTAM mutant. The double mutant was incubated with 16 α-phenylalanine substituent analogues of varying electronic strengths and sterics. The mutant converted each analogue principally to its acrylate with ∼50% conversion of the p-Br substrate, making only a small amount of the β-amino acid. The inner loop structure over the entrance to the active site was also mutated to assess how the lyase and mutase activities are affected. An OsTAM loop mutant, matching the loop residues of TcPAM, still chiefly made >95% of the acrylate from each substrate. A combined active site:loop mutant was most reactive but remained a lyase, making 10-fold more acrylates than other mutants did. While mutations within the active site changed the substrate specificity of OsTAM, continued exploration is needed to fully understand the interplay among the inner loop, the substrate, and the active site in defining the mutase and lyase activities.

  13. Active site of tripeptidyl peptidase II from human erythrocytes is of the subtilisin type

    Energy Technology Data Exchange (ETDEWEB)

    Tomkinson, B.; Wernstedt, C.; Hellman, U.; Zetterqvist, Oe.

    1987-11-01

    The present report presents evidence that the amino acid sequence around the serine of the active site of human tripeptidyl peptidase II is of the subtilisin type. The enzyme from human erythrocytes was covalently labeled at its active site with (/sup 3/H)diisopropyl fluorophosphate, and the protein was subsequently reduced, alkylated, and digested with trypsin. The labeled tryptic peptides were purified by gel filtration and repeated reversed-phase HPLC, and their amino-terminal sequences were determined. Residue 9 contained the radioactive label and was, therefore, considered to be the active serine residue. The primary structure of the part of the active site (residues 1-10) containing this residue was concluded to be Xaa-Thr-Gln-Leu-Met-Asx-Gly-Thr-Ser-Met. This amino acid sequence is homologous to the sequence surrounding the active serine of the microbial peptidases subtilisin and thermitase. These data demonstrate that human tripeptidyl peptidase II represents a potentially distinct class of human peptidases and raise the question of an evolutionary relationship between the active site of a mammalian peptidase and that of the subtilisin family of serine peptidases.

  14. Improving the neutral phytase activity from Bacillus amyloliquefaciens DSM 1061 by site-directed mutagenesis.

    Science.gov (United States)

    Xu, Wei; Shao, Rong; Wang, Zupeng; Yan, Xiuhua

    2015-03-01

    Neutral phytase is used as a feed additive for degradation of anti-nutritional phytate in aquatic feed industry. Site-directed mutagenesis of Bacillus amyloliquefaciens DSM 1061 phytase was performed with an aim to increase its activity. Mutation residues were chosen based on multiple sequence alignments and structure analysis of neutral phytsaes from different microorganisms. The mutation sites on surface (D148E, S197E and N156E) and around the active site (D52E) of phytase were selected. Analysis of the phytase variants showed that the specific activities of mutants D148E and S197E remarkably increased by about 35 and 13% over a temperature range of 40-75 °C at pH 7.0, respectively. The k cat of mutants D148E and S197E were 1.50 and 1.25 times than that of the wild-type phytase, respectively. Both D148E and S197E showed much higher thermostability than that of the wild-type phytase. However, mutants N156E and D52E led to significant loss of specific activity of the enzyme. Structural analysis revealed that these mutations may affect conformation of the active site of phytase. The present mutant phytases D148E and S197E with increased activities and thermostabilities have application potential as additives in aquaculture feed.

  15. Threatened and endangered wildlife species of the Hanford Site related to CERCLA characterization activities

    Energy Technology Data Exchange (ETDEWEB)

    Fitzner, R.E. [Pacific Northwest Lab., Richland, WA (United States); Weiss, S.G.; Stegen, J.A. [Westinghouse Hanford Co., Richland, WA (United States)

    1994-06-01

    The US Department of Energy`s (DOE) Hanford Site has been placed on the National Priorities List, which requires that it be remediated under the Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) or Superfund. Potentially contaminated areas of the Hanford Site were grouped into operable units, and detailed characterization and investigation plans were formulated. The DOE Richland Operations Office requested Westinghouse Hanford Company (WHC) to conduct a biological assessment of the potential impact of these characterization activities on the threatened, endangered, and sensitive wildlife species of the Hanford Site. Additional direction for WHC compliances with wildlife protection can be found in the Environmental Compliance Manual. This document is intended to meet these requirements, in part, for the CERCLA characterization activities, as well as for other work comparable in scope. This report documents the biological assessment and describes the pertinent components of the Hanford Site as well as the planned characterization activities. Also provided are accounts of endangered, threatened, and federal candidate wildlife species on the Hanford Site and information as to how human disturbances can affect these species. Potential effects of the characterization activities are described with recommendations for mitigation measures.

  16. SABER: a computational method for identifying active sites for new reactions.

    Science.gov (United States)

    Nosrati, Geoffrey R; Houk, K N

    2012-05-01

    A software suite, SABER (Selection of Active/Binding sites for Enzyme Redesign), has been developed for the analysis of atomic geometries in protein structures, using a geometric hashing algorithm (Barker and Thornton, Bioinformatics 2003;19:1644-1649). SABER is used to explore the Protein Data Bank (PDB) to locate proteins with a specific 3D arrangement of catalytic groups to identify active sites that might be redesigned to catalyze new reactions. As a proof-of-principle test, SABER was used to identify enzymes that have the same catalytic group arrangement present in o-succinyl benzoate synthase (OSBS). Among the highest-scoring scaffolds identified by the SABER search for enzymes with the same catalytic group arrangement as OSBS were L-Ala D/L-Glu epimerase (AEE) and muconate lactonizing enzyme II (MLE), both of which have been redesigned to become effective OSBS catalysts, demonstrated by experiments. Next, we used SABER to search for naturally existing active sites in the PDB with catalytic groups similar to those present in the designed Kemp elimination enzyme KE07. From over 2000 geometric matches to the KE07 active site, SABER identified 23 matches that corresponded to residues from known active sites. The best of these matches, with a 0.28 Å catalytic atom RMSD to KE07, was then redesigned to be compatible with the Kemp elimination using RosettaDesign. We also used SABER to search for potential Kemp eliminases using a theozyme predicted to provide a greater rate acceleration than the active site of KE07, and used Rosetta to create a design based on the proteins identified. Copyright © 2012 The Protein Society.

  17. Inter operability of smart field devices on an open field-bus: from laboratory tests to on-site applications

    International Nuclear Information System (INIS)

    Piguet, M.; Favennec, J.M.

    1997-01-01

    The paper presents a field trial held in EDF's R and D laboratories concerning smart field instruments (sensors, I/O modules, transmitters) operating on the WorldFIP field-bus. The trial put into operation a supervisory control and data acquisition (SCADA) system on the field-bus with available industrial field devices and software tools. The field trial enables EDF's teams to address the inter-operability issue regarding smart field devices and to prepare the forthcoming step from analog to fully digital measurement technology by evaluating new services and higher performances provided. Possible architectures for process control and on-site testing purposes have been identified. A first application for a flow-measuring rig is under way. It implements a WorldFIP field-bus based DCS with FIP/HART multiplexers, FIP and HART smart devices (sensors and actuators) and a field management system. (authors)

  18. Utility experiences in redevelopment of formerly used sites -- Wisconsin Electric's risk management and economic development activities

    International Nuclear Information System (INIS)

    Borofka, B.P.

    1999-01-01

    Wisconsin Electric Power Company, which recently celebrated its 100th anniversary, has actively promoted the redevelopment of its former sites as well as those of its customers. Serving Milwaukee and southeast Wisconsin, Wisconsin Electric's (WE) sites include former power plants, landfills, right-of-ways, and manufactured gas plant sites. In setting an example for others, as well as seeking to maximize the economic value of these sites, WE has either redeveloped or promoted the redevelopment of these sites by others. Examples include the East Wells Power Plant (now home of the Milwaukee Repertory Theater), the Lakeside Power Plant Site (now the home of Harnischfeger Corporation's headquarters), and the Commerce Street Power Plant located on the Milwaukee River near downtown Milwaukee. In each case the company evaluated the potential environmental liabilities against the unrealized asset value derived from facility location, site size, architectural uniqueness, or other characteristics. At the Commerce Street Power Plant, walking distance to the downtown Milwaukee business district combined with river frontage, were significant site values leveraged against a $5 million asbestos and lead-based paint removal project done to prepare the plant for marketing. More recently, WE has used its experience in promoting the redevelopment of the Menomonee River Valley, the original core of Milwaukee's industrial community, and in advancing a more practical regulatory approach to redeveloping older sites. Finally, the company is working with a non-profit community health clinic, community groups and local foundations in linking these redevelopment activities with the economic and physical health of inner city residents

  19. Grafting on nuclear tracks using the active sites that remain after the etching process

    International Nuclear Information System (INIS)

    Mazzei, R.; Bermudez, G. Garcia; Chappa, V.C.; Grosso, M.F. del; Fernandez, A.

    2006-01-01

    Poly(propylene) foils were irradiated with Ag ions and then chemically etched to produce samples with structured surfaces. After the etching procedure the active sites that remain on the latent track were used to graft acrylic acid. Nuclear tracks before grafting were visualised using a transmission electron microscope. The grafting yields were determined by weight measurements as a function of ion fluence, etching and grafting time, and were also analysed using Fourier transform infrared spectroscopy. Both measurements suggest that the acrylic acid was grafted on etched tracks using the active sites produced by the swift heavy ion beam

  20. Grafting on nuclear tracks using the active sites that remain after the etching process

    Energy Technology Data Exchange (ETDEWEB)

    Mazzei, R. [Unidad de Aplicaciones Tecnologicas y Agropecuarias, CNEA, 1429 Buenos Aires (Argentina) and Universidad Tecnologica Nacional, Buenos Aires (Argentina)]. E-mail: mazzei@cae.cnea.gov.ar; Bermudez, G. Garcia [U. A. de Fisica, Tandar, CNEA, 1429 Buenos Aires (Argentina); Escuela de Ciencia y Tecnologia, UNSAM, 1653 Buenos Aires (Argentina); Consejo Nacional de Investigaciones Cientificas y Tecnicas (Argentina); Chappa, V.C. [U. A. de Fisica, Tandar, CNEA, 1429 Buenos Aires (Argentina); Grosso, M.F. del [U. A. de Fisica, Tandar, CNEA, 1429 Buenos Aires (Argentina); U. A. de Materiales, CNEA, 1429 Buenos Aires (Argentina); Fernandez, A. [Universidad Tecnologica Nacional, Buenos Aires (Argentina)

    2006-09-15

    Poly(propylene) foils were irradiated with Ag ions and then chemically etched to produce samples with structured surfaces. After the etching procedure the active sites that remain on the latent track were used to graft acrylic acid. Nuclear tracks before grafting were visualised using a transmission electron microscope. The grafting yields were determined by weight measurements as a function of ion fluence, etching and grafting time, and were also analysed using Fourier transform infrared spectroscopy. Both measurements suggest that the acrylic acid was grafted on etched tracks using the active sites produced by the swift heavy ion beam.

  1. Trace metal depositional patterns from an open pit mining activity as revealed by archived avian gizzard contents.

    Science.gov (United States)

    Bendell, L I

    2011-02-15

    Archived samples of blue grouse (Dendragapus obscurus) gizzard contents, inclusive of grit, collected yearly between 1959 and 1970 were analyzed for cadmium, lead, zinc, and copper content. Approximately halfway through the 12-year sampling period, an open-pit copper mine began activities, then ceased operations 2 years later. Thus the archived samples provided a unique opportunity to determine if avian gizzard contents, inclusive of grit, could reveal patterns in the anthropogenic deposition of trace metals associated with mining activities. Gizzard concentrations of cadmium and copper strongly coincided with the onset of opening and the closing of the pit mining activity. Gizzard zinc and lead demonstrated significant among year variation; however, maximum concentrations did not correlate to mining activity. The archived gizzard contents did provide a useful tool for documenting trends in metal depositional patterns related to an anthropogenic activity. Further, blue grouse ingesting grit particles during the time of active mining activity would have been exposed to toxicologically significant levels of cadmium. Gizzard lead concentrations were also of toxicological significance but not related to mining activity. This type of "pulse" toxic metal exposure as a consequence of open-pit mining activity would not necessarily have been revealed through a "snap-shot" of soil, plant or avian tissue trace metal analysis post-mining activity. Copyright © 2010 Elsevier B.V. All rights reserved.

  2. Trace metal depositional patterns from an open pit mining activity as revealed by archived avian gizzard contents

    Energy Technology Data Exchange (ETDEWEB)

    Bendell, L.I., E-mail: bendell@sfu.ca

    2011-02-15

    Archived samples of blue grouse (Dendragapus obscurus) gizzard contents, inclusive of grit, collected yearly between 1959 and 1970 were analyzed for cadmium, lead, zinc, and copper content. Approximately halfway through the 12-year sampling period, an open-pit copper mine began activities, then ceased operations 2 years later. Thus the archived samples provided a unique opportunity to determine if avian gizzard contents, inclusive of grit, could reveal patterns in the anthropogenic deposition of trace metals associated with mining activities. Gizzard concentrations of cadmium and copper strongly coincided with the onset of opening and the closing of the pit mining activity. Gizzard zinc and lead demonstrated significant among year variation; however, maximum concentrations did not correlate to mining activity. The archived gizzard contents did provide a useful tool for documenting trends in metal depositional patterns related to an anthropogenic activity. Further, blue grouse ingesting grit particles during the time of active mining activity would have been exposed to toxicologically significant levels of cadmium. Gizzard lead concentrations were also of toxicological significance but not related to mining activity. This type of 'pulse' toxic metal exposure as a consequence of open-pit mining activity would not necessarily have been revealed through a 'snap-shot' of soil, plant or avian tissue trace metal analysis post-mining activity. - Research Highlights: {yields} Archived gizzard samples reveals mining history. {yields} Grit ingestion exposes grouse to cadmium and lead. {yields} Grit selection includes particles enriched in cadmium. {yields} Cadmium enriched particles are of toxicological significance.

  3. Orthogonal use of a human tRNA synthetase active site to achieve multi-functionality

    Science.gov (United States)

    Zhou, Quansheng; Kapoor, Mili; Guo, Min; Belani, Rajesh; Xu, Xiaoling; Kiosses, William B.; Hanan, Melanie; Park, Chulho; Armour, Eva; Do, Minh-Ha; Nangle, Leslie A.; Schimmel, Paul; Yang, Xiang-Lei

    2011-01-01

    Protein multi-functionality is an emerging explanation for the complexity of higher organisms. In this regard, while aminoacyl tRNA synthetases catalyze amino acid activation for protein synthesis, some also act in pathways for inflammation, angiogenesis, and apoptosis. How multiple functions evolved and their relationship to the active site is not clear. Here structural modeling analysis, mutagenesis, and cell-based functional studies show that the potent angiostatic, natural fragment of human TrpRS associates via Trp side chains that protrude from the cognate cellular receptor VE-cadherin. Modeling indicates that (I prefer the way it was because the conclusion was reached not only by modeling, but more so by experimental studies.)VE-cadherin Trp side chains fit into the Trp-specific active site of the synthetase. Thus, specific side chains of the receptor mimic (?) amino acid substrates and expand the functionality of the active site of the synthetase. We propose that orthogonal use of the same active site may be a general way to develop multi-functionality of human tRNA synthetases and other proteins. PMID:20010843

  4. Orthogonal use of a human tRNA synthetase active site to achieve multifunctionality.

    Science.gov (United States)

    Zhou, Quansheng; Kapoor, Mili; Guo, Min; Belani, Rajesh; Xu, Xiaoling; Kiosses, William B; Hanan, Melanie; Park, Chulho; Armour, Eva; Do, Minh-Ha; Nangle, Leslie A; Schimmel, Paul; Yang, Xiang-Lei

    2010-01-01

    Protein multifunctionality is an emerging explanation for the complexity of higher organisms. In this regard, aminoacyl tRNA synthetases catalyze amino acid activation for protein synthesis, but some also act in pathways for inflammation, angiogenesis and apoptosis. It is unclear how these multiple functions evolved and how they relate to the active site. Here structural modeling analysis, mutagenesis and cell-based functional studies show that the potent angiostatic, natural fragment of human tryptophanyl-tRNA synthetase (TrpRS) associates via tryptophan side chains that protrude from its cognate cellular receptor vascular endothelial cadherin (VE-cadherin). VE-cadherin's tryptophan side chains fit into the tryptophan-specific active site of the synthetase. Thus, specific side chains of the receptor mimic amino acid substrates and expand the functionality of the active site of the synthetase. We propose that orthogonal use of the same active site may be a general way to develop multifunctionality of human tRNA synthetases and other proteins.

  5. Immobilized low-activity waste site borehole 299-E17-21

    International Nuclear Information System (INIS)

    Reidel, S.P.; Reynolds, K.D.; Horton, D.G.

    1998-08-01

    The Tank Waste Remediation System (TWRS) is the group at the Hanford Site responsible for the safe underground storage of liquid waste from previous Hanford Site operations, the storage and disposal of immobilized tank waste, and closure of underground tanks. The current plan is to dispose of immobilized low-activity tank waste (ILAW) in new facilities in the southcentral part of 200-East Area and in four existing vaults along the east side of 200-East Area. Boreholes 299-E17-21, B8501, and B8502 were drilled at the southwest corner of the ILAW site in support of the Performance Assessment activities for the disposal options. This report summarizes the initial geologic findings, field tests conducted on those boreholes, and ongoing studies. One deep (480 feet) borehole and two shallow (50 feet) boreholes were drilled at the southwest corner of the ILAW site. The primary factor dictating the location of the boreholes was their characterization function with respect to developing the geohydrologic model for the site and satisfying associated Data Quality Objectives. The deep borehole was drilled to characterize subsurface conditions beneath the ILAW site, and two shallow boreholes were drilled to support an ongoing environmental tracer study. The tracer study will supply information to the Performance Assessment. All the boreholes provide data on the vadose zone and saturated zone in a previously uncharacterized area

  6. Cytogenetic study of natural chironomini (diptera, chiromedae) populations from open water bodies of former Semipalatinsk test site

    International Nuclear Information System (INIS)

    Seysebaev, A.T.; Rakhimbaeva, K. T.; Bakhtin, M.M.

    2002-01-01

    In the paper genetic variability of natural population of chironomidae inhabiting in waters on the territory of Semipalatinsk test site (STS) is studied. Ten Chironomini species of Chironomidae subfamily and one species of Tanypodinae subfamily were identified using cyto-taxonomic methods of analysis. Cytophotomap of polythene chromosomes of salivary glands were established for four species: Glyptotendipes salinus, Captochironomus setivalva, Camptochriomonus tentas and Chironomus plumosus. For the first time a new previously unknown species of Chironomus gender, and namely C, genelenus 1. sp. n. was described and a cytophotomap of its polythene chromosomes was established. A detailed quantative and qualitative analysis of chromosome polymorphism was carried out and the spectrum and frequency of the disk sequences and genotypic combination were identified. New evidence on change in the polythene chromosomes structure were revealed in certain Chironomini species dwelling in the radioactively contaminated water bodies of STS: rare, unique disk sequences of chromosomes were found, a series of specific homo zygote and heterozygote inversions were observed, which evidently resulted from long-term adaptive selection under conditions of the chronic ionizing radiation. Increase of in frequency of structural mutations of chromosomes was found in mitotic cells of imago disk of Chironomini larvae is revealed. This increase indicates that at the STS many population of benthos organisms are directly affected by the ionizing radiation

  7. Directing reaction pathways by catalyst active-site selection using self-assembled monolayers.

    Science.gov (United States)

    Pang, Simon H; Schoenbaum, Carolyn A; Schwartz, Daniel K; Medlin, J Will

    2013-01-01

    One key route for controlling reaction selectivity in heterogeneous catalysis is to prepare catalysts that exhibit only specific types of sites required for desired product formation. Here we show that alkanethiolate self-assembled monolayers with varying surface densities can be used to tune selectivity to desired hydrogenation and hydrodeoxygenation products during the reaction of furfural on supported palladium catalysts. Vibrational spectroscopic studies demonstrate that the selectivity improvement is achieved by controlling the availability of specific sites for the hydrogenation of furfural on supported palladium catalysts through the selection of an appropriate alkanethiolate. Increasing self-assembled monolayer density by controlling the steric bulk of the organic tail ligand restricts adsorption on terrace sites and dramatically increases selectivity to desired products furfuryl alcohol and methylfuran. This technique of active-site selection simultaneously serves both to enhance selectivity and provide insight into the reaction mechanism.

  8. Active catalytic sites in the ammoxidation of propane and propene over V-Sb-O catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Buchholz, S.A.; Zanthoff, H.W. [Bochum Univ. (Germany). Lehrstuhl fuer Technische Chemie

    1998-12-31

    The ammoxidation of propane over VSb{sub y}O{sub x} catalysts (y=1, 2, 5) was investigated with respect to the role of different oxygen species in the selective and non selective reaction steps using transient experiments in the Temporal Analysis of Products (TAP) reactor. Only lattice oxygen is involved in the oxidation reactions. Using isotopic labelled oxygen it is shown that two different active sites exist on the surface. On site A, which can be reoxidized faster by gas phase oxygen compared to site B, mainly CO is formed. On site B CO{sub 2} and acrolein as well as NO and N{sub 2}O in the presence of ammonia in the feed gas are formed and reoxidation mainly occurs with bulk lattice oxygen. (orig.)

  9. Recent Experience Using Active Love Wave Techniques to Characterize Seismographic Station Sites

    Science.gov (United States)

    Martin, A. J.; Yong, A.; Salomone, L.

    2014-12-01

    Active-source Love waves recorded by the multi-channel analysis of surface wave (MASLW) technique were recently analyzed in two site characterization projects. Between 2010 and 2011, the 2009 American Recovery and Reinvestment Act (ARRA) funded GEOVision to conduct geophysical investigations at 189 seismographic stations—185 in California and 4 in the Central Eastern U.S. (CEUS). The original project plan was to utilize active and passive Rayleigh wave-based techniques to obtain shear-wave velocity (VS) profiles to a minimum depth of 30 m and the time-averaged VS of the upper 30 meters (VS30). Early in the investigation it became evident that Rayleigh wave techniques, such as multi-channel analysis of surface waves (MASRW), were not effective at characterizing all sites. Shear-wave seismic refraction and MASLW techniques were therefore applied. The MASLW technique was deployed at a total of 38 sites, in addition to other methods, and used as the primary technique to characterize 22 sites, 5 of which were also characterized using Rayleigh wave techniques. In 2012, the Electric Power Research Institute funded characterization of 33 CEUS station sites. Based on experience from the ARRA investigation, both MASRW and MASLW data were acquired by GEOVision at 24 CEUS sites—the remaining 9 sites and 2 overlapping sites were characterized by University of Texas, Austin. Of the 24 sites characterized by GEOVision, 16 were characterized using MASLW data, 4 using both MASLW and MASRW data and 4 using MASRW data. Love wave techniques were often found to perform better, or at least yield phase velocity data that could be more readily modeled using the fundamental mode assumption, at shallow rock sites, sites with steep velocity gradients, and, sites with a thin, low velocity, surficial soil layer overlying stiffer sediments. These types of velocity structure often excite dominant higher modes in Rayleigh wave data, but not in Love wave data. At such sites, it may be possible

  10. Moving the Barricades to Physical Activity: A Qualitative Analysis of Open Streets Initiatives Across the United States.

    Science.gov (United States)

    Eyler, Amy A; Hipp, J Aaron; Lokuta, Julie

    2015-01-01

    Ciclovía, or Open Streets initiatives, are events where streets are opened for physical activity and closed to motorized traffic. Although the initiatives are gaining popularity in the United States, little is known about planning and implementing them. The goals of this paper are to explore the development and implementation of Open Streets initiatives and make recommendations for increasing the capacity of organizers to enhance initiative success. Phenomenology with qualitative analysis of structured interviews was used. Study setting was urban and suburban communities in the United States. Study participants were organizers of Open Streets initiatives in U.S. cities. Using a list of 47 events held in 2011, 27 lead organizers were interviewed by telephone about planning, implementation, and lessons learned. The interviews were digitally recorded and transcribed. A phenomenologic approach was used, an initial coding tool was developed after reviewing a sample of transcripts, and constant comparative coding methodology was applied. Themes and subthemes were generated from codes. The most common reasons for initiation were to highlight or improve health and transportation. Most initiatives aimed to reach the general population, but some targeted families, children, or specific neighborhoods. Getting people to understand the concept of Open Streets was an important challenge. Other challenges included lack of funding and personnel, and complex logistics. These initiatives democratize public space for citizens while promoting physical activity, social connectedness, and other broad agendas. There are opportunities for the research community to contribute to the expanse and sustainability of Open Streets, particularly in evaluation and dissemination.

  11. Active site diversification of P450cam with indole generates catalysts for benzylic oxidation reactions

    Directory of Open Access Journals (Sweden)

    Paul P. Kelly

    2015-09-01

    Full Text Available Cytochrome P450 monooxygenases are useful biocatalysts for C–H activation, and there is a need to expand the range of these enzymes beyond what is naturally available. A panel of 93 variants of active self-sufficient P450cam[Tyr96Phe]-RhFRed fusion enzymes with a broad diversity in active site amino acids was developed by screening a large mutant library of 16,500 clones using a simple, highly sensitive colony-based colorimetric screen against indole. These mutants showed distinct fingerprints of activity not only when screened in oxidations of substituted indoles but also for unrelated oxidations such as benzylic hydroxylations.

  12. THE ACTIVITIES OF THE NATIONAL BANK OF UKRAINE ON THE OPEN MARKET: OPERATION WITH CERTIFICATES OF DEPOSITS

    Directory of Open Access Journals (Sweden)

    Yuliia Harkusha

    2016-06-01

    Full Text Available In the article investigated the activities of the National Bank of Ukraine on the open market. The analysis of operations of the National Bank of Ukraine banks to raise funds placing deposit certificates. Defined impact operations of the central bank's own debt securities to trading volumes deposit certificates of the National Bank of Ukraine on the stock market and the credit activity of banks. Identified problems interest rate policy and the ways to overcome them. Key words: National Bank of Ukraine, certificates of deposits, open market, interest rate policy, banks, stock exchange. JEL: E 58

  13. Antispasmodic activity of Symplocos paniculata is mediated through opening of ATP-dependent K+ channel

    Directory of Open Access Journals (Sweden)

    Khalid Hussain Janbaz

    2016-06-01

    Full Text Available Symplocos paniculata is a medicinal plant used by native healers to manage gastrointestinal ailments. The crude methanolic extract of S. paniculata was screened pharmacologically both in vitro and in vivo for the validation of its therapeutic potential. It suppressed the spontaneous activity of isolated rabbit jejunum preparations and also caused inhibition of the low K+ (20 mM- induced spastic contractions in isolated rabbit jejunum preparations in a manner comparable to cromakalim. The relaxant effect was found to be blocked following glibenclamide exposure of the isolated tissue preparations similar to cromakalim, suggesting that observed response was likely to be mediated through opening of ATP dependent K+ channels. Following oral administration to mice provided protection against castor oil-induced diarrhea in a manner similar to loperamide. The plant material was found safe in toxicity study up to oral dose of 8 g/kg in mice. Hence, present study provides a scientific basis for the vernacular use of S. paniculata in gastro-intestinal system.

  14. A three-dimensional model of mammalian tyrosinase active site accounting for loss of function mutations.

    Science.gov (United States)

    Schweikardt, Thorsten; Olivares, Concepción; Solano, Francisco; Jaenicke, Elmar; García-Borrón, José Carlos; Decker, Heinz

    2007-10-01

    Tyrosinases are the first and rate-limiting enzymes in the synthesis of melanin pigments responsible for colouring hair, skin and eyes. Mutation of tyrosinases often decreases melanin production resulting in albinism, but the effects are not always understood at the molecular level. Homology modelling of mouse tyrosinase based on recently published crystal structures of non-mammalian tyrosinases provides an active site model accounting for loss-of-function mutations. According to the model, the copper-binding histidines are located in a helix bundle comprising four densely packed helices. A loop containing residues M374, S375 and V377 connects the CuA and CuB centres, with the peptide oxygens of M374 and V377 serving as hydrogen acceptors for the NH-groups of the imidazole rings of the copper-binding His367 and His180. Therefore, this loop is essential for the stability of the active site architecture. A double substitution (374)MS(375) --> (374)GG(375) or a single M374G mutation lead to a local perturbation of the protein matrix at the active site affecting the orientation of the H367 side chain, that may be unable to bind CuB reliably, resulting in loss of activity. The model also accounts for loss of function in two naturally occurring albino mutations, S380P and V393F. The hydroxyl group in S380 contributes to the correct orientation of M374, and the substitution of V393 for a bulkier phenylalanine sterically impedes correct side chain packing at the active site. Therefore, our model explains the mechanistic necessity for conservation of not only active site histidines but also adjacent amino acids in tyrosinase.

  15. Site-SpecificCu Labeling of the Serine Protease, Active Site Inhibited Factor Seven Azide (FVIIai-N), Using Copper Free Click Chemistry

    DEFF Research Database (Denmark)

    Jeppesen, Troels E; Kristensen, Lotte K; Nielsen, Carsten H

    2018-01-01

    A method for site-specific radiolabeling of the serine protease active site inhibited factor seven (FVIIai) with64Cu has been applied using a biorthogonal click reaction. FVIIai binds to tissue factor (TF), a trans-membrane protein involved in hemostasis, angiogenesis, proliferation, cell migrati...

  16. Identification and characterization of radioactively contaminated sites in Ukraine and planning for environmental restoration activities

    International Nuclear Information System (INIS)

    Soroka, Y.

    2000-01-01

    In the Pridniprovsk-Krivoy Rog region uranium, titanium, iron and manganese ores were mined and milled beginning in the 1950s. These activities have caused radioactive contamination of the environment at some sites. In recent times intensive works concerning the surveying of contaminated areas and substantiating the need for remediation have been initiated. The research methodologies applied and the results from radiation surveys are presented for the site of the first uranium mine in the Ukraine, for tailings originating from the Pridniprovsk Chemical Plant (PChP), for the recultivated dump-site of the former 'O'-mine, as well as for the wastes, raw materials and production of the Nicopol Ferro-Alloy Plant. The planning procedure for the remediation activities at the town of Zhovty Vody is described. (author)

  17. Remediation of uranium contaminated sites: clean-up activities in Serbia

    International Nuclear Information System (INIS)

    Raicevic, S.; Raicevic, J. . E-mail address of corresponding author: raich@beotel.yu; Raicevic, S.)

    2005-01-01

    One of the serious environmental problems in Serbia represent sites contaminated with depleted uranium (DU) during past war activities. According to UNEP reports and our findings there are two types of contamination: (i) localized points of high, concentrated contamination where DU penetrators enter the soil, and (ii) low level of widespread DU contamination, which indicates that during the conflict DU dust was dispersed into the environment. Remediation of these sites is an urgent need because they represent a permanent threat to the population living in this area. Here we give a brief description of approaches commonly used in remediation of DU contaminated sites, and an overview of current clean-up activities performed in Serbia. (author)

  18. An open simulation approach to identify chances and limitations for vulnerable road user (VRU) active safety.

    Science.gov (United States)

    Seiniger, Patrick; Bartels, Oliver; Pastor, Claus; Wisch, Marcus

    2013-01-01

    It is commonly agreed that active safety will have a significant impact on reducing accident figures for pedestrians and probably also bicyclists. However, chances and limitations for active safety systems have only been derived based on accident data and the current state of the art, based on proprietary simulation models. The objective of this article is to investigate these chances and limitations by developing an open simulation model. This article introduces a simulation model, incorporating accident kinematics, driving dynamics, driver reaction times, pedestrian dynamics, performance parameters of different autonomous emergency braking (AEB) generations, as well as legal and logical limitations. The level of detail for available pedestrian accident data is limited. Relevant variables, especially timing of the pedestrian appearance and the pedestrian's moving speed, are estimated using assumptions. The model in this article uses the fact that a pedestrian and a vehicle in an accident must have been in the same spot at the same time and defines the impact position as a relevant accident parameter, which is usually available from accident data. The calculations done within the model identify the possible timing available for braking by an AEB system as well as the possible speed reduction for different accident scenarios as well as for different system configurations. The simulation model identifies the lateral impact position of the pedestrian as a significant parameter for system performance, and the system layout is designed to brake when the accident becomes unavoidable by the vehicle driver. Scenarios with a pedestrian running from behind an obstruction are the most demanding scenarios and will very likely never be avoidable for all vehicle speeds due to physical limits. Scenarios with an unobstructed person walking will very likely be treatable for a wide speed range for next generation AEB systems.

  19. Screening Approach to the Activation of Soil and Contamination of Groundwater at Linear Proton Accelerator Sites

    CERN Document Server

    Otto, Thomas

    The activation of soil and the contamination of groundwater at proton accelerator sites with the radionuclides 3H and 22Na are estimated with a Monte-Carlo calculation and a conservative soil- and ground water model. The obtained radionuclide concentrations show that the underground environment of future accelerators must be adequately protected against a migration of activation products. This study is of particular importance for the proton driver accelerator in the planned EURISOL facility.

  20. Examination of a Social-Networking Site Activities Scale (SNSAS) Using Rasch Analysis

    Science.gov (United States)

    Alhaythami, Hassan; Karpinski, Aryn; Kirschner, Paul; Bolden, Edward

    2017-01-01

    This study examined the psychometric properties of a social-networking site (SNS) activities scale (SNSAS) using Rasch Analysis. Items were also examined with Rasch Principal Components Analysis (PCA) and Differential Item Functioning (DIF) across groups of university students (i.e., males and females from the United States [US] and Europe; N =…

  1. Electrochemical probing into the active sites of graphitic-layer encapsulated iron oxygen reduction reaction electrocatalysts

    DEFF Research Database (Denmark)

    Zhong, Lijie; Jensen, Jens Oluf; Cleemann, Lars Nilausen

    2018-01-01

    is still unclear compared with the well-recognized surface coordinated FeNx/C structure. Using the strong complexing effect of the iron component with anions, cyanide (CN−) in alkaline and thiocyanate (SCN−) in acidic media, the metal containing active sites are electrochemically probed. Three...

  2. Heme-Protein Active Site Models via Self-Assembly in Water

    NARCIS (Netherlands)

    Fiammengo, R.; Wojciechowski, Kamil; Crego Calama, Mercedes; Figoli, A.; Wessling, Matthias; Reinhoudt, David; Timmerman, P.

    2003-01-01

    Water-soluble models of heme-protein active sites are obtained via the self-assembly of cationic porphyrins 1 and tetrasulfonato calix[4]arene 2 (K1·2 = 105 M-1). Selective binding of ligands either outside or inside the cavity of assemblies 1·2 via coordination to the zinc center has been observed.

  3. Aberration-corrected imaging of active sites on industrial catalyst nanoparticles

    DEFF Research Database (Denmark)

    Gontard, Lionel Cervera; Chang, L-Y; Hetherington, CJD

    2007-01-01

    Picture perfect: Information about the local topologies of active sites on commercial nanoparticles can be gained with atomic resolution through spherical-aberration-corrected transmission electron microscopy (TEM). A powder of Pt nanoparticles on carbon black was examined with two advanced TEM t...

  4. 113Cd NMR as a Probe of the Active Sites of Metalloenzymes

    NARCIS (Netherlands)

    Armitage, Ian M.; Schoot Uiterkamp, Antonius J.M.; Chlebowski, Jan F.; Coleman, Joseph E.

    1978-01-01

    113Cd NMR has been used to study the active site metal ion(s) of the 113Cd(II) derivatives of four Zn(II) metalloenzymes, carboxypeptidase A, carbonic anhydrases, alkaline phosphatase, and superoxide dismutase. The resonances of the enzyme-bound 113Cd(II) ions are extremely sensitive to ligand

  5. Application of QA grading to Yucca Mountain Site Characterization Project items and activities

    International Nuclear Information System (INIS)

    Murthy, R.B.; Smith, S.C.

    1991-01-01

    Grading is the act of selecting the quality assurance (QA) measures necessary to develop and maintain confidence in the quality of an item or activity. The list of QA measures from which this selection is made are the 20 criteria of the Yucca Mountain Site Characterization Project Quality Assurance Requirements Document

  6. Identification of the provenience of Majolica from sites in the Caribbean using neutron activation analysis

    International Nuclear Information System (INIS)

    Olin, J.S.; Sayre, E.V.

    1975-01-01

    Tin-enamelled earthenware pottery from five early Spanish Colonial sites in the Dominican Republic and Venezuela were sampled and analyzed by neutron activation analysis in an attempt to determine whether these sherds had a common source. The tentative conclusion was that although several sources were indicated for the specimens analyzed the overall similarity in composition indicated that these sources were probably closely related

  7. Active site electrostatics protect genome integrity by blocking abortive hydrolysis during DNA recombination

    Science.gov (United States)

    Ma, Chien-Hui; Rowley, Paul A; Macieszak, Anna; Guga, Piotr; Jayaram, Makkuni

    2009-01-01

    Water, acting as a rogue nucleophile, can disrupt transesterification steps of important phosphoryl transfer reactions in DNA and RNA. We have unveiled this risk, and identified safeguards instituted against it, during strand cleavage and joining by the tyrosine site-specific recombinase Flp. Strand joining is threatened by a latent Flp endonuclease activity (type I) towards the 3′-phosphotyrosyl intermediate resulting from strand cleavage. This risk is not alleviated by phosphate electrostatics; neutralizing the negative charge on the scissile phosphate through methylphosphonate (MeP) substitution does not stimulate type I endonuclease. Rather, protection derives from the architecture of the recombination synapse and conformational dynamics within it. Strand cleavage is protected against water by active site electrostatics. Replacement of the catalytic Arg-308 of Flp by alanine, along with MeP substitution, elicits a second Flp endonuclease activity (type II) that directly targets the scissile phosphodiester bond in DNA. MeP substitution, combined with appropriate active site mutations, will be useful in revealing anti-hydrolytic mechanisms engendered by systems that mediate DNA relaxation, DNA transposition, site-specific recombination, telomere resolution, RNA splicing and retrohoming of mobile introns. PMID:19440204

  8. Metal ion site engineering indicates a global toggle switch model for seven-transmembrane receptor activation

    DEFF Research Database (Denmark)

    Elling, Christian E; Frimurer, Thomas M; Gerlach, Lars-Ole

    2006-01-01

    for monoamine binding in TM-III, was used as the starting point to engineer activating metal ion sites between the extracellular segments of the beta2-adrenergic receptor. Cu(II) and Zn(II) alone and in complex with aromatic chelators acted as potent (EC50 decreased to 0.5 microm) and efficacious agonists...

  9. Substrate binding in the active site of cytochrome P450cam

    NARCIS (Netherlands)

    Swart, M.; Groenhof, A.R.; Ehlers, A.W.; Lammertsma, K.

    2005-01-01

    We have studied the binding of camphor in the active site of cytochrome P450cam with density functional theory (DFT) calculations. A strong hydrogen bond (>6 kcal/mol) to a tyrosine residue (Tyr96) is observed, that may account for the high specificity of the reaction taking place. The DFT

  10. Influenza B viruses with mutation in the neuraminidase active site, North Carolina, USA, 2010-11.

    Science.gov (United States)

    Sleeman, Katrina; Sheu, Tiffany G; Moore, Zack; Kilpatrick, Susan; Garg, Shikha; Fry, Alicia M; Gubareva, Larisa V

    2011-11-01

    Oseltamivir is 1 of 2 antiviral medications available for the treatment of influenza B virus infections. We describe and characterize a cluster of influenza B viruses circulating in North Carolina with a mutation in the neuraminidase active site that may reduce susceptibility to oseltamivir and the investigational drug peramivir but not to zanamivir.

  11. United States and European students’ social-networking site activities and academic performance

    NARCIS (Netherlands)

    Karpinski, Aryn; Kirschner, Paul A.; Shreffler, Anthony; Albert, Patricia; Tomko, Carrie

    2018-01-01

    Different cultures communicate differently. Research is beginning to examine the differences in culture related to social-networking site (SNS) use. Differences in specific SNS activities related to academic performance among United States (US; n = 446) and European (n = 394) university students

  12. Gasification under CO2–Steam Mixture: Kinetic Model Study Based on Shared Active Sites

    Directory of Open Access Journals (Sweden)

    Xia Liu

    2017-11-01

    Full Text Available In this work, char gasification of two coals (i.e., Shenfu bituminous coal and Zunyi anthracite and a petroleum coke under a steam and CO2 mixture (steam/CO2 partial pressures, 0.025–0.075 MPa; total pressures, 0.100 MPa and CO2/steam chemisorption of char samples were conducted in a Thermogravimetric Analyzer (TGA. Two conventional kinetic models exhibited difficulties in exactly fitting the experimental data of char–steam–CO2 gasification. Hence, a modified model based on Langmuir–Hinshelwood model and assuming that char–CO2 and char–steam reactions partially shared active sites was proposed and had indicated high accuracy for estimating the interactions in char–steam–CO2 reaction. Moreover, it was found that two new model parameters (respectively characterized as the amount ratio of shared active sites to total active sites in char–CO2 and char–steam reactions in the modified model hardly varied with gasification conditions, and the results of chemisorption indicate that these two new model parameters mainly depended on the carbon active sites in char samples.

  13. Substitution of Active Site Tyrosines with Tryptophan Alters the Free Energy for Nucleotide Flipping by Human Alkyladenine DNA Glycosylase†

    Science.gov (United States)

    Hendershot, Jenna M.; Wolfe, Abigail E.; O'Brien, Patrick J.

    2011-01-01

    Human alkyladenine DNA glycosylase (AAG) locates and excises a wide variety of structurally diverse alkylated and oxidized purine lesions from DNA to initiate the base excision repair pathway. Recognition of a base lesion requires flipping of the damaged nucleotide into a relatively open active site pocket between two conserved tyrosine residues, Y127 and Y159. We have mutated each of these amino acids to tryptophan and measured the kinetic effects on the nucleotide flipping and base excision steps. The Y127W and Y159W mutant proteins have robust glycosylase activity toward DNA containing 1,N6-ethenoadenine (εA), within 4-fold of that of the wildtype enzyme, raising the possibility that tryptophan fluorescence could be used to probe the DNA binding and nucleotide flipping steps. Stopped-flow fluorescence was used to compare the time-dependent changes in tryptophan fluorescence and εA fluorescence. For both mutants, the tryptophan fluorescence exhibited two-step binding with essentially identical rate constants as were observed for the εA fluorescence changes. These results provide evidence that AAG forms an initial recognition complex in which the active site pocket is perturbed and the stacking of the damaged base is disrupted. Upon complete nucleotide flipping, there is further quenching of the tryptophan fluorescence with coincident quenching of the εA fluorescence. Although these mutations do not have large effects on the rate constant for excision of εA, there are dramatic effects on the rate constants for nucleotide flipping that result in 40 to 100-fold decreases in the flipping equilibrium relative to wildtype. Most of this effect is due to an increased rate of unflipping, but surprisingly the Y159W mutation causes a 5-fold increase in the rate constant for flipping. The large effect on the equilibrium for nucleotide flipping explains the greater deleterious effects that these mutations have on the glycosylase activity toward base lesions that are in

  14. Digital maker-entrepreneurs in open design: What activities make up their business model?

    NARCIS (Netherlands)

    Dr. P. Troxler; Patricia Wolf

    2017-01-01

    The business models of digital maker-entrepreneurs in open design are inextricably linked to the broader open design community. Digital makers share designs on online platforms such as Thingiverse and use digital manufacturing technology such as 3-D printing as a generative mechanism for their

  15. Requirement of histidine 217 for ubiquinone reductase activity (Qi site) in the cytochrome bc1 complex.

    Science.gov (United States)

    Gray, K A; Dutton, P L; Daldal, F

    1994-01-25

    Folding models suggest that the highly conserved histidine 217 of the cytochrome b subunit from the cytochrome bc1 complex is close to the quinone reductase (Qi) site. This histidine (bH217) in the cytochrome b polypeptide of the photosynthetic bacterium Rhodobacter capsulatus has been replaced with three other residues, aspartate (D), arginine (R), and leucine (L). bH217D and bH217R are able to grow photoheterotrophically and contain active cytochrome bc1 complexes (60% of wild-type activity), whereas the bH217L mutant is photosynthetically incompetent and contains a cytochrome bc1 complex that has only 10% of the wild-type activity. Single-turnover flash-activated electron transfer experiments show that cytochrome bH is reduced via the Qo site with near native rates in the mutant strains but that electron transfer between cytochrome bH and quinone bound at the Qi site is greatly slowed. These results are consistent with redox midpoint potential (Em) measurements of the cytochrome b subunit hemes and the Qi site quinone. The Em values of cyt bL and bH are approximately the same in the mutants and wild type, although the mutant strains have a larger relative concentration of what may be the high-potential form of cytochrome bH, called cytochrome b150. However, the redox properties of the semiquinone at the Qi site are altered significantly. The Qi site semiquinone stability constant of bH217R is 10 times higher than in the wild type, while in the other two strains (bH217D and bH217L) the stability constant is much lower than in the wild type. Thus H217 appears to have major effects on the redox properties of the quinone bound at the Qi site. These data are incorporated into a suggestion that H217 forms part of the binding pocket of the Qi site in a manner reminiscent of the interaction between quinone bound at the Qb site and H190 of the L subunit of the bacterial photosynthetic reaction center.

  16. Application of open-path Fourier transform infrared spectroscopy for atmospheric monitoring of a CO2 back-production experiment at the Ketzin pilot site (Germany).

    Science.gov (United States)

    Sauer, Uta; Borsdorf, H; Dietrich, P; Liebscher, A; Möller, I; Martens, S; Möller, F; Schlömer, S; Schütze, C

    2018-02-03

    During a controlled "back-production experiment" in October 2014 at the Ketzin pilot site, formerly injected CO 2 was retrieved from the storage formation and directly released to the atmosphere via a vent-off stack. Open-path Fourier transform infrared (OP FTIR) spectrometers, on-site meteorological parameter acquisition systems, and distributed CO 2 point sensors monitored gas dispersion processes in the near-surface part of the atmospheric boundary layer. The test site provides a complex and challenging mosaic-like surface setting for atmospheric monitoring which can also be found at other storage sites. The main aims of the atmospheric monitoring of this experiment were (1) to quantify temporal and spatial variations in atmospheric CO 2 concentrations around the emitting vent-off stack and (2) to test if and how atmospheric monitoring can cope with typical environmental and operational challenges. A low environmental risk was encountered during the whole CO 2 back-production experiment. The study confirms that turbulent wind conditions favor atmospheric mixing processes and are responsible for rapid dilution of the released CO 2 leading to decreased detectability at all sensors. In contrast, calm and extremely stable wind conditions (especially occurring during the night) caused an accumulation of gases in the near-ground atmospheric layer with the highest amplitudes in measured gas concentration. As an important benefit of OP FTIR spectroscopic measurements and their ability to detect multiple gas species simultaneously, emission sources could be identified to a much higher certainty. Moreover, even simulation models using simplified assumptions help to find suitable monitoring network designs and support data analysis for certain wind conditions in such a complex environment.

  17. Characterization and sequencing of the active site of 1-aminocyclopropane-1-carboxylate synthase

    International Nuclear Information System (INIS)

    Yip, Wing-Kin; Dong, Jian-Guo; Yang, S.F.; Kenny, J.W.; Thompson, G.A.

    1990-01-01

    The pyridoxal phosphate (PLP)-dependent 1-aminocyclopropane-1-carboxylic acid (ACC) synthase the key enzyme in ethylene biosynthesis, is inactivated by its substrate S-adenosylmethionine (AdoMet). Apple ACC synthase was purified with an immunoaffinity gel, and its active site was probed with NaB 3 H 4 or Ado[ 14 C]Met. Peptide sequencing of both 3 H- and 14 C-labeled peptides revealed a common dodecapeptide of Ser-Leu-Ser-Xaa-Asp-Leu-Gly-Leu-Pro-Gly-Phe-Arg, where Xaa was the modified, radioactive residue in each case. Acid hydrolysis of the 3 H-labeled enzyme released radioactive N-pyridoxyllysine, indicating that the active-site peptide contained lysine at position 4. Mass spectrometry of the 14 C-labeled peptide indicated a protonated molecular ion at m/z 1390.6, from which the mass of Xaa was calculated to be 229, a number that is equivalent to the mass of a lysine residue alkylated by the 2-aminobutyrate portion of AdoMet, as we previously proposed. These results indicate that the same active-site lysine binds the PLP and convalently links to the 2-aminobutyrate portion of AdoMet during inactivation. The active site of tomato ACC synthase was probed in the same manner with Ado [ 14 C]Met. Sequencing of the tomato active-site peptide revealed two highly conserved dodecapeptides; the minor peptide possessed a sequence identical to that of the apple enzyme, whereas the major peptide differed from the minor peptide in that methionine replaced leucine at position 6

  18. Management of Ground and Groundwater Contamination on a Compact Site Constrained by Ongoing Activities

    International Nuclear Information System (INIS)

    Eilbeck, K.E.; Reeve, P.

    2009-01-01

    Sellafield Site is a compact and complex site which since the 1940's has been home to a range of facilities associated with the production and reprocessing of fissile material. The site contains the UK equivalent of the Chicago Pile-1 reactor, Hanford B Reactor, Rocky Flats Buildings 771 and 774, West Valley Main Process Plant Building, Savannah River Vitrification Plant, Savannah River MOX Plant, Savannah River F Canyon, Hanford 222 Analytical Laboratory, Savannah River K-, L-, and P-Basins, and the Fort St. Vrain Reactor all in an area of approximately 1000 acres. Spent fuel reprocessing is still undertaken on site; however waste management and decommissioning activities are of increasing importance. These include the emptying and removal of fragile ponds and silos containing significant radioactive inventories, the decommissioning of reactors (including the world's first commercial reactor for power generation and the Windscale Piles, the site of a reactor fire in the late 1950's) and the construction of a new generation of vitrification and encapsulation plants. Leaks, spills and on-site disposals during the site's industrial lifetime have resulted in a legacy of fission products and other radionuclides in the ground and groundwater. Volumes of contaminated ground have been estimated as being as much as 18 million m 3 and an estimated below ground inventory of approximately 1.8 E16 Bq. These have all occurred within close proximity to a range of receptors including farm land and the sea. The cramped nature of the facilities on site, overlapping source terms and ongoing decommissioning, waste management and operating activities all raise significant challenges in the management and remediation of contaminated land and groundwater. The strategy to address these challenges includes: 1. Data collection, management and interpretation. The congested nature of the site and the age of some of the monitoring facilities has resulted in particular difficulties. For

  19. Bacterial Abundance and Activity across Sites within Two Northern Wisconsin Sphagnum Bogs.

    Science.gov (United States)

    Fisher; Graham; Graham

    1998-11-01

    Abstract Bacterial abundance, temperature, pH, and dissolved organic carbon (DOC) concentration were compared across surface sites within and between two northern Wisconsin Sphagnum peatlands over the summer seasons in 1995 and 1996. Sites of interest were the Sphagnum mat surface, the water-filled moat (lagg) at the bog margin, and the bog lake littoral zone. Significant differences in both bacterial populations and water chemistry were observed between sites. pH was highest in the lake and lowest in the mat at both bogs; the opposite was true for DOC. Large populations of bacteria were present in surface interstitial water from the mat; abundance in this site was consistently higher than in the moat or lake. Bacterial abundance also increased across sites of increasing DOC concentration and declining pH. Bacterial activities (rates of [3H]leucine incorporation) and growth in dilution cultures (with grazers removed) were also assessed in lake, moat, and mat sites. Results using these measures generally supported the trends observed in abundance, although high rates of [3H]leucine incorporation were recorded in the moat at one of the bogs. Our results indicate that bacterial populations in Sphagnum peatlands are not adversely affected by acidity, and that DOC may be more important than pH in determining bacterial abundance in these environments.

  20. Roles of s3 site residues of nattokinase on its activity and substrate specificity.

    Science.gov (United States)

    Wu, Shuming; Feng, Chi; Zhong, Jin; Huan, Liandong

    2007-09-01

    Nattokinase (Subtilisin NAT, NK) is a bacterial serine protease with high fibrinolytic activity. To probe their roles on protease activity and substrate specificity, three residues of S3 site (Gly(100), Ser(101) and Leu(126)) were mutated by site-directed mutagenesis. Kinetics parameters of 20 mutants were measured using tetrapeptides as substrates, and their fibrinolytic activities were determined by fibrin plate method. Results of mutation analysis showed that Gly(100) and Ser(101) had reverse steric and electrostatic effects. Residues with bulky or positively charged side chains at position 100 decreased the substrate binding and catalytic activity drastically, while residues with the same characters at position 101 could obviously enhance protease and fibrinolytic activity of NK. Mutation of Leu(126) might impair the structure of the active cleft and drastically decreased the activity of NK. Kinetics studies of the mutants showed that S3 residues were crucial to keep protease activity while they moderately affected substrate specificity of NK. The present study provided some original insight into the P3-S3 interaction in NK and other subtilisins, as well as showed successful protein engineering cases to improve NK as a potential therapeutic agent.

  1. Integral Public Activities as a Support to the Site Selection Process for LILW Repository

    International Nuclear Information System (INIS)

    Zeleznik, N.; Kralj, M.

    2008-01-01

    The first site selection process for low and intermediate level radioactive waste (LILW) repository took place between 1990 and 1993 in Slovenia was stopped unsuccessfully with very strong public opposition at local level, followed by political withdrawal on national level. As one of the consequences ARAO started to develop new approach to the site selection based also on the findings from sociology, psychology and other human sciences. The recommendations on public involvement and transparency were so strong that ARAO started with first limited public relation (PR) activities which later grew to the PR process which supports all technical activities in ARAO. Presently the PR process covers communication, information and research activities and assures careful planning, prompt responds and involvement of the highest responsible persons at ARAO. Integral public relation activities are divided in several parts. Majority of activities support the on-going site selection process where activities are presently focused on functioning of local partnerships developed as a basic communication tool to involve as much citizens and public as possible on local level. Presently two local partnerships are working in Krsko and Brezice community with clear role to enhance public involvement according to Aarchus convention. Each of the partnerships is organized in a specific way adjusted to the local needs. Communication activities are organized also for different other projects and are preparing the necessary basis for the work with different groups of stake holders and in different situations. As a foundation very broad information material, such as books, leaflets, reports, magazines, video cassettes, CD and DVD on the radioactive waste management is prepared and used for different purposes. We also try to be proactive with web pages and have a well organized visitors' center. Improvement of public relation process is achieved through constant survey and feed-back information

  2. Spastin subcellular localization is regulated through usage of different translation start sites and active export from the nucleus

    International Nuclear Information System (INIS)

    Claudiani, Pamela; Riano, Elena; Errico, Alessia; Andolfi, Gennaro; Rugarli, Elena I.

    2005-01-01

    Most cases of autosomal-dominant hereditary spastic paraplegia are linked to mutations in SPG4 encoding spastin, a protein involved in microtubule dynamics and membrane trafficking. In pyramidal neurons of the motor cortex and in immortalized motor neurons, spastin is localized to the synaptic terminals and growth cones. However, in other neurons and in proliferating cells spastin is prevalently nuclear. The mechanisms that determine targeting of spastin to the nucleus or the cytoplasm are unknown. We show here that the SPG4 mRNA is able to direct synthesis of two spastin isoforms, 68 and 60 kDa, respectively, through usage of two different translational start sites. Both isoforms are imported into the nucleus, but the 68-kDa isoform contains two nuclear export signals that efficiently drive export to the cytoplasm. Nuclear export is leptomycin-B sensitive. The cytoplasmic 68-kDa spastin isoform is more abundant in the brain and the spinal cord than in other tissues. Our data indicate that spastin function is modulated through usage of alternative translational start sites and active nuclear import and export, and open new perspectives for the pathogenesis of hereditary spastic paraplegia

  3. Expansion of access tunnels and active-site cavities influence activity of haloalkane dehalogenases in organic cosolvents.

    Science.gov (United States)

    Stepankova, Veronika; Khabiri, Morteza; Brezovsky, Jan; Pavelka, Antonin; Sykora, Jan; Amaro, Mariana; Minofar, Babak; Prokop, Zbynek; Hof, Martin; Ettrich, Rudiger; Chaloupkova, Radka; Damborsky, Jiri

    2013-05-10

    The use of enzymes for biocatalysis can be significantly enhanced by using organic cosolvents in the reaction mixtures. Selection of the cosolvent type and concentration range for an enzymatic reaction is challenging and requires extensive empirical testing. An understanding of protein-solvent interaction could provide a theoretical framework for rationalising the selection process. Here, the behaviour of three model enzymes (haloalkane dehalogenases) was investigated in the presence of three representative organic cosolvents (acetone, formamide, and isopropanol). Steady-state kinetics assays, molecular dynamics simulations, and time-resolved fluorescence spectroscopy were used to elucidate the molecular mechanisms of enzyme-solvent interactions. Cosolvent molecules entered the enzymes' access tunnels and active sites, enlarged their volumes with no change in overall protein structure, but surprisingly did not act as competitive inhibitors. At low concentrations, the cosolvents either enhanced catalysis by lowering K(0.5) and increasing k(cat), or caused enzyme inactivation by promoting substrate inhibition and decreasing k(cat). The induced activation and inhibition of the enzymes correlated with expansion of the active-site pockets and their occupancy by cosolvent molecules. The study demonstrates that quantitative analysis of the proportions of the access tunnels and active-sites occupied by organic solvent molecules provides the valuable information for rational selection of appropriate protein-solvent pair and effective cosolvent concentration. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Final closure plan for the high-explosives open burn treatment facility at Lawrence Livermore National Laboratory Experimental Test Site 300

    Energy Technology Data Exchange (ETDEWEB)

    Mathews, S.

    1997-04-01

    This document addresses the interim status closure of the HE Open Bum Treatment Facility, as detailed by Title 22, Division 4.5, Chapter 15, Article 7 of the Califonia Code of Regulations (CCR) and by Title 40, Code of Federal Regulations (CFR) Part 265, Subpart G, ``Closure and Post Closure.`` The Closure Plan (Chapter 1) and the Post- Closure Plan (Chapter 2) address the concept of long-term hazard elimination. The Closure Plan provides for capping and grading the HE Open Bum Treatment Facility and revegetating the immediate area in accordance with applicable requirements. The Closure Plan also reflects careful consideration of site location and topography, geologic and hydrologic factors, climate, cover characteristics, type and amount of wastes, and the potential for contaminant migration. The Post-Closure Plan is designed to allow LLNL to monitor the movement, if any, of pollutants from the treatment area. In addition, quarterly inspections will ensure that all surfaces of the closed facility, including the cover and diversion ditches, remain in good repair, thus precluding the potential for contaminant migration.

  5. Assessing impacts on biological resources from Site Characterization Activities of the Yucca Mountain Project

    International Nuclear Information System (INIS)

    Green, R.A.; Cox, M.K.; Doerr, T.B.; O'Farrell, T.P.; Ostler, W.K.; Rautenstrauch, K.R.; Wills, C.A.

    1991-01-01

    An integrated impact assessment program was developed to monitor the possible effects of Site Characterization Activities (SCA) on the biological resources of the Yucca Mountain area. The program uses control and treatment sites incorporating both spatial and temporal controls. The selection of biotic variables for monitoring was based on their relative importance in the ecosystem and their ability to provide information on potential impacts. All measures of biotic and abiotic variables will be made on the same sample plots to permit linking changes in variables to each other

  6. Technical basis for classification of low-activity waste fraction from Hanford site tanks

    Energy Technology Data Exchange (ETDEWEB)

    Petersen, C.A., Westinghouse Hanford

    1996-07-17

    The overall objective of this report is to provide a technical basis to support a U.S. Nuclear Regulatory Commission determination to classify the low-activity waste from the Hanford Site single-shell and double-shell tanks as `incidental` wastes after removal of additional radionuclides and immobilization.The proposed processing method, in addition to the previous radionuclide removal efforts, will remove the largest practical amount of total site radioactivity, attributable to high-level wastes, for disposal in a deep geologic repository. The remainder of the waste would be considered `incidental` waste and could be disposed onsite.

  7. Technical basis for classification of low-activity waste fraction from Hanford site tanks

    Energy Technology Data Exchange (ETDEWEB)

    Petersen, C.A.

    1996-09-20

    The overall objective of this report is to provide a technical basis to support a U.S. Nuclear Regulatory Commission determination to classify the low-activity waste from the Hanford Site single-shell and double-shell tanks as `incidental` wastes after removal of additional radionuclides and immobilization.The proposed processing method, in addition to the previous radionuclide removal efforts, will remove the largest practical amount of total site radioactivity, attributable to high-level waste, for disposal is a deep geologic repository. The remainder of the waste would be considered `incidental` waste and could be disposed onsite.

  8. Regulatory inspection activities on nuclear power plant sites during construction in the United Kingdom

    International Nuclear Information System (INIS)

    Jeffery, J.V.

    1977-01-01

    The work of regulatory inspection of the construction of the plant on the site is performed not only by the inspector who has been allocated to inspection duties for that site but also by the specialist staff who are involved with the safety assessment of the plant. The co-ordination of this work is described in the paper and examples are given of inspection activities associated with the enforcement requirements of licence conditions as well as those related to the inspection of the plant itself. (author)

  9. Unraveling the Nature of Sites Active toward Hydrogen Peroxide Reduction in Fe?N?C Catalysts

    OpenAIRE

    Choi, Chang Hyuck; Choi, Won Seok; Kasian, Olga; Mechler, Anna K.; Sougrati, Moulay Tahar; Br?ller, Sebastian; Strickland, Kara; Jia, Qingying; Mukerjee, Sanjeev; Mayrhofer, Karl J. J.; Jaouen, Fr?d?ric

    2017-01-01

    Abstract Fe?N?C catalysts with high O2 reduction performance are crucial for displacing Pt in low?temperature fuel cells. However, insufficient understanding of which reaction steps are catalyzed by what sites limits their progress. The nature of sites were investigated that are active toward H2O2 reduction, a key intermediate during indirect O2 reduction and a source of deactivation in fuel cells. Catalysts comprising different relative contents of FeN x C y moieties and Fe particles encapsu...

  10. A note on the perverse effects of actively open-minded thinking on climate-change polarization

    Directory of Open Access Journals (Sweden)

    Dan M. Kahan

    2016-11-01

    Full Text Available This research note presents evidence that political polarization over the reality of human-caused climate change increases in tandem with individuals’ scores on a standard measure of actively open-minded thinking. This finding is at odds with the position that attributes political conflict over facts to a personality trait of closed-mindedness associated with political conservatism.

  11. Senior expert group for the review of the Agency`s programme of activities. Opening remarks by the Director General

    Energy Technology Data Exchange (ETDEWEB)

    ElBaradei, M [International Atomic Energy Agency, Vienna (Austria)

    1998-03-23

    The document reproduces the opening remarks made by the Director General of the IAEA on 23 March 1998 at the first meeting of the Senior Expert Group for the review of the Agency`s programme and activities. The Director General explains his considerations in establishing the group, and the major challenges facing the safe use of nuclear energy and technologies

  12. [Effects of nootropic agents on visual functions and lacrimal antioxidative activity in patients with primary open-angle glaucoma].

    Science.gov (United States)

    Davydova, N G; Kuznetsova, T P; Borisova, S A; Abdulkadyrova, M Zh

    2006-01-01

    The paper presents the results of an investigation of the effect of the nootropic agents pantogam and nooclerine on visual functions in patients with primary open-angle glaucoma. These agents have been found to have a beneficial effect on the functional activity of the retina and optic nerve, light sensitivity, hemo- and hydrodynamics of the eye.

  13. Senior expert group for the review of the Agency's programme of activities. Opening remarks by the Director General

    International Nuclear Information System (INIS)

    ElBaradei, M.

    1998-01-01

    The document reproduces the opening remarks made by the Director General of the IAEA on 23 March 1998 at the first meeting of the Senior Expert Group for the review of the Agency's programme and activities. The Director General explains his considerations in establishing the group, and the major challenges facing the safe use of nuclear energy and technologies

  14. Open hardware for open science

    CERN Multimedia

    CERN Bulletin

    2011-01-01

    Inspired by the open source software movement, the Open Hardware Repository was created to enable hardware developers to share the results of their R&D activities. The recently published CERN Open Hardware Licence offers the legal framework to support this knowledge and technology exchange.   Two years ago, a group of electronics designers led by Javier Serrano, a CERN engineer, working in experimental physics laboratories created the Open Hardware Repository (OHR). This project was initiated in order to facilitate the exchange of hardware designs across the community in line with the ideals of “open science”. The main objectives include avoiding duplication of effort by sharing results across different teams that might be working on the same need. “For hardware developers, the advantages of open hardware are numerous. For example, it is a great learning tool for technologies some developers would not otherwise master, and it avoids unnecessary work if someone ha...

  15. Structure and Function Relationship of Activated Retinal Glia in Primary Open-Angle Glaucoma Patients

    Directory of Open Access Journals (Sweden)

    Christoph Nützi

    2017-01-01

    Full Text Available Purpose. To evaluate clinically activated retinal astrocytes and Müller cells (ARAM regarding retinal sensitivity and retinal nerve fiber layer (RNFL thickness in primary open-angle glaucoma (POAG. Methods. Central visual field (VF; i.e., retinal sensitivity was measured with a custom-made macular pattern by microperimetry and correlated with the presence (ARAM+ or absence (ARAM− of ARAM on red-free fundus photography and with the corresponding RNFL by optical coherence tomography (OCT. Results. In the eyes of POAG patients, ARAM+ had overall a significantly lower retinal sensitivity (ARAM+: 7.34 dB, ARAM−: 11.9 dB; p<0.001 and lower RNFL thickness in the inferior peripapillary quadrants compared to ARAM− (RNFL superior: ARAM+ 74.2 μm, ARAM− 77.5 μm; RNFL temporal: ARAM+ 46.8 μm, ARAM− 53.0 μm, p<0.001; and RNFL inferior: ARAM+ 63.2 μm, ARAM− 73.1 μm, p<0.001. Within the same eye, ARAM+ showed a lower retinal sensitivity compared to ARAM− ([ARAM− (11.13 dB] − [ARAM+ (9.56 dB = 1.57 dB; p=0.25. The proportion of ARAM+ per eye correlated strongly with reduced retinal light sensitivity (p=0.02, corresponding lower peripapillary RNFL thickness (p=0.02, and lower RNFL temporal quadrant thickness (p<0.01, but not with greater age (p=0.45. Conclusion. ARAM was more frequently identified in the eyes with a lower retinal sensitivity and peripapillary RNFL thickness and may be a clinical sign in the macula for an advanced stage of POAG.

  16. Assessment of national systems for obtaining local acceptance of nuclear waste management siting activities

    International Nuclear Information System (INIS)

    Paige, H.W.; Owens, J.E.

    1984-01-01

    On behalf of the United States Department of Energy (DOE), International Energy Associates Limited (IEAL) of Washington, D.C. has conducted surveys and analyses of fourteen countries' plans and approaches for dealing with the problems of obtaining local siting acceptance for nuclear waste management facilities. It was determined that the following elements of the formal systems generally facilitate and/or expedite waste management siting decisions: (1) a clear-cut pro-nuclear power position on the part of the government; (2) a willingness on the part of the central government to exert (with prudence and restraint) its pre-emptive rights in nuclear matters; (3) political structures in which the heads of regional or provincial governments are appointed by the central government; (4) national laws that link reactor licensing with a detailed plan for waste management; (5) an established and stable policy with regard to reprocessing. In contrast, it was determined that the following elements of the formal system generally hinder waste management siting activities: (1) historically strong local land used veto laws; (2) the use of national referenda for making nuclear decisions; (3) requirements for public hearings. The informal approaches fall into the following five categories: (1) political: e.g. assertion of will by political leaders, activities to enlist support of local politicians, activities to broaden involvement in decision-making; (2) economic: e.g. emphasis on normal benefits, provision for additional economic benefits; (3) siting: e.g. at or near existing nuclear facilities, on government or utility property, at multiple locations to spread the political burden; (4) timing: e.g. decoupling drilling activities from ultimate repository site decision, deliberate deferral to (long-range) future; (5) education: e.g. creation of special government programmes, enlisting of media support

  17. Application of the Transtheoretical Model to Exercise Behavior and Physical Activity in Patients after Open Heart Surgery.

    Science.gov (United States)

    Huang, Hsin-Yi; Lin, Yu-Shan; Chuang, Yi-Cheng; Lin, Wei-Hsuan; Kuo, Li Ying; Chen, Jui Chun; Hsu, Ching Ling; Chen, Bo Yan; Tsai, Hui Yu; Cheng, Fei Hsin; Tsai, Mei-Wun

    2015-05-01

    To assess exercise behavior and physical activity levels after open heart surgery. This prospective cohort study included 130 patients (70.8% male, aged 61.0 ± 12.2 years, 53.8% coronary bypass grafting) who underwent open heart surgery. The exercise behavior and physical activity of these patients were assessed at the 3- and 6-month follow-up appointments. Additional interviews were also conducted to further assess exercise behavior. Physical activity duration and metabolic equivalents were calculated from self-reported questionnaire responses. Moreover, possible related demographic factors, clinical features, participation in cardiac rehabilitation programs, and physical activity levels were additionally evaluated. Six months after hospital discharge, most patients were in the action (39.2%) and maintenance (37.7%) stages. Other subjects were in the precontemplation (11.5%), contemplation (5.4%), and preparation (6.2%) stages. The average physical activity level was 332.6 ± 377.1 min/week and 1198.1 ± 1396.9 KJ/week. Subjects in the action and maintenance stages exercised an average of 399.4 ± 397.6 min/week, significantly longer than those in other stages (116.2 ± 176.2 min/week, p = 0.02). Subjects that participated in outpatient cardiac rehabilitation programs after discharge may have the better exercise habit. Gender had no significant effect on exercise behavior 6 months after hospital discharge. Most subjects following open heart surgery may maintain regular exercise behavior at 6 months after hospital discharge. Physical activity levels sufficient for cardiac health were achieved by subjects in the active and maintenance stages. Outpatient cardiac rehabilitation programs are valuable for encouraging exercise behavior after heart surgery. Exercise behavior; Open heart surgery; Physical activity; Transtheoretical model.

  18. THE ACTIVITIES OF THE NATIONAL BANK OF UKRAINE ON THE OPEN MARKET: OPERATION WITH CERTIFICATES OF DEPOSITS

    OpenAIRE

    Yuliia Harkusha

    2016-01-01

    In the article investigated the activities of the National Bank of Ukraine on the open market. The analysis of operations of the National Bank of Ukraine banks to raise funds placing deposit certificates. Defined impact operations of the central bank's own debt securities to trading volumes deposit certificates of the National Bank of Ukraine on the stock market and the credit activity of banks. Identified problems interest rate policy and the ways to overcome them. Key words: National Bank o...

  19. Radiological audit of remedial action activities at the processing site, transfer site, and Cheney disposal site Grand Junction, Colorado: Audit date, August 9--11, 1993

    International Nuclear Information System (INIS)

    1993-08-01

    The Uranium Mill Tailing Remedial Action (UMTRA) Project's Technical Assistance Contractor (TAC) performed a radiological audit of the Remedial Action Contractor (RAC), MK-Ferguson and CWM Federal Environmental Services, Inc., at the processing site, transfer site, and Cheney disposal site in Grand Junction, Colorado. Jim Hylko and Bill James of the TAC conducted this audit August 9 through 11, 1993. Bob Cornish and Frank Bosiljevec represented the US Department of Energy (DOE). This report presents one programmatic finding, eleven site-specific observations, one good practice, and four programmatic observations

  20. Evaluating the use of antibiotic prophylaxis during open reduction and internal fixation surgery in patients at low risk of surgical site infection.

    Science.gov (United States)

    Xu, Sheng-Gen; Mao, Zhao-Guang; Liu, Bin-Sheng; Zhu, Hui-Hua; Pan, Hui-Lin

    2015-02-01

    Widespread overuse and inappropriate use of antibiotics contribute to increasingly antibiotic-resistant pathogens and higher health care costs. It is not clear whether routine antibiotic prophylaxis can reduce the rate of surgical site infection (SSI) in low-risk patients undergoing orthopaedic surgery. We designed a simple scorecard to grade SSI risk factors and determined whether routine antibiotic prophylaxis affects SSI occurrence during open reduction and internal fixation (ORIF) orthopaedic surgeries in trauma patients at low risk of developing SSI. The SSI risk scorecard (possible total points ranged from 5 to 25) was designed to take into account a patient's general health status, the primary cause of fractures, surgical site tissue condition or wound class, types of devices implanted, and surgical duration. Patients with a low SSI risk score (≤8 points) who were undergoing clean ORIF surgery were divided into control (routine antibiotic treatment, cefuroxime) and evaluation (no antibiotic treatment) groups and followed up for 13-17 months after surgery. The infection rate was much higher in patients with high SSI risk scores (≥9 points) than in patients with low risk scores assigned to the control group (10.7% vs. 2.2%, Prisk score. Implementation of this scoring system could guide the rational use of perioperative antibiotics and ultimately reduce antibiotic resistance, health care costs, and adverse reactions to antibiotics. Copyright © 2014 Elsevier Ltd. All rights reserved.

  1. Differential regulation of the transcriptional activity of the glucocorticoid receptor through site-specific phosphorylation

    Directory of Open Access Journals (Sweden)

    Raj Kumar

    2008-08-01

    Full Text Available Raj Kumar1, William J Calhoun21Division of Gastroenterology; 2Division of Allergy, Pulmonary, Immunology, Critical Care, and Sleep (APICS, Department of Internal Medicine, University of Texas Medical Branch, Galveston, TX, USAAbstract: Post-translational modifications such as phosphorylation are known to play an important role in the gene regulation by the transcription factors including the nuclear hormone receptor superfamily of which the glucocorticoid receptor (GR is a member. Protein phosphorylation often switches cellular activity from one state to another. Like many other transcription factors, the GR is a phosphoprotein, and phosphorylation plays an important role in the regulation of GR activity. Cell signaling pathways that regulate phosphorylation of the GR and its associated proteins are important determinants of GR function under various physiological conditions. While the role of many phosphorylation sites in the GR is still not fully understood, the role of others is clearer. Several aspects of transcription factor function, including DNA binding affinity, interaction of transactivation domains with the transcription initiation complex, and shuttling between the cytoplasmic compartments, have all been linked to site-specific phosphorylation. All major phosphorylation sites in the human GR are located in the N-terminal domain including the major transactivation domain, AF1. Available literature clearly indicates that many of these potential phosphorylation sites are substrates for multiple kinases, suggesting the potential for a very complex regulatory network. Phosphorylated GR interacts favorably with critical coregulatory proteins and subsequently enhances transcriptional activity. In addition, the activities and specificities of coregulators may be subject to similar regulation by phosphorylation. Regulation of the GR activity due to phosphorylation appears to be site-specific and dependent upon specific cell signaling cascade

  2. Human glutaminyl cyclase and bacterial zinc aminopeptidase share a common fold and active site

    Directory of Open Access Journals (Sweden)

    Misquitta Stephanie A

    2004-02-01

    Full Text Available Abstract Background Glutaminyl cyclase (QC forms the pyroglutamyl residue at the amino terminus of numerous secretory peptides and proteins. We previously proposed the mammalian QC has some features in common with zinc aminopeptidases. We now have generated a structural model for human QC based on the aminopeptidase fold (pdb code 1AMP and mutated the apparent active site residues to assess their role in QC catalysis. Results The structural model proposed here for human QC, deposited in the protein databank as 1MOI, is supported by a variety of fold prediction programs, by the circular dichroism spectrum, and by the presence of the disulfide. Mutagenesis of the six active site residues present in both 1AMP and QC reveal essential roles for the two histidines (140 and 330, QC numbering and the two glutamates (201 and 202, while the two aspartates (159 and 248 appear to play no catalytic role. ICP-MS analysis shows less than stoichiometric zinc (0.3:1 in the purified enzyme. Conclusions We conclude that human pituitary glutaminyl cyclase and bacterial zinc aminopeptidase share a common fold and active site residues. In contrast to the aminopeptidase, however, QC does not appear to require zinc for enzymatic activity.

  3. Synthesis and characterization of 18F-labeled active site inhibited factor VII (ASIS)

    DEFF Research Database (Denmark)

    Erlandsson, Maria; Nielsen, Carsten Haagen; Jeppesen, Troels Elmer

    2015-01-01

    Activated factor VII blocked in the active site with Phe-Phe-Arg-chloromethyl ketone (active site inhibited factor VII (ASIS)) is a 50-kDa protein that binds with high affinity to its receptor, tissue factor (TF). TF is a transmembrane glycoprotein that plays an important role in, for example......, thrombosis, metastasis, tumor growth, and tumor angiogenesis. The aim of this study was to develop an 18F-labeled ASIS derivative to assess TF expression in tumors. Active site inhibited factor VII was labeled using N-succinimidyl-4-[18F]fluorobenzoate, and the [18F]ASIS was purified on a PD-10 desalting...... column. The radiochemical yield was 25 ± 6%, the radiochemical purity was >97%, and the pseudospecific radioactivity was 35 ± 9 GBq/µmol. The binding efficacy was evaluated in pull-down experiments, which monitored the binding of unlabeled ASIS and [18F]ASIS to TF and to a specific anti-factor VII...

  4. RCRA and CERCLA requirements affecting cleanup activities at a federal facility superfund site

    International Nuclear Information System (INIS)

    Walsh, T.J.

    1994-01-01

    The Fernald Environmental Management Project (FEMP) achieved success on an integrated groundwater monitoring program which addressed both RCRA and CERCLA requirements. The integrated plan resulted in a cost savings of approximately $2.6 million. At present, the FEMP is also working on an integrated closure process to address Hazardous Waste Management Units (HWMUs) at the site. To date, Ohio EPA seems willing to discuss an integrated program with some stipulations. If an integrated program is implemented, a cost savings of several million dollars will be realized since the CERCLA documents can be used in place of a RCRA closure plan. The success of an integrated program at the FEMP is impossible without the support of DOE and the regulators. Since DOE is an owner/operator of the facility and Ohio EPA regulates hazardous waste management activities at the FEMP, both parties must be satisfied with the proposed integration activities. Similarly, US EPA retains CERCLA authority over the site along with a signed consent agreement with DOE, which dictates the schedule of the CERCLA activities. Another federal facility used RCRA closure plans to satisfy CERCLA activities. This federal facility was in a different US EPA Region than the FEMP. While this approach was successful for this site, an integrated approach was required at the FEMP because of the signed Consent Agreement and Consent Decree. For federal facilities which have a large number of HWMUs along with OUs, an integrated approach may result in a timely and cost-effective cleanup

  5. Progress report on decommissioning activities at the Fernald Environmental Management Project (FEMP) site

    International Nuclear Information System (INIS)

    1998-01-01

    The Fernald Environmental Management Project (FEMP), is located about 18 miles northwest of Cincinnati, Ohio. Between 1953 and 1989, the facility, then called the Feed Material Production Center or FMPC, produced uranium metal products used in the eventual production of weapons grade material for use by other US Department of Energy (DOE) sites. In 1989, FMPC's production was suspended by the federal government in order to focus resources on environmental restoration versus defense production. In 1992, Fluor Daniel Fernald assumed responsibility for managing all cleanup activities at the FEMP under contract to the DOE. In 1990, as part of the remediation effort, the site was divided into five operable units based on physical proximity of contaminated areas, similar amounts of types of contamination, or the potential for a similar technology to be used in cleanup activities. This report continues the outline of the decontamination and decommissioning (D and D) activities at the FEMP site Operable Unit 3 (OU3) and provides an update on the status of the decommissioning activities. OU3, the Facilities Closure and Demolition Project, involves the remediation of more than 200 uranium processing facilities. The mission of the project is to remove nuclear materials stored in these buildings, then perform the clean out of the buildings and equipment, and decontaminate and dismantle the facilities

  6. Decommissioning an Active Historical Reactor Facility at the Savannah River Site - 13453

    Energy Technology Data Exchange (ETDEWEB)

    Bergren, Christopher L.; Long, J. Tony; Blankenship, John K. [Savannah River Nuclear Solutions, LLC, Bldg. 730-4B, Aiken, SC 29808 (United States); Adams, Karen M. [United States Department of Energy, Bldg. 730-B, Aiken, SC 29808 (United States)

    2013-07-01

    The Savannah River Site (SRS) is an 802 square-kilometer United States Department of Energy (US DOE) nuclear facility located along the Savannah River near Aiken, South Carolina, where Management and Operations are performed by Savannah River Nuclear Solutions (SRNS). In 2004, DOE recognized SRS as structure within the Cold War Historic District of national, state and local significance composed of the first generation of facilities constructed and operated from 1950 through 1989 to produce plutonium and tritium for our nation's defense. DOE agreed to manage the SRS 105-C Reactor Facility as a potentially historic property due to its significance in supporting the U.S. Cold War Mission and for potential for future interpretation. This reactor has five primary areas within it, including a Disassembly Basin (DB) that received irradiated materials from the reactor, cooled them and prepared the components for loading and transport to a Separation Canyon for processing. The 6,317 square meter area was divided into numerous work/storage areas. The walls between the individual basin compartments have narrow vertical openings called 'slots' that permit the transfer of material from one section to another. Data indicated there was over 830 curies of radioactivity associated with the basin sediments and approximately 9.1 M liters of contaminated water, not including a large quantity of activated reactor equipment, scrap metal, and debris on the basin floor. The need for an action was identified in 2010 to reduce risks to personnel in the facility and to eliminate the possible release of contaminants into the environment. The release of DB water could potentially migrate to the aquifer and contaminate groundwater. DOE, its regulators [U. S. Environmental Protection Agency (USEPA)-Region 4 and the South Carolina Department of Health and Environmental Control (SCDHEC)] and the SC Historical Preservation Office (SHPO) agreed/concurred to perform a non

  7. Decommissioning an Active Historical Reactor Facility at the Savannah River Site - 13453

    International Nuclear Information System (INIS)

    Bergren, Christopher L.; Long, J. Tony; Blankenship, John K.; Adams, Karen M.

    2013-01-01

    The Savannah River Site (SRS) is an 802 square-kilometer United States Department of Energy (US DOE) nuclear facility located along the Savannah River near Aiken, South Carolina, where Management and Operations are performed by Savannah River Nuclear Solutions (SRNS). In 2004, DOE recognized SRS as structure within the Cold War Historic District of national, state and local significance composed of the first generation of facilities constructed and operated from 1950 through 1989 to produce plutonium and tritium for our nation's defense. DOE agreed to manage the SRS 105-C Reactor Facility as a potentially historic property due to its significance in supporting the U.S. Cold War Mission and for potential for future interpretation. This reactor has five primary areas within it, including a Disassembly Basin (DB) that received irradiated materials from the reactor, cooled them and prepared the components for loading and transport to a Separation Canyon for processing. The 6,317 square meter area was divided into numerous work/storage areas. The walls between the individual basin compartments have narrow vertical openings called 'slots' that permit the transfer of material from one section to another. Data indicated there was over 830 curies of radioactivity associated with the basin sediments and approximately 9.1 M liters of contaminated water, not including a large quantity of activated reactor equipment, scrap metal, and debris on the basin floor. The need for an action was identified in 2010 to reduce risks to personnel in the facility and to eliminate the possible release of contaminants into the environment. The release of DB water could potentially migrate to the aquifer and contaminate groundwater. DOE, its regulators [U. S. Environmental Protection Agency (USEPA)-Region 4 and the South Carolina Department of Health and Environmental Control (SCDHEC)] and the SC Historical Preservation Office (SHPO) agreed/concurred to perform a non-time critical removal

  8. Geologic Maps and Cross Sections of the Tuba City Open Dump Site and Vicinity, With Implications for the Occurrence and Flow of Ground Water

    Science.gov (United States)

    Otton, James K.; Johnson, Ray H.; Horton, Robert J.

    2008-01-01

    This report is designed to make available to interested parties geologic and limited hydrologic and geochemical information about the Tuba City Open Dump (TCOD) site. This information has been gathered during studies of the site from January to September 2008. Mapping by the authors and construction of cross sections show that a section of gently northeast-dipping Jurassic sedimentary rocks underlies the TCOD and vicinity. Low mesas in the area are capped by variably cemented gravels and siliceous limestones. Surficial sediments are composed of eolian sand and fluvially reworked eolian sand that overlie bedrock underneath the TCOD. Nearby Pasture Canyon is underlain by fluvial and floodplain sediment consisting of sand and silt. Shallow ground water of the water-table aquifer at the TCOD moves westward through the surficial sediment and the underlying weathered bedrock to Pasture Canyon then southward along the canyon. A fracture zone extends up the wash that passes just to the north of the TCOD and brings deeper ground water of the N-aquifer to the water-table aquifer. Bedrock consists of the Jurassic Navajo Sandstone composed of thick sections of eolian crossbedded sandstone with lesser laterally discontinuous layers of silty sandstone, siltstone, and limestone. Below the Navajo Sandstone is a section informally known as the Kayenta Formation-Navajo Sandstone transition zone. It is composed of calcareous sandstone, silty sandstone, siltstone, and limestone beds that intertongue with crossbedded sandstone. The finer grained rocks in both major bedrock units form aquitards that limit downward movement of ground water. The water-table aquifer is perched on these aquitards, which locally occurs beneath the two open dumps that form the TCOD site. A monocline occupies the position of Pasture Canyon west of the TCOD. Fractures likely related to the monocline are exposed in several localities. Deep ground waters consist of dilute calcium-bicarbonate waters low in all

  9. Effect of methylprednisolone on the oxidative burst activity, adhesion molecules and clinical outcome following open heart surgery

    DEFF Research Database (Denmark)

    Toft, P; Christiansen, K; Tønnesen, Else Kirstine

    1997-01-01

    on granulocytes and improve clinical outcome. Sixteen patients undergoing open heart surgery participated in the study. Eight were randomized to receive methylprednisolone (30 mg/kg intravenously) at the start of anaesthesia while eight patients served as a control group. The oxidative burst was measured flow...... not improve the weaning from the ventilator or reduce the stay in the intensive-care unit. In conclusion, treatment with steroids prevented hyperthermia following open heart surgery with CPB and reduced capillary leak during ECC. Methylprednisolone, however, did not reduce the oxidative burst activity...

  10. Role of a cysteine residue in the active site of ERK and the MAPKK family

    International Nuclear Information System (INIS)

    Ohori, Makoto; Kinoshita, Takayoshi; Yoshimura, Seiji; Warizaya, Masaichi; Nakajima, Hidenori; Miyake, Hiroshi

    2007-01-01

    Kinases of mitogen-activated protein kinase (MAPK) cascades, including extracellular signal-regulated protein kinase (ERK), represent likely targets for pharmacological intervention in proliferative diseases. Here, we report that FR148083 inhibits ERK2 enzyme activity and TGFβ-induced AP-1-dependent luciferase expression with respective IC 50 values of 0.08 and 0.05 μM. FR265083 (1'-2' dihydro form) and FR263574 (1'-2' and 7'-8' tetrahydro form) exhibited 5.5-fold less and no activity, respectively, indicating that both the α,β-unsaturated ketone and the conformation of the lactone ring contribute to this inhibitory activity. The X-ray crystal structure of the ERK2/FR148083 complex revealed that the compound binds to the ATP binding site of ERK2, involving a covalent bond to Sγ of ERK2 Cys166, hydrogen bonds with the backbone NH of Met108, Nζ of Lys114, backbone C=O of Ser153, Nδ2 of Asn154, and hydrophobic interactions with the side chains of Ile31, Val39, Ala52, and Leu156. The covalent bond motif in the ERK2/FR148083 complex assures that the inhibitor has high activity for ERK2 and no activity for other MAPKs such as JNK1 and p38MAPKα/β/γ/δ which have leucine residues at the site corresponding to Cys166 in ERK2. On the other hand, MEK1 and MKK7, kinases of the MAPKK family which also can be inhibited by FR148083, contain a cysteine residue corresponding to Cys166 of ERK2. The covalent binding to the common cysteine residue in the ATP-binding site is therefore likely to play a crucial role in the inhibitory activity for these MAP kinases. These findings on the molecular recognition mechanisms of FR148083 for kinases with Cys166 should provide a novel strategy for the pharmacological intervention of MAPK cascades

  11. Active Site Flexibility as a Hallmark for Efficient PET Degradation by I. sakaiensis PETase.

    Science.gov (United States)

    Fecker, Tobias; Galaz-Davison, Pablo; Engelberger, Felipe; Narui, Yoshie; Sotomayor, Marcos; Parra, Loreto P; Ramírez-Sarmiento, César A

    2018-03-27

    Polyethylene terephthalate (PET) is one of the most-consumed synthetic polymers, with an annual production of 50 million tons. Unfortunately, PET accumulates as waste and is highly resistant to biodegradation. Recently, fungal and bacterial thermophilic hydrolases were found to catalyze PET hydrolysis with optimal activities at high temperatures. Strikingly, an enzyme from Ideonella sakaiensis, termed PETase, was described to efficiently degrade PET at room temperature, but the molecular basis of its activity is not currently understood. Here, a crystal structure of PETase was determined at 2.02 Å resolution and employed in molecular dynamics simulations showing that the active site of PETase has higher flexibility at room temperature than its thermophilic counterparts. This flexibility is controlled by a novel disulfide bond in its active site, with its removal leading to destabilization of the catalytic triad and reduction of the hydrolase activity. Molecular docking of a model substrate predicts that PET binds to PETase in a unique and energetically favorable conformation facilitated by several residue substitutions within its active site when compared to other enzymes. These computational predictions are in excellent agreement with recent mutagenesis and PET film degradation analyses. Finally, we rationalize the increased catalytic activity of PETase at room temperature through molecular dynamics simulations of enzyme-ligand complexes for PETase and other thermophilic PET-degrading enzymes at 298, 323, and 353 K. Our results reveal that both the binding pose and residue substitutions within PETase favor proximity between the catalytic residues and the labile carbonyl of the substrate at room temperature, suggesting a more favorable hydrolytic reaction. These results are valuable for enabling detailed evolutionary analysis of PET-degrading enzymes and for rational design endeavors aiming at increasing the efficiency of PETase and similar enzymes toward plastic

  12. Active-site titration analysis of surface influence on immobilized Candida antarctica Lipase B activity

    Science.gov (United States)

    Matrix morphology and surface polarity effects were investigated for Candida antarctica lipase B immobilization. Measurements of the amount of lipase immobilized (bicinchoninic acid method) and the catalyst’s tributyrin hydrolysis activity, coupled with a determination of the lipase’s functional fr...

  13. Linde FUSRAP Site Remediation: Engineering Challenges and Solutions of Remedial Activities on an Active Industrial Facility - 13506

    International Nuclear Information System (INIS)

    Beres, Christopher M.; Fort, E. Joseph; Boyle, James D.

    2013-01-01

    The Linde FUSRAP Site (Linde) is located in Tonawanda, New York at a major research and development facility for Praxair, Inc. (Praxair). Successful remediation activities at Linde combines meeting cleanup objectives of radiological contamination while minimizing impacts to Praxair business operations. The unique use of Praxair's property coupled with an array of active and abandoned utilities poses many engineering and operational challenges; each of which has been overcome during the remedial action at Linde. The U.S. Army Corps of Engineers - Buffalo District (USACE) and CABRERA SERVICES, INC. (CABRERA) have successfully faced engineering challenges such as relocation of an aboveground structure, structural protection of an active water line, and installation of active mechanical, electrical, and communication utilities to perform remediation. As remediation nears completion, continued success of engineering challenges is critical as remaining activities exist in the vicinity of infrastructure essential to business operations; an electrical substation and duct bank providing power throughout the Praxair facility. Emphasis on engineering and operations through final remediation and into site restoration will allow for the safe and successful completion of the project. (authors)

  14. Linde FUSRAP Site Remediation: Engineering Challenges and Solutions of Remedial Activities on an Active Industrial Facility - 13506

    Energy Technology Data Exchange (ETDEWEB)

    Beres, Christopher M.; Fort, E. Joseph [Cabrera Services, Inc., 473 Silver Lane, East Hartford, CT 06118 (United States); Boyle, James D. [United States Army Corps of Engineers - Buffalo, 1776 Niagara Street, Buffalo, NY 14207 (United States)

    2013-07-01

    The Linde FUSRAP Site (Linde) is located in Tonawanda, New York at a major research and development facility for Praxair, Inc. (Praxair). Successful remediation activities at Linde combines meeting cleanup objectives of radiological contamination while minimizing impacts to Praxair business operations. The unique use of Praxair's property coupled with an array of active and abandoned utilities poses many engineering and operational challenges; each of which has been overcome during the remedial action at Linde. The U.S. Army Corps of Engineers - Buffalo District (USACE) and CABRERA SERVICES, INC. (CABRERA) have successfully faced engineering challenges such as relocation of an aboveground structure, structural protection of an active water line, and installation of active mechanical, electrical, and communication utilities to perform remediation. As remediation nears completion, continued success of engineering challenges is critical as remaining activities exist in the vicinity of infrastructure essential to business operations; an electrical substation and duct bank providing power throughout the Praxair facility. Emphasis on engineering and operations through final remediation and into site restoration will allow for the safe and successful completion of the project. (authors)

  15. Redox-active on-surface polymerization of single-site divalent cations from pure metals by a ketone-functionalized phenanthroline

    Energy Technology Data Exchange (ETDEWEB)

    Skomski, Daniel; Tempas, Christopher D.; Bukowski, Gregory S.; Smith, Kevin A.; Tait, Steven L., E-mail: tait@indiana.edu [Department of Chemistry, Indiana University, 800 E. Kirkwood Ave., Bloomington, Indiana 47405 (United States)

    2015-03-14

    Metallic iron, chromium, or platinum mixing with a ketone-functionalized phenanthroline ligand on a single crystal gold surface demonstrates redox activity to a well-defined oxidation state and assembly into thermally stable, one dimensional, polymeric chains. The diverging ligand geometry incorporates redox-active sub-units and bi-dentate binding sites. The gold surface provides a stable adsorption environment and directs growth of the polymeric chains, but is inert with regard to the redox chemistry. These systems are characterized by scanning tunnelling microscopy, non-contact atomic force microscopy, and X-ray photoelectron spectroscopy under ultra-high vacuum conditions. The relative propensity of the metals to interact with the ketone group is examined, and it is found that Fe and Cr more readily complex the ligand than Pt. The formation and stabilization of well-defined transition metal single-sites at surfaces may open new routes to achieve higher selectivity in heterogeneous catalysts.

  16. Large zinc cation occupancy of octahedral sites in mechanically activated zinc ferrite powders

    Energy Technology Data Exchange (ETDEWEB)

    Oliver, S. A. [Center for Electromagnetic Research, Northeastern University, Boston, Massachusetts 02115 (United States); Harris, V. G. [Complex Materials Section, Code 6342, Naval Research Laboratory, Washington, DC 20375 (United States); Hamdeh, H. H. [Department of Physics, Wichita State University, Wichita, Kansas 67260 (United States); Ho, J. C. [Department of Physics, Wichita State University, Wichita, Kansas 67260 (United States)

    2000-05-08

    The cation site occupancy of a mechanically activated nanocrystalline zinc ferrite powder was determined as (Zn{sub 0.55}{sup 2+}Fe{sub 0.18}{sup 3+}){sub tet}[Zr{sub 0.45}{sup 2+}Fe{sub 1.82}{sup 3+}]{sub oct}O{sub 4} through analysis of extended x-ray absorption fine structure measurements, showing a large redistribution of cations between sites compared to normal zinc ferrite samples. The overpopulation of cations in the octahedral sites was attributed to the ascendance in importance of the ionic radii over the crystal energy and bonding coordination in determining which interstitial sites are occupied in this structurally disordered powder. Slight changes are observed in the local atomic environment about the zinc cations, but not the iron cations, with respect to the spinel structure. The presence of Fe{sup 3+} on both sites is consistent with the measured room temperature magnetic properties. (c) 2000 American Institute of Physics.

  17. Anti-nuclear activities and critics concerning nuclear power plant sites

    International Nuclear Information System (INIS)

    Rhee, We-Beg

    2000-01-01

    Korea has dynamic nuclear power expansion programs, operating 16 nuclear units producing 13710 MW in total located on 4 different sites. Last year, nuclear power supplied over 40 % of national total electricity demands. In 1998, Korean government initiated re-designation work investigating circumstance changes to rule out the unnecessary sites in consideration of a long-term power supply. Korean government has determined to expand the Ulchin site and to designate one point of Woolju county as a new candidate site, and ruled out the rest candidate sites at the end of 1998. About such a governmental measure, the two areas show different reactions. Ulchin where nuclear power plant has been operated safely for about 10 years was likely to accept the governmental determination in spite of some opposition and called for several financial supports for local development. WooIju county, however, showed a strong opposition among local environmental groups and autonomous politicians, and they presented a variety of anti-nuclear activities including demonstrations mainly at the neighbouring metropolis, Ulsan city

  18. Soil pollution with trace elements at selected sites in Romania studied by instrumental neutron activation analysis

    International Nuclear Information System (INIS)

    Pantelica, A.; Carmo Freitas, M. do; Ene, A.; Steinnes, E.

    2013-01-01

    Instrumental neutron activation analysis (INAA) was used to determine concentrations of 42 elements in samples of surface soil collected at seven sites polluted from various anthropogenic activities and a control site in a relatively clean area. Elements studied were Ag, Al, As, Au, Ba, Br, Ca, Cd, Ce, Co, Cr, Cs, Eu, Fe, Gd, Hf, Hg, K, La, Lu, Mg, Mn, Mo, Na, Nd, Ni, Rb, Sb, Sc, Se, Sm, Sr, Ta, Tb, Th, Ti, U, V, W, Yb, Zn, and Zr. The results are compared with data for trace elements atmospheric deposition in lichen transplants from the same sites. The most severe soil contamination was observed at Copsa Mica from non-ferrous metallurgy. Appreciable soil contamination was also indicated at Baia Mare (non-ferrous mining and metallurgy), Deva (coal-fired power plant, cement and building materials industry), Galati (ferrous metallurgy), Magurele and Afumati (general urban pollution), and Oradea (chemical and light industries). In most cases excessive levels of toxic metals in soils matched correspondingly high values in lichen transplants. Compared to Romanian norms, legal upper limits were exceeded for Zn and Cd at Copsa Mica. Also, As and Sb occurred in excessive levels at given sites. (orig.)

  19. Soil pollution with trace elements at selected sites in Romania studied by instrumental neutron activation analysis

    Energy Technology Data Exchange (ETDEWEB)

    Pantelica, A. [Horia Hulubei National Institute for Physics and Nuclear Engineering (IFIN-HH), Magurele, Ilfov County (Romania); Carmo Freitas, M. do [Technological and Nuclear Institute (ITN), Sacavem (Portugal); Ene, A. [Dunarea de Jos Univ. of Galati (Romania). Dept. of Chemistry, Physics and Environment; Steinnes, E. [Norwegian Univ. of Science and Technology, Trondheim (Norway). Dept. of Chemistry

    2013-03-01

    Instrumental neutron activation analysis (INAA) was used to determine concentrations of 42 elements in samples of surface soil collected at seven sites polluted from various anthropogenic activities and a control site in a relatively clean area. Elements studied were Ag, Al, As, Au, Ba, Br, Ca, Cd, Ce, Co, Cr, Cs, Eu, Fe, Gd, Hf, Hg, K, La, Lu, Mg, Mn, Mo, Na, Nd, Ni, Rb, Sb, Sc, Se, Sm, Sr, Ta, Tb, Th, Ti, U, V, W, Yb, Zn, and Zr. The results are compared with data for trace elements atmospheric deposition in lichen transplants from the same sites. The most severe soil contamination was observed at Copsa Mica from non-ferrous metallurgy. Appreciable soil contamination was also indicated at Baia Mare (non-ferrous mining and metallurgy), Deva (coal-fired power plant, cement and building materials industry), Galati (ferrous metallurgy), Magurele and Afumati (general urban pollution), and Oradea (chemical and light industries). In most cases excessive levels of toxic metals in soils matched correspondingly high values in lichen transplants. Compared to Romanian norms, legal upper limits were exceeded for Zn and Cd at Copsa Mica. Also, As and Sb occurred in excessive levels at given sites. (orig.)

  20. Den site activity patterns of adult male and female swift foxes, Vulpes velox, in Northwestern Texas

    Science.gov (United States)

    Lemons, P.R.; Ballard, W.B.; Sullivan, R.M.; Sovada, M.A.

    2003-01-01

    Activity of Swift Foxes (Vulpes velox) at den sites was studied in northwestern Texas during pup rearing seasons in 2000 and 2001 to determine role of males in parental care. Twenty-four percent of radio-collared females with a potential to breed successfully raised pups to eight weeks of age. We intensively monitored presence and absence of male and female Swift Foxes at two den sites each year. Females were present >2.6 times more at den sites than males during the pup rearing season. Female and male Swift Foxes largely stayed at dens during diurnal hours and were active away from dens during nocturnal and crepuscular hours. Females and males spent 12.4% and 3.0% more time at dens before pups emerged, than after pups emerged, respectively. Following depredation of one male parent, the female spent 29% less time at the den site. Decrease in time spent at the den by the female following loss of her mate suggested that loss of one parent might severely impact recruitment of Swift Foxes. Our observations indicated that intense Coyote (Canis latrans) depredation may severely impact pup-rearing success as well as the parental care within Swift Fox family groups.

  1. Improving the activity of the subtilisin nattokinase by site-directed mutagenesis and molecular dynamics simulation.

    Science.gov (United States)

    Weng, Meizhi; Deng, Xiongwei; Bao, Wei; Zhu, Li; Wu, Jieyuan; Cai, Yongjun; Jia, Yan; Zheng, Zhongliang; Zou, Guolin

    2015-09-25

    Nattokinase (NK), a bacterial serine protease from Bacillus subtilis var. natto, is a potential cardiovascular drug exhibiting strong fibrinolytic activity. To broaden its commercial and medical applications, we constructed a single-mutant (I31L) and two double-mutants (M222A/I31L and T220S/I31L) by site-directed mutagenesis. Active enzymes were expressed in Escherichia coli with periplasmic secretion and were purified to homogeneity. The kinetic parameters of enzymes were examined by spectroscopy assay and isothermal titration calorimetry (ITC), and their fibrinolytic activities were determined by fibrin plate method. The substitution of Leu(31) for Ile(31) resulted in about 2-fold enhancement of catalytic efficiency (Kcat/KM) compared with wild-type NK. The specific activities of both double-mutants (M222A/I31L and T220S/I31L) were significantly increased when compared with the single-mutants (M222A and T220S) and the oxidative stability of M222A/I31L mutant was enhanced with respect to wild-type NK. This study demonstrates the feasibility of improving activity of NK by site-directed mutagenesis and shows successful protein engineering cases to improve the activity of NK as a potent therapeutic agent. Copyright © 2015 Elsevier Inc. All rights reserved.

  2. Effect of methylprednisolone on the oxidative burst activity, adhesion molecules and clinical outcome following open heart surgery

    DEFF Research Database (Denmark)

    Toft, P; Christiansen, K; Tønnesen, Else Kirstine

    1997-01-01

    Following cardiac surgery with cardiopulmonary bypass (CPB), activated granulocytes may be involved with ischaemia/ reperfusion injury. The purpose of this study was to investigate whether steroids could reduce the oxidative burst activity of granulocytes, the expression of adhesion molecules...... on granulocytes and improve clinical outcome. Sixteen patients undergoing open heart surgery participated in the study. Eight were randomized to receive methylprednisolone (30 mg/kg intravenously) at the start of anaesthesia while eight patients served as a control group. The oxidative burst was measured flow...... not improve the weaning from the ventilator or reduce the stay in the intensive-care unit. In conclusion, treatment with steroids prevented hyperthermia following open heart surgery with CPB and reduced capillary leak during ECC. Methylprednisolone, however, did not reduce the oxidative burst activity...

  3. Use of the Multi-Agency Radiological Laboratory Analytical Protocols Manual (MARLAP) for site cleanup activities

    International Nuclear Information System (INIS)

    Griggs, J.

    1999-01-01

    MARLAP is being developed as a multi-agency guidance manual for project managers and radioanalytical laboratories. The document uses a performance based approach and will provide guidance and a framework to assure that laboratory radioanalytical data meets the specific project or program needs and requirements. MARLAP supports a wide range of data collection activities including site characterization and compliance demonstration activities. Current participants include: US Environmental Protection Agency (EPA), US Department of Energy (DOE), US Nuclear Regulatory Commission (NRC), US Department of Defense (DoD), US National Institutes of Standards and Technology (NIST), US Geologic Survey (USGS), US Food and Drug Administration (FDA), Commonwealth of Kentucky, and the State of California. MARLAP is the radioanalytical laboratory counterpart to the Multi-Agency Radiological Survey and Site Investigation Manual (MARSSIM). MARLAP is currently in a preliminary draft stage. (author)

  4. Twinning in fcc lattice creates low-coordinated catalytically active sites in porous gold

    Energy Technology Data Exchange (ETDEWEB)

    Krajčí, Marian [Institute of Physics, Slovak Academy of Sciences, Dúbravská cesta 9, SK-84511 Bratislava (Slovakia); Kameoka, Satoshi; Tsai, An-Pang [Institute of Multidisciplinary Research for Advanced Materials, Tohoku University, Sendai 980-8577 (Japan)

    2016-08-28

    We describe a new mechanism for creation of catalytically active sites in porous gold. Samples of porous gold prepared by de-alloying Al{sub 2}Au exhibit a clear correlation between the catalytic reactivity towards CO oxidation and structural defects in the fcc lattice of Au. We have found that on the stepped (211) surfaces quite common twin boundary defects in the bulk structure of porous gold can form long close-packed rows of atoms with the coordination number CN = 6. DFT calculations confirm that on these low-coordinated Au sites dioxygen chemisorbs and CO oxidation can proceed via the Langmuir–Hinshelwood mechanism with the activation energy of 37 kJ/mol or via the CO–OO intermediate with the energy barrier of 19 kJ/mol. The existence of the twins in porous gold is stabilized by the surface energy.

  5. Visualization of the Differential Transition State Stabilization within the Active Site Environment

    Directory of Open Access Journals (Sweden)

    Jerzy Leszczynski

    2004-05-01

    Full Text Available Abstract: Increasing interest in the enzymatic reaction mechanisms and in the nature of catalytic effects in enzymes causes the need of appropriate visualization methods. A new interactive method to investigate catalytic effects using differential transition state stabilization approach (DTSS [1, 2] is presented. The catalytic properties of the active site of cytidine deaminase (E.C. 3.5.4.5 is visualized in the form of differential electrostatic properties. The visualization was implemented using scripting interface of VMD [3]. Cumulative Atomic Multipole Moments (CAMM [4,5,6] were utilized for efficient yet accurate evaluation of the electrostatic properties. The implementation is efficient enough for interactive presentation of catalytic effects in the active site of the enzyme due to transition state or substrate movement. This system of visualization of DTTS approach can be potentially used to validate hypotheses regarding the catalytic mechanism or to study binding properties of transition state analogues.

  6. {sup 13}C-Methyl isocyanide as an NMR probe for cytochrome P450 active sites

    Energy Technology Data Exchange (ETDEWEB)

    McCullough, Christopher R.; Pullela, Phani Kumar [Marquette University, Chemical Proteomics Facility at Marquette, Department of Chemistry (United States); Im, Sang-Choul; Waskell, Lucy [University of Michigan and VA Medical Center, Department of Anesthesiology (United States); Sem, Daniel S. [Marquette University, Chemical Proteomics Facility at Marquette, Department of Chemistry (United States)], E-mail: Daniel.sem@marquette.edu

    2009-03-15

    The cytochromes P450 (CYPs) play a central role in many biologically important oxidation reactions, including the metabolism of drugs and other xenobiotic compounds. Because they are often assayed as both drug targets and anti-targets, any tools that provide: (a) confirmation of active site binding and (b) structural data, would be of great utility, especially if data could be obtained in reasonably high throughput. To this end, we have developed an analog of the promiscuous heme ligand, cyanide, with a {sup 13}CH{sub 3}-reporter attached. This {sup 13}C-methyl isocyanide ligand binds to bacterial (P450cam) and membrane-bound mammalian (CYP2B4) CYPs. It can be used in a rapid 1D experiment to identify binders, and provides a qualitative measure of structural changes in the active site.

  7. Interaction of mining activities and aquatic environment: A review from Greek mine sites.

    Science.gov (United States)

    Vasileiou, Eleni; Kallioras, Andreas

    2016-04-01

    In Greece a significant amount of mineral and ore deposits have been recorded accompanied by large industrial interest and a long mining history. Today many active and/or abandoned mine sites are scattered within the country; while mining activities take place in different sites for exploiting various deposits (clay, limestone, slate, gypsum, kaolin, mixed sulphide ores (lead, zinc, olivine, pozzolan, quartz lignite, nickel, magnesite, aluminum, bauxite, gold, marbles etc). The most prominent recent ones are: (i) the lignite exploitation that is extended in the area of Ptolemais (Western Macedonia) and Megalopolis (Central Peloponnese); and (ii) the major bauxite deposits located in central Greece within the Parnassos-Ghiona geotectonic zone and on Euboea Island. In the latter area, significant ores of magnesite were exploited and mixed sulphide ores. Centuries of intensive mining exploitation and metallurgical treatment of lead-silver deposits in Greece, have also resulted in significant abandoned sites, such as the one in Lavrion. Mining activities in Lavrio, were initiated in ancient times and continued until the 1980s, resulting in the production of significant waste stockpiles deposited in the area, crucial for the local water resources. Ιn many mining sites, environmental pressures are also recorded after the mine closure to the aquatic environment, as the surface waters flow through waste dump areas and contaminated soils. This paper aims to the geospatial visualization of the mining activities in Greece, in connection to their negative (surface- and/or ground-water pollution; overpumping due to extensive dewatering practices) or positive (enhanced groundwater recharge; pit lakes, improvement of water budget in the catchment scale) impacts on local water resources.

  8. Generation of 3D templates of active sites of proteins with rigid prosthetic groups

    OpenAIRE

    Nebel, Jean-Christophe

    2006-01-01

    MOTIVATION: With the increasing availability of protein structures, the generation of biologically meaningful 3D patterns from the simultaneous alignment of several protein structures is an exciting prospect: active sites could be better understood, protein functions and protein 3D structures could be predicted more accurately. Although patterns can already be generated at the fold and topological levels, no system produces high-resolution 3D patterns including atom and cavity positions. To a...

  9. Disposal Activities and the Unique Waste Streams at the Nevada National Security Site (NNSS)

    International Nuclear Information System (INIS)

    Arnold, P.

    2012-01-01

    This slide show documents waste disposal at the Nevada National Security Site. Topics covered include: radionuclide requirements for waste disposal; approved performance assessment (PA) for depleted uranium disposal; requirements; program approval; the Waste Acceptance Review Panel (WARP); description of the Radioactive Waste Acceptance Program (RWAP); facility evaluation; recent program accomplishments, nuclear facility safety changes; higher-activity waste stream disposal; and, large volume bulk waste streams

  10. Comment on "Active sites for CO2 hydrogenation to methanol on Cu/ZnO catalysts"

    DEFF Research Database (Denmark)

    Nakamura, Junji; Fujitani, Tadahiro; Kuld, Sebastian

    2017-01-01

    Kattel et al (Reports, 24 March 2017, p. 1296) report that a zinc on copper (Zn/Cu) surface undergoes oxidation to zinc oxide/copper (ZnO/Cu) during carbon dioxide (CO2) hydrogenation to methanol and conclude that the Cu-ZnO interface is the active site for methanol synthesis. Similar experiments...... conducted two decades ago by Fujitani and Nakamura et al demonstrated that Zn is attached to formate rather than being fully oxidized....

  11. Geological status of NWTS repository siting activities in the paradox basin

    International Nuclear Information System (INIS)

    Frazier, N.A.; Conwell, F.R.

    1981-01-01

    Emplacement of waste packages in mined geological repositories is one method being evaluated for isolating high-level nuclear wastes. Granite, dome salt, tuff, basalt and bedded salt are among the rock types being investigated. Described in this paper is the status of geological activities in the Paradox Basin of Utah and Colorado, one region being explored as a part of the National Waste Terminal Storage (NWTS) program to site a geological repository in bedded salt

  12. Characterization of active-site residues of the NIa protease from tobacco vein mottling virus.

    Science.gov (United States)

    Hwang, D C; Kim, D H; Lee, J S; Kang, B H; Han, J; Kim, W; Song, B D; Choi, K Y

    2000-10-31

    Nuclear inclusion a (NIa) protease of tobacco vein mottling virus is responsible for the processing of the viral polyprotein into functional proteins. In order to identify the active-site residues of the TVMV NIa protease, the putative active-site residues, His-46, Asp-81 and Cys-151, were mutated individually to generate H46R, H46A, D81E, D81N, C151S, and C151A, and their mutational effects on the proteolytic activities were examined. Proteolytic activity was completely abolished by the mutations of H46R, H46A, D81N, and C151A, suggesting that the three residues are crucial for catalysis. The mutation of D81E decreased kcat marginally by about 4.7-fold and increased Km by about 8-fold, suggesting that the aspartic acid at position 81 is important for substrate binding but can be substituted by glutamate without any significant decrease in catalysis. The replacement of Cys-151 by Ser to mimic the catalytic triad of chymotrypsin-like serine protease resulted in the drastic decrease in kcat by about 1,260-fold. This result might be due to the difference of the active-site geometry between the NIa protease and chymotrypsin. The protease exhibited a bell-shaped pH-dependent profile with a maximum activity approximately at pH 8.3 and with the abrupt changes at the respective pKa values of approximately 6.6 and 9.2, implying the involvement of a histidine residue in catalysis. Taken together, these results demonstrate that the three residues, His-46, Asp-81, and Cys-151, play a crucial role in catalysis of the TVMV NIa protease.

  13. Discovery and Characterization of Non-ATP Site Inhibitors of the Mitogen Activated Protein (MAP) Kinases

    Energy Technology Data Exchange (ETDEWEB)

    Comess, Kenneth M.; Sun, Chaohong; Abad-Zapatero, Cele; Goedken, Eric R.; Gum, Rebecca J.; Borhani, David W.; Argiriadi, Maria; Groebe, Duncan R.; Jia, Yong; Clampit, Jill E.; Haasch, Deanna L.; Smith, Harriet T.; Wang, Sanyi; Song, Danying; Coen, Michael L.; Cloutier, Timothy E.; Tang, Hua; Cheng, Xueheng; Quinn, Christopher; Liu, Bo; Xin, Zhili; Liu, Gang; Fry, Elizabeth H.; Stoll, Vincent; Ng, Teresa I.; Banach, David; Marcotte, Doug; Burns, David J.; Calderwood, David J.; Hajduk, Philip J. (Abbott)

    2012-03-02

    Inhibition of protein kinases has validated therapeutic utility for cancer, with at least seven kinase inhibitor drugs on the market. Protein kinase inhibition also has significant potential for a variety of other diseases, including diabetes, pain, cognition, and chronic inflammatory and immunologic diseases. However, as the vast majority of current approaches to kinase inhibition target the highly conserved ATP-binding site, the use of kinase inhibitors in treating nononcology diseases may require great selectivity for the target kinase. As protein kinases are signal transducers that are involved in binding to a variety of other proteins, targeting alternative, less conserved sites on the protein may provide an avenue for greater selectivity. Here we report an affinity-based, high-throughput screening technique that allows nonbiased interrogation of small molecule libraries for binding to all exposed sites on a protein surface. This approach was used to screen both the c-Jun N-terminal protein kinase Jnk-1 (involved in insulin signaling) and p38{alpha} (involved in the formation of TNF{alpha} and other cytokines). In addition to canonical ATP-site ligands, compounds were identified that bind to novel allosteric sites. The nature, biological relevance, and mode of binding of these ligands were extensively characterized using two-dimensional {sup 1}H/{sup 13}C NMR spectroscopy, protein X-ray crystallography, surface plasmon resonance, and direct enzymatic activity and activation cascade assays. Jnk-1 and p38{alpha} both belong to the MAP kinase family, and the allosteric ligands for both targets bind similarly on a ledge of the protein surface exposed by the MAP insertion present in the CMGC family of protein kinases and distant from the active site. Medicinal chemistry studies resulted in an improved Jnk-1 ligand able to increase adiponectin secretion in human adipocytes and increase insulin-induced protein kinase PKB phosphorylation in human hepatocytes, in

  14. Unveiling the water-associated conformational mobility in the active site of ascorbate peroxidase.

    Science.gov (United States)

    Chao, Wei-Chih; Lin, Li-Ju; Lu, Jyh-Feng; Wang, Jinn-Shyan; Lin, Tzu-Chieh; Chen, Yi-Han; Chen, Yi-Ting; Yang, Hsiao-Ching; Chou, Pi-Tai

    2018-03-01

    We carried out comprehensive spectroscopic studies of wild type and mutants of ascorbate peroxidase (APX) to gain understanding of the conformational mobility of the active site. In this approach, three unnatural tryptophans were applied to replace the distal tryptophan (W41) in an aim to probe polarity/water environment near the edge of the heme-containing active site. 7-azatryptophan ((7-aza)Trp) is sensitive to environment polarity, while 2,7-azatryptophan ((2,7-aza)Trp) and 2,6-diazatryptophan ((2,6-aza)Trp) undergo excited-state water-catalyzed double and triple proton transfer, respectively, and are sensitive to the water network. The combination of their absorption, emission bands and the associated relaxation dynamics of these fluorescence probes, together with the Soret-band difference absorption and resonance Raman spectroscopy, lead us to unveil the water associated conformational mobility in the active site of APX. The results are suggestive of the existence of equilibrium between two different environments surrounding W41 in APX, i.e., the water-rich and water-scant forms with distinct fluorescence relaxation. Our results thus demonstrate for the first time the power of integrating multiple sensors (7-aza)Trp, (2,7-aza)Trp and (2,6-aza)Trp in probing the water environment of a specifically targeted Trp in proteins. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. High throughput protease profiling comprehensively defines active site specificity for thrombin and ADAMTS13.

    Science.gov (United States)

    Kretz, Colin A; Tomberg, Kärt; Van Esbroeck, Alexander; Yee, Andrew; Ginsburg, David

    2018-02-12

    We have combined random 6 amino acid substrate phage display with high throughput sequencing to comprehensively define the active site specificity of the serine protease thrombin and the metalloprotease ADAMTS13. The substrate motif for thrombin was determined by >6,700 cleaved peptides, and was highly concordant with previous studies. In contrast, ADAMTS13 cleaved only 96 peptides (out of >10 7 sequences), with no apparent consensus motif. However, when the hexapeptide library was substituted into the P3-P3' interval of VWF73, an exosite-engaging substrate of ADAMTS13, 1670 unique peptides were cleaved. ADAMTS13 exhibited a general preference for aliphatic amino acids throughout the P3-P3' interval, except at P2 where Arg was tolerated. The cleaved peptides assembled into a motif dominated by P3 Leu, and bulky aliphatic residues at P1 and P1'. Overall, the P3-P2' amino acid sequence of von Willebrand Factor appears optimally evolved for ADAMTS13 recognition. These data confirm the critical role of exosite engagement for substrates to gain access to the active site of ADAMTS13, and define the substrate recognition motif for ADAMTS13. Combining substrate phage display with high throughput sequencing is a powerful approach for comprehensively defining the active site specificity of proteases.

  16. An assessment of KW Basin radionuclide activity when opening SNF canisters

    International Nuclear Information System (INIS)

    Bergmann, D.W.; Mollerus, F.J.; Wray, J.L.

    1995-01-01

    N Reactor spent fuel is being stored in sealed canisters in the KW Basin. Some of the canisters contain damaged fuel elements. There is the potential for release of Cs 137, Kr 85, H3, and other fission products and transuranics (TRUs) when canisters are opened. Canister opening is required to select and transfer fuel elements to the 300 Area for examination as part of the Spent Nuclear Fuel (SNF) Characterization program. This report estimates the amount of radionuclides that can be released from Mark II spent nuclear fuel (SNF) canisters in KW Basin when canisters are opened for SNF fuel sampling as part of the SNF Characterization Program. The report also assesses the dose consequences of the releases and steps that can be taken to reduce the impacts of these releases

  17. Evaluation of stiffness and plastic deformation of active ceramic self-ligating bracket clips after repetitive opening and closure movements.

    Science.gov (United States)

    Carneiro, Grace Kelly Martins; Roque, Juliano Alves; Segundo, Aguinaldo Silva Garcez; Suzuki, Hideo

    2015-01-01

    The aim of this study was to assess whether repetitive opening and closure of self-ligating bracket clips can cause plastic deformation of the clip. Three types of active/interactive ceramic self-ligating brackets (n = 20) were tested: In-Ovation C, Quicklear and WOW. A standardized controlled device performed 500 cycles of opening and closure movements of the bracket clip with proper instruments and techniques adapted as recommended by the manufacturer of each bracket type. Two tensile tests, one before and one after the repetitive cycles, were performed to assess the stiffness of the clips. To this end, a custom-made stainless steel 0.40 x 0.40 mm wire was inserted into the bracket slot and adapted to the universal testing machine (EMIC DL2000), after which measurements were recorded. On the loading portion of the loading-unloading curve of clips, the slope fitted a first-degree equation curve to determine the stiffness/deflection rate of the clip. The results of plastic deformation showed no significant difference among bracket types before and after the 500 cycles of opening and closure (p = 0.811). There were significant differences on stiffness among the three types of brackets (p = 0.005). The WOW bracket had higher mean values, whereas Quicklear bracket had lower values, regardless of the opening/closure cycle. Repetitive controlled opening and closure movements of the clip did not alter stiffness or cause plastic deformation.

  18. Days of dismantling activities of installations and rehabilitation of contaminated sites in France

    International Nuclear Information System (INIS)

    2008-01-01

    The objective of these days, organized by the section environment of the French society of radiation protection, is to present a panorama of the activities of nuclear installations dismantling and contaminated sites rehabilitation in France, by leaning in the same time on practical cases and by stating the French rule and the national and international recommendations on the subject. These days have also for object to approach the stakes associated with the sectors of waste management and the materials generated by these activities and in a more general way, the stakes to come for the different actors of the dismantling and the rehabilitation. (N.C.)

  19. Measurement of human tissue-type plasminogen activator by a two-site immunoradiometric assay

    International Nuclear Information System (INIS)

    Rijken, D.C.; Juhan-Vague, I.; De Cock, F.; Collen, D.

    1983-01-01

    A two-site immunoradiometric assay for human extrinsic (tissue-type) plasminogen activator was developed by using rabbit antibodies raised against plasminogen activator purified from human melanoma cell culture fluid. Samples of 100 μl containing 1 to 100 ng/ml plasminogen activator were incubated in the wells of polyvinyl chloride microtiter plates coated with antibody. The amount of bound extrinsic plasminogen activator was quantitated by the subsequent binding of 125 I-labeled affinospecific antibody. The mean level of plasma samples taken at rest was 6.6 +/- 2.9 ng/ml (n = 54). This level increased approximately threefold by exhaustive physical exercise, venous occlusion, or infusion of DDAVP. Extrinsic plasminogen activator in plasma is composed of a fibrin-adsorbable and active component (1.9 +/- 1.1 ng/ml, n = 54, in resting conditions) and an inactive component that does not bind to a fibrin clot (probably extrinsic plasminogen activator-proteinase inhibitor complexes). The fibrin-adsorbable fraction increased approximately fivefold to eightfold after physical exercise, venous occlusion, or DDAVP injections. Potential applications of the immunoradiometric assay are illustrated by the measurement of extrinsic plasminogen activator in different tissue extracts, body fluids, and cell culture fluids and in oocyte translation products after injection with mRNA for plasminogen activator

  20. Altering the spectrum of immunoglobulin V gene somatic hypermutation by modifying the active site of AID.

    Science.gov (United States)

    Wang, Meng; Rada, Cristina; Neuberger, Michael S

    2010-01-18

    High-affinity antibodies are generated by somatic hypermutation with nucleotide substitutions introduced into the IgV in a semirandom fashion, but with intrinsic mutational hotspots strategically located to optimize antibody affinity maturation. The process is dependent on activation-induced deaminase (AID), an enzyme that can deaminate deoxycytidine in DNA in vitro, where its activity is sensitive to the identity of the 5'-flanking nucleotide. As a critical test of whether such DNA deamination activity underpins antibody diversification and to gain insight into the extent to which the antibody mutation spectrum is dependent on the intrinsic substrate specificity of AID, we investigated whether it is possible to change the IgV mutation spectrum by altering AID's active site such that it prefers a pyrimidine (rather than a purine) flanking the targeted deoxycytidine. Consistent with the DNA deamination mechanism, B cells expressing the modified AID proteins yield altered IgV mutation spectra (exhibiting a purine-->pyrimidine shift in flanking nucleotide preference) and altered hotspots. However, AID-catalyzed deamination of IgV targets in vitro does not yield the same degree of hotspot dominance to that observed in vivo, indicating the importance of features beyond AID's active site and DNA local sequence environment in determining in vivo hotspot dominance.

  1. Engineered disulfide bonds increase active-site local stability and reduce catalytic activity of a cold-adapted alkaline phosphatase.

    Science.gov (United States)

    Asgeirsson, Bjarni; Adalbjörnsson, Björn Vidar; Gylfason, Gudjón Andri

    2007-06-01

    Alkaline phosphatase is an extracellular enzyme that is membrane-bound in eukaryotes but resides in the periplasmic space of bacteria. It normally carries four cysteine residues that form two disulfide bonds, for instance in the APs of Escherichia coli and vertebrates. An AP variant from a Vibrio sp. has only one cysteine residue. This cysteine is second next to the nucleophilic serine in the active site. We have individually modified seven residues to cysteine that are on two loops predicted to be within a 5 A radius. Four of them formed a disulfide bond to the endogenous cysteine. Thermal stability was monitored by circular dichroism and activity measurements. Global stability was similar to the wild-type enzyme. However, a significant increase in heat-stability was observed for the disulfide-containing variants using activity as a measure, together with a large reduction in catalytic rates (k(cat)) and a general decrease in Km values. The results suggest that a high degree of mobility near the active site and in the helix carrying the endogenous cysteine is essential for full catalytic efficiency in the cold-adapted AP.

  2. Orthogonal electrode catheter array for mapping of endocardial focal site of ventricular activation

    Energy Technology Data Exchange (ETDEWEB)

    Desai, J.M.; Nyo, H.; Vera, Z.; Seibert, J.A.; Vogelsang, P.J. (Division of Cardiovascular Medicine, University of California, School of Medicine, Davis (USA))

    1991-04-01

    Precise location of the endocardial site of origin of ventricular tachycardia may facilitate surgical and catheter ablation of this arrhythmia. The endocardial catheter mapping technique can locate the site of ventricular tachycardia within 4-8 cm2 of the earliest site recorded by the catheter. This report describes an orthogonal electrode catheter array (OECA) for mapping and radiofrequency ablation (RFA) of endocardial focal site of origin of a plunge electrode paced model of ventricular activation in dogs. The OECA is an 8 F five pole catheter with four peripheral electrodes and one central electrode (total surface area 0.8 cm{sup 2}). In eight mongrel dogs, mapping was performed by arbitrarily dividing the left ventricle (LV) into four segments. Each segment was mapped with OECA to find the earliest segment. Bipolar and unipolar electrograms were obtained. The plunge electrode (not visible on fluoroscopy) site was identified by the earliest wave front arrival times of -30 msec or earlier at two or more electrodes (unipolar electrograms) with reference to the earliest recorded surface ECG (I, AVF, and V1). Validation of the proximity of the five electrodes of the OECA to the plunge electrode was performed by digital radiography and RFA. Pathological examination was performed to document the proximity of the OECA to the plunge electrode and also for the width, depth, and microscopic changes of the ablation. To find the segment with the earliest LV activation a total of 10 {plus minus} 3 (mean {plus minus} SD) positions were mapped. Mean arrival times at the two earlier electrodes were -39 {plus minus} 4 msec and -35 {plus minus} 3 msec. Digital radiography showed the plunge electrode to be within the area covered by all five electrodes in all eight dogs. The plunge electrode was within 1 cm2 area of the region of RFA in all eight dogs.

  3. Effects of environmental enrichment on the activity of the amygdala in micrencephalic rats exposed to a novel open field.

    Science.gov (United States)

    Matsuda, Wakoto; Ehara, Ayuka; Nakadate, Kazuhiko; Yoshimoto, Kanji; Ueda, Shuichi

    2018-01-01

    Environmental enrichment (EE) mediates recovery from sensory, motor, and cognitive deficits and emotional abnormalities. In the present study, we examined the effects of EE on locomotor activity and neuronal activity in the amygdala in control and methylazoxymethanol acetate (MAM)-induced micrencephalic rats after challenge in a novel open field. Control rats housed in EE (CR) showed reduced locomotor activity compared to rats housed in a conventional cage (CC), whereas hyperactivity was seen in MAM rats housed in a conventional cage (MC) and in MAM rats housed in EE (MR). Novel open field exposure in both CC and MC resulted in a marked increase in Fos expression in the anterior and posterior parts of the basolateral amygdaloid nucleus, basomedial nucleus, and medial nucleus, whereas these increases in expression were not observed in CR. The effect of EE on Fos expression in the amygdala was different in MR exposed to a novel open field compared to CR. Furthermore, we observed a quite different pattern of Fos expression in the central nucleus of the amygdala between control and MAM rats. The present results suggest that neuronal activity in the amygdala that responds to anxiety is altered in MAM rats, especially when the rats are reared in EE. These alterations may cause behavioral differences between control and MAM rats. © 2017 Japanese Teratology Society.

  4. LANGUAGE LEARNING ACTIVITIES OF DISTANCE EFL LEARNERS IN THE TURKISH OPEN EDUCATION SYSTEM AS THE INDICATOR OF THEIR LEARNER AUTONOMY

    Directory of Open Access Journals (Sweden)

    Dilek ALTUNAY

    2013-10-01

    Full Text Available This study investigates the noncompulsory language learning activities performed by a group of distance EFL learners in the Turkish Open Education System. Performance of these activities has been considered as an indicator of their learner autonomy. The data were collected through an online questionnaire and interviews. The study shows that in general learners do not demonstrate autonomous language learning behaviour. They prefer learning English in a relaxed environment particularly by engaging in entertaining activities, and through note-taking. However, they do not have sufficient interaction with their facilitator, other learners or speakers. Although the participants are distance learners, they do not prefer Internet-based activities. Conditions stemming from adulthood, lack of skills necessary to perform an activity, lack of awareness of some activities and learners’ experiences in their previous years of education are some of the reasons for their unautonomous behaviour. The article also includes suggestions for teaching and future research.

  5. Impact of Location of the Central Activities on Development of Open Public Space in the City Centers of Small Cities

    Directory of Open Access Journals (Sweden)

    Volgemut, Mateja

    2016-10-01

    Full Text Available Urban areas of the central activities with mixed land use are crucial for the development of city center, even in small cities. In the last decades or two the attention is drawn on the retail and service activities that are usually located outside of cities near main roads. Municipalities had already detected this problem, but they are not implementing any of the measures (Rebernik, 2010. The purpose of this paper is to demonstrate that the central activities in small cities in Slovenia are located in freestanding buildings, which is most appropriate in terms of forming the open public space in the city center. In this research we compared ten central activities (Vrišer, 1988, 1990, Kokole, 1971 in 34 small cities. We selected only those small cities (Prosen et al, 2008 which have among other activities a county court. The results showed the differences and commonalities of the central activities in selected small cities according to the indicators. Litija, Domžale and Sevnica are small cities, where activities that could articulate open public space are located in the larger building complexes. The phenomenon is similar to a modern machine, where action in it and indirectly the insight into the functioning of the society is invisible to the observer (Kos, 2008. We found out that in these tree cities the central activities are not forming the open public spaces in front of the public buildings (Vertelj Nared, 2014. The result is problematic image of the city and changed forces of the city life.

  6. Retro-binding thrombin active site inhibitors: identification of an orally active inhibitor of thrombin catalytic activity.

    Science.gov (United States)

    Iwanowicz, Edwin J; Kimball, S David; Lin, James; Lau, Wan; Han, W-C; Wang, Tammy C; Roberts, Daniel G M; Schumacher, W A; Ogletree, Martin L; Seiler, Steven M

    2002-11-04

    A series of retro-binding inhibitors of human alpha-thrombin was prepared to elucidate structure-activity relationships (SAR) and optimize in vivo performance. Compounds 9 and 11, orally active inhibitors of thrombin catalytic activity, were identified to be efficacious in a thrombin-induced lethality model in mice.

  7. Influence of the International Academic and Labor Mobility on the Activity of Open Innovations

    Science.gov (United States)

    Madina, Tulegenova; Mansurova, Benazir

    2016-01-01

    This article presents the analysis of the new tendencies: openness of technologies, growth of the migration flows of the youth that are seeking for the quality education, and highly qualified professionals, who offer their unique abilities to large companies and research centers of the developed countries. The subjects of the world market…

  8. Design of Open Content Social Learning Based on the Activities of Learner and Similar Learners

    Science.gov (United States)

    John, Benneaser; Jayakumar, J.; Thavavel, V.; Arumugam, Muthukumar; Poornaselvan, K. J.

    2017-01-01

    Teaching and learning are increasingly taking advantage of the rapid growth in Internet resources, open content, mobile technologies and social media platforms. However, due to the generally unstructured nature and overwhelming quantity of learning content, effective learning remains challenging. In an effort to close this gap, the authors…

  9. Ontogeny of open field activity in rats after neonatal lesioning of the mesocortical dopaminergic projection

    NARCIS (Netherlands)

    Kalsbeek, A.; de Bruin, J. P.; Matthijssen, M. A.; Uylings, H. B.

    1989-01-01

    In order to examine the effect of neonatal depletion of the dopaminergic mesocortical projection on the development of a prefrontal cortex-mediated behaviour the ontogeny of open field behaviour was studied after neonatal depletion of cortical dopamine. Cortical dopamine was depleted by neonatal

  10. Adsorption and separation of CO{sub 2} on Fe(II)-MOF-74: Effect of the open metal coordination site

    Energy Technology Data Exchange (ETDEWEB)

    Lou, Wolong; Yang, Jiangfeng; Li, Libo; Li, Jinping, E-mail: Jpli211@hotmail.com

    2014-05-01

    We describe the successful synthesis of Fe{sub 2}(dobdc) (dobdc{sup 4−}=2, 5-dioxido-1, 4-benzenedicarboxylate), which has an open metal coordination site Fe(II), and investigate the adsorption properties of three important molecules CO{sub 2}, CH{sub 4} and N{sub 2} on Fe{sub 2}(dobdc) and an oxidized analog, Fe{sub 2}(O{sub 2})(dobdc). We found that CO{sub 2} adsorption isotherm of Fe{sub 2}(dobdc) at 10 bar was very different from Fe{sub 2}(O{sub 2})(dobdc), with the capacities of 144.5 cm{sup 3} g{sup −1} and 98.1 cm{sup 3} g{sup −1}, respectively. The adsorption capacities for CH{sub 4} were 75.8 cm{sup 3} g{sup −1} and 36.8 cm{sup 3} g{sup −1}, respectively, at 10 bar in these materials. Using ideal adsorbed solution theory (IAST), we obtain the adsorption selectivity for CO{sub 2} using equimolar mixtures of CO{sub 2}/CH{sub 4} and CO{sub 2}/N{sub 2} with Fe{sub 2}(dobdc) and Fe{sub 2}(O{sub 2})(dobdc) as a function of pressure. Fe{sub 2}(dobdc) has a higher, more stable separation factor. - Graphical abstract: The selectivity of CO{sub 2}/CH{sub 4} mixture (50%/50%) on Fe{sub 2}(dobdc) and Fe{sub 2}(O{sub 2})(dobdc). - Highlights: • We explored the contrastive adsorption of CO{sub 2}, CH{sub 4}, and N{sub 2} in Fe{sub 2}(dobdc) and Fe{sub 2}(O{sub 2})(dobdc) for the first time. • Through IAST, we obtain the adsorption selectivity for CO{sub 2} from the equimolar mixture of CO{sub 2}/CH{sub 4} and CO{sub 2}/N{sub 2} for Fe{sub 2}(dobdc) and Fe{sub 2}(O{sub 2})(dobdc). • We determined that the open coordination site of Fe(II) is the main reason for different adsorption performances.

  11. Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase.

    Science.gov (United States)

    Liu, C Tony; Layfield, Joshua P; Stewart, Robert J; French, Jarrod B; Hanoian, Philip; Asbury, John B; Hammes-Schiffer, Sharon; Benkovic, Stephen J

    2014-07-23

    Electrostatic interactions play an important role in enzyme catalysis by guiding ligand binding and facilitating chemical reactions. These electrostatic interactions are modulated by conformational changes occurring over the catalytic cycle. Herein, the changes in active site electrostatic microenvironments are examined for all enzyme complexes along the catalytic cycle of Escherichia coli dihydrofolate reductase (ecDHFR) by incorporation of thiocyanate probes at two site-specific locations in the active site. The electrostatics and degree of hydration of the microenvironments surrounding the probes are investigated with spectroscopic techniques and mixed quantum mechanical/molecular mechanical (QM/MM) calculations. Changes in the electrostatic microenvironments along the catalytic environment lead to different nitrile (CN) vibrational stretching frequencies and (13)C NMR chemical shifts. These environmental changes arise from protein conformational rearrangements during catalysis. The QM/MM calculations reproduce the experimentally measured vibrational frequency shifts of the thiocyanate probes across the catalyzed hydride transfer step, which spans the closed and occluded conformations of the enzyme. Analysis of the molecular dynamics trajectories provides insight into the conformational changes occurring between these two states and the resulting changes in classical electrostatics and specific hydrogen-bonding interactions. The electric fields along the CN axes of the probes are decomposed into contributions from specific residues, ligands, and solvent molecules that make up the microenvironments around the probes. Moreover, calculation of the electric field along the hydride donor-acceptor axis, along with decomposition of this field into specific contributions, indicates that the cofactor and substrate, as well as the enzyme, impose a substantial electric field that facilitates hydride transfer. Overall, experimental and theoretical data provide evidence for

  12. Modeling emissions and dispersion of contaminants from cleanup activities at a mixed waste site to estimate air impacts and risks

    International Nuclear Information System (INIS)

    Chang, Y.S.; Menlove, S.

    1993-09-01

    The transport and dispersion of contaminants via the air pathway is a major concern during cleanup of contaminated sites. Impacts to air quality and human health during cleanup were evaluated for the Weldon Spring site by using site-specific information for source areas, activities, and receptor locations. In order to ensure protection of human health and the environment, results are being used to focus on those cleanup activities for which release controls should be emphasized

  13. Multi-Modal Active Perception for Autonomously Selecting Landing Sites on Icy Moons

    Science.gov (United States)

    Arora, A.; Furlong, P. M.; Wong, U.; Fong, T.; Sukkarieh, S.

    2017-01-01

    Selecting suitable landing sites is fundamental to achieving many mission objectives in planetary robotic lander missions. However, due to sensing limitations, landing sites which are both safe and scientifically valuable often cannot be determined reliably from orbit, particularly, in icy moon missions where orbital sensing data is noisy and incomplete. This paper presents an active perception approach to Entry Descent and Landing (EDL) which enables the lander to autonomously plan informative descent trajectories, acquire high quality sensing data during descent and exploit this additional information to select higher utility landing sites. Our approach consists of two components: probabilistic modeling of landing site features and approximate trajectory planning using a sampling based planner. The proposed framework allows the lander to plan long horizons paths and remain robust to noisy data. Results in simulated environments show large performance improvements over alternative approaches and show promise that our approach has strong potential to improve science return of not only icy moon missions but EDL systems in general.

  14. Active prospective surveillance study with post-discharge surveillance of surgical site infections in Cambodia

    Directory of Open Access Journals (Sweden)

    José Guerra

    2015-05-01

    Full Text Available Summary: Barriers to the implementation of the Centers for Disease Control and Prevention (CDC guidelines for surgical site infection (SSI surveillance have been described in resource-limited settings. This study aimed to estimate the SSI incidence rate in a Cambodian hospital and to compare different modalities of SSI surveillance. We performed an active prospective study with post-discharge surveillance. During the hospital stay, trained surveyors collected the CDC criteria to identify SSI by direct examination of the surgical site. After discharge, a card was given to each included patient to be presented to all practitioners examining the surgical site. Among 167 patients, direct examination of the surgical site identified a cumulative incidence rate of 14 infections per 100 patients. An independent review of medical charts presented a sensitivity of 16%. The sensitivity of the purulent drainage criterion to detect SSIs was 83%. After hospital discharge, 87% of the patients provided follow-up data, and nine purulent drainages were reported by a practitioner (cumulative incidence rate: 20%. Overall, the incidence rate was dependent on the surveillance modalities. The review of medical charts to identify SSIs during hospitalization was not effective; the use of a follow-up card with phone calls for post-discharge surveillance was effective. Keywords: Surgical wound infection, Cambodia, Infection control, Developing countries, Follow-up studies, Feasibility studies

  15. Simulation of the Mechanism of Gas Sorption in a Metal–Organic Framework with Open Metal Sites: Molecular Hydrogen in PCN-61

    KAUST Repository

    Forrest, Katherine A.

    2012-07-26

    Grand canonical Monte Carlo (GCMC) simulations were performed to investigate hydrogen sorption in an rht-type metal-organic framework (MOF), PCN-61. The MOF was shown to have a large hydrogen uptake, and this was studied using three different hydrogen potentials, effective for bulk hydrogen, but of varying sophistication: a model that includes only repulsion/dispersion parameters, one augmented with charge-quadrupole interactions, and one supplemented with many-body polarization interactions. Calculated hydrogen uptake isotherms and isosteric heats of adsorption, Q st, were in quantitative agreement with experiment only for the model with explicit polarization. This success in reproducing empirical measurements suggests that modeling MOFs that have open metal sites is feasible, though it is often not considered to be well described via a classical potential function; here it is shown that such systems may be accurately described by explicitly including polarization effects in an otherwise traditional empirical potential. Decomposition of energy terms for the models revealed deviations between the electrostatic and polarizable results that are unexpected due to just the augmentation of the potential surface by the addition of induction. Charge-quadrupole and induction energetics were shown to have a synergistic interaction, with inclusion of the latter resulting in a significant increase in the former. Induction interactions strongly influence the structure of the sorbed hydrogen compared to the models lacking polarizability; sorbed hydrogen is a dipolar dense fluid in the MOF. This study demonstrates that many-body polarization makes a critical contribution to gas sorption structure and must be accounted for in modeling MOFs with polar interaction sites. © 2012 American Chemical Society.

  16. Cernavoda Unit 2: - BOP 3D model proposal for a possible organization of site activities

    International Nuclear Information System (INIS)

    Ghiesura, G.; Scarsin, Sioli; Orlandi, S.

    1999-01-01

    The scope of this activity is to define characteristics and advantages of the 3D model of Cernavoda BOP to this set up at site for engineering and construction activities. This model will provide a modern and proven tool able to strongly support the site activities with particular regard to the following: 1. engineering activities, - plant arrangement 'double check' for resolution of clashing; - easy management of future design changes; - real time plant configuration updating as soon as any design modification is approved and integrated in the model; - preparation of high quality documentation for procurement, construction and commissioning; - prompt availability of the as built configuration of the plant as soon as the last modification is frozen; 2. material procurement activities, - definition of the priorities in the construction material procurement according to the construction planning by area; - inventory list of equipment, pipes, fittings, valves, cable trays and ventilation ducts to be installed in each construction area; 3. construction activities, - definition of construction sequences, with particular reference in the congested areas, for piping cable trays (electrical and C-and-I) and ventilations ducts; - definition of piping spools by construction contractors; - follow-up of the activities in each area (i.e. construction, painting, insulation, flushing, pressure testing, etc); 4. turn-over and commissioning, - check of the progress. The success of this approach is based on the following: i) proper management of the remote workstations providing easy and reliable access to the model; ii) subdivision of the Integrated Building in construction areas, whose detail design may be allotted to Romanian organizations with multidisciplinary tasks; iii) integration in the model of the remote developed engineering in order to validate the details of the design. (authors)

  17. Determination of the Bridging Ligand in the Active Site of Tyrosinase

    Directory of Open Access Journals (Sweden)

    Congming Zou

    2017-10-01

    Full Text Available Tyrosinase is a type-3 copper enzyme that is widely distributed in plants, fungi, insects, and mammals. Developing high potent inhibitors against tyrosinase is of great interest in diverse fields including tobacco curing, food processing, bio-insecticides development, cosmetic development, and human healthcare-related research. In the crystal structure of Agaricus bisporus mushroom tyrosinase, there is an oxygen atom bridging the two copper ions in the active site. It is unclear whether the identity of this bridging oxygen is a water molecule or a hydroxide anion. In the present study, we theoretically determine the identity of this critical bridging oxygen by performing first-principles hybrid quantum mechanics/molecular mechanics/Poisson-Boltzmann-surface area (QM/MM-PBSA calculations along with a thermodynamic cycle that aim to improve the accuracy. Our results show that the binding with water molecule is energy favored and the QM/MM-optimized structure is very close to the crystal structure, whereas the binding with hydroxide anions causes the increase of energy and significant structural changes of the active site, indicating that the identity of the bridging oxygen must be a water molecule rather than a hydroxide anion. The different binding behavior between water and hydroxide anions may explain why molecules with a carboxyl group or too many negative charges have lower inhibitory activity. In light of this, the design of high potent active inhibitors against tyrosinase should satisfy both the affinity to the copper ions and the charge neutrality of the entire molecule.

  18. Effect of particle surface area on ice active site densities retrieved from droplet freezing spectra

    Directory of Open Access Journals (Sweden)

    H. Beydoun

    2016-10-01

    Full Text Available Heterogeneous ice nucleation remains one of the outstanding problems in cloud physics and atmospheric science. Experimental challenges in properly simulating particle-induced freezing processes under atmospherically relevant conditions have largely contributed to the absence of a well-established parameterization of immersion freezing properties. Here, we formulate an ice active, surface-site-based stochastic model of heterogeneous freezing with the unique feature of invoking a continuum assumption on the ice nucleating activity (contact angle of an aerosol particle's surface that requires no assumptions about the size or number of active sites. The result is a particle-specific property g that defines a distribution of local ice nucleation rates. Upon integration, this yields a full freezing probability function for an ice nucleating particle. Current cold plate droplet freezing measurements provide a valuable and inexpensive resource for studying the freezing properties of many atmospheric aerosol systems. We apply our g framework to explain the observed dependence of the freezing temperature of droplets in a cold plate on the concentration of the particle species investigated. Normalizing to the total particle mass or surface area present to derive the commonly used ice nuclei active surface (INAS density (ns often cannot account for the effects of particle concentration, yet concentration is typically varied to span a wider measurable freezing temperature range. A method based on determining what is denoted an ice nucleating species' specific critical surface area is presented and explains the concentration dependence as a result of increasing the variability in ice nucleating active sites between droplets. By applying this method to experimental droplet freezing data from four different systems, we demonstrate its ability to interpret immersion freezing temperature spectra of droplets containing variable particle concentrations. It is shown

  19. Summary report of Hanford Site well remediation and decommissioning activities for fiscal year 1994

    International Nuclear Information System (INIS)

    Reynolds, K.D.

    1994-01-01

    Remediation and decommissioning of Hanford Site wells has become an integral part of Hanford Site Environmental Restoration (ER) and Resource Conservation and Recovery Act of 1976 (RCRA) groundwater monitoring programs. A well remediation and decommissioning program was funded and implemented in fiscal year (FY) 1993 under the RCRA and Operational Monitoring (ROM) Program. Funding for this work increased in FY 1994. In FY 1994 well decommissioning activities conducted for the ROM program were centered around the 200 West Area; activities for the ER program were centered in the Fitzner/Eberhart Arid Land Ecology (ALE) (Reserve) unit and the Wahluke Slope (North Slope) area. A total of 116 wells and test borings were decommissioned between the two programs during FY 1994. Additionally, five wells were identified as in need of remediation and were successfully brought into compliance with regulatory requirements. As Hanford Site restoration and remediation efforts increase in scope, the well decommissioning program will remain dynamic. The program will aggressively seek to fulfill the needs of the various environmental cleanup and groundwater/vadose monitoring programs. Wells that do not meet regulatory requirements for preservation will continually be identified and remediated or decommissioned accordingly

  20. Stress-induced enhancement of leukocyte trafficking into sites of surgery or immune activation

    Science.gov (United States)

    Viswanathan, Kavitha; Dhabhar, Firdaus S.

    2005-04-01

    Effective immunoprotection requires rapid recruitment of leukocytes into sites of surgery, wounding, infection, or vaccination. In contrast to immunosuppressive chronic stressors, short-term acute stressors have immunoenhancing effects. Here, we quantify leukocyte infiltration within a surgical sponge to elucidate the kinetics, magnitude, subpopulation, and chemoattractant specificity of an acute stress-induced increase in leukocyte trafficking to a site of immune activation. Mice acutely stressed before sponge implantation showed 200-300% higher neutrophil, macrophage, natural killer cell, and T cell infiltration than did nonstressed animals. We also quantified the effects of acute stress on lymphotactin- (LTN; a predominantly lymphocyte-specific chemokine), and TNF-- (a proinflammatory cytokine) stimulated leukocyte infiltration. An additional stress-induced increase in infiltration was observed for neutrophils, in response to TNF-, macrophages, in response to TNF- and LTN, and natural killer cells and T cells in response to LTN. These results show that acute stress initially increases trafficking of all major leukocyte subpopulations to a site of immune activation. Tissue damage-, antigen-, or pathogen-driven chemoattractants subsequently determine which subpopulations are recruited more vigorously. Such stress-induced increases in leukocyte trafficking may enhance immunoprotection during surgery, vaccination, or infection, but may also exacerbate immunopathology during inflammatory (cardiovascular disease or gingivitis) or autoimmune (psoriasis, arthritis, or multiple sclerosis) diseases. chemokine | psychophysiological stress | surgical sponge | wound healing | lymphotactin

  1. Open Source Analysis in Support to Nonproliferation Monitoring and Verification Activities: Using the New Media to Derive Unknown New Information

    International Nuclear Information System (INIS)

    Pabian, F.; Renda, G.; Jungwirth, R.; Kim, L.; Wolfart, E.; Cojazzi, G.G.M.; )

    2015-01-01

    This paper will describe evolving techniques that leverage freely available open source social media venues, sometimes referred to as the ''New Media,'' together with geospatial tools and commercial satellite imagery (with its ever improving spatial, spectral, and temporal resolutions), to expand the existing nuclear non-proliferation knowledge base by way of a review of some recent exemplar cases. The application of such techniques can enhance more general data mining, as those techniques can be more directly tailored to IAEA Safeguards monitoring and other non-proliferation verification activities to improve the possibility of the remote detection of undeclared nuclear related facilities and/or activities. As part of what might be called the new ''Societal Verification'' regime, these techniques have enlisted either the passive or active involvement of interested parties (NGOs, academics, and even hobbyists) using open sources and collaboration networks together with previously highlighted geospatial visualization tools and techniques. This paper will show how new significant, and unprecedented, information discoveries have already been made (and published in open source) in the last four years, i.e., since the last IAEA Safeguards Symposium. With respect to the possibility of soliciting active participation (e.g., ''crowd-sourcing'') via social media, one can envision scenarios (one example from open source will be provided) whereby a previously unknown nuclear related facility could be identified or located through the online posting of reports, line drawings, and/or ground photographs. Nonetheless, these techniques should not be viewed as a panacea, as examples of both deception and human error will also be provided. This paper will highlight the use of these remote-means of discovery techniques, and how they have shed entirely new light on important nuclear non-proliferation relevant issues in

  2. Panel on increasing the visibility and publicity for data activities and assuring the open exchange of data

    International Nuclear Information System (INIS)

    Schultz, D.R.

    1998-01-01

    This panel was charged with leading and stimulating discussion regarding two principal issues: (1) the need to increase the visibility of atomic data production and collection activities in recognition of their role as vitally important resources for diverse applications, and (2) the need to assure the open exchange of this data. Comments by the panelists, supplemented by interaction with the audience, are summarized here along with the principal conclusions

  3. Is there a difference between active opening of the Eustachian tube in a hypobaric surrounding compared to a hyperbaric surrounding?

    Science.gov (United States)

    Mikolajczak, Stefanie; Meyer, Moritz Friedo; Felsch, Moritz; Jumah, Masen Dirk; Hüttenbrink, Karl-Bernd; Grosheva, Maria; Luers, Jan-Christoffer; Beutner, Dirk

    2015-01-01

    The Eustachian tube (ET) is the key to pressure equalization between the middle ear and ambient pressure. To date, little is known about differences of the opening mechanisms under hyper- or hypobaric conditions. Aim of this study was to compare standard ET opening parameters during standardized hypo- and hyperbaric exposures. Thirty healthy participants were exposed to a standardized profile of decompression and compression (SPDC) in a hypo-/hyperbaric pressure chamber. Impedance, expressed as tympanic membrane compliance, was recorded at intervals during the excursions from 1 atmosphere absolute (atm abs) to 0.8 and 1.2 atm abs respectively. Parameters for tubal opening were obtained during SPDC: ET opening pressure (ETOP), ET opening duration (ETOD) and ET opening frequency (ETOF), hypobaric (Phase 1) and hyperbaric (Phase 2) data were compared. Mean value for Valsalva maneuver ETOP was 40.10 ± 19.02 mbar in Phase 2 vs. 42.82 ± 21.75 mbar in Phase 1. For ETOD it was 2.80 ± 2.09 seconds in Phase 2 vs. 2.51 ± 1.90 seconds in Phase 1. For swallowing, mean value for ETOP was 33.47 ± 14.50 mbar in Phase 2 vs. 28.44 ± 14.04 in Phase 1. ETOD was 0.82 ± 0.60 seconds in Phase 2 vs. 0.76 ± 0.55 seconds in Phase 1. There was no statistical significance for ETOP, ETOD and ETOF between the two phases. No statistical significant difference was evident for active pressure equalization (Valsalva and swallowing) between a hyperbaric setting (dive) and a hypobaric setting (flight) in healthy subjects.

  4. Synthesis and characterization of (18)F-labeled active site inhibited factor VII (ASIS).

    Science.gov (United States)

    Erlandsson, Maria; Nielsen, Carsten H; Jeppesen, Troels E; Kristensen, Jesper B; Petersen, Lars C; Madsen, Jacob; Kjaer, Andreas

    2015-05-15

    Activated factor VII blocked in the active site with Phe-Phe-Arg-chloromethyl ketone (active site inhibited factor VII (ASIS)) is a 50-kDa protein that binds with high affinity to its receptor, tissue factor (TF). TF is a transmembrane glycoprotein that plays an important role in, for example, thrombosis, metastasis, tumor growth, and tumor angiogenesis. The aim of this study was to develop an (18)F-labeled ASIS derivative to assess TF expression in tumors. Active site inhibited factor VII was labeled using N-succinimidyl-4-[(18)F]fluorobenzoate, and the [(18)F]ASIS was purified on a PD-10 desalting column. The radiochemical yield was 25 ± 6%, the radiochemical purity was >97%, and the pseudospecific radioactivity was 35 ± 9 GBq/µmol. The binding efficacy was evaluated in pull-down experiments, which monitored the binding of unlabeled ASIS and [(18)F]ASIS to TF and to a specific anti-factor VII antibody (F1A2-mAb). No significant difference in binding efficacy between [(18)F]ASIS and ASIS could be detected. Furthermore, [(18)F]ASIS was relatively stable in vitro and in vivo in mice. In conclusion, [(18)F]ASIS has for the first time been successfully synthesized as a possible positron emission tomography tracer to image TF expression levels. In vivo positron emission tomography studies to evaluate the full potential of [(18)F]ASIS are in progress. Copyright © 2015 John Wiley & Sons, Ltd.

  5. Benzodiazepines: rat pinealocyte binding sites and augmentation of norepinephrine-stimulated N-acetyltransferase activity

    Energy Technology Data Exchange (ETDEWEB)

    Matthew, E.; Parfitt, A.G.; Sugden, D.; Engelhardt, D.L.; Zimmerman, E.A.; Klein, D.C.

    1984-02-01

    Studies of (/sup 3/H)diazepam binding to intact rat pineal cells were carried out in tissue culture preparations. The binding was saturable, reversible and proportional to the number of cells used. Scatchard analysis resulted in a linear plot (Kd . 23 nM, maximum binding sites (Bmax) . 1.56 pmol/mg of protein for cells in monolayer culture; Kd . 7 nM, Bmax . 1.3 pmol/mg of protein for cells in suspension culture). Inhibition constants (Ki) for clonazepam (500 nM), flunitrazepam (38 nM) and Ro-5-4864 (5 nM) indicated that the binding sites were probably of the ''peripheral'' type. In addition, the effects of diazepam on norepinephrine-stimulated N-acetyltransferase (NAT) activity were studied in organ culture and dissociated cell culture. Diazepam (10-50 microM) both prolonged and increased the magnitude of the norepinephrine-induced increase in NAT activity but did not affect the initial rate of rise of enzyme activity. The effect was dose-dependent and was also seen with clonazepam, flunitrazepam and Ro-5-4864, but not with Ro-15-1788. Diazepam, by itself, at these concentrations, had no effect on NAT, but enzyme activity was increased by higher concentrations (0.1-1 mM). Although a relationship between the (/sup 3/H)diazepam binding sites described here and the effect of benzodiazepines on NAT cannot be established from these studies, the data suggest that the benzodiazepines may alter melatonin levels through their action on NAT.

  6. Affinity labeling and characterization of the active site histidine of glucosephosphate isomerase

    International Nuclear Information System (INIS)

    Gibson, D.R.; Gracy, R.W.; Hartman, F.C.

    1980-01-01

    N-bromoacetylethanolamine phosphate was found to act as a specific affinity label for the active center of glucosephosphate isomerase. The inactivation process followed pseudo-first order kinetics, was irreversible, and exhibited rate saturation kinetics with minimal half-lives of inactivation of 4.5 and 6.3 min for the enzyme isolated from human placenta and rabbit muscle, respectively. The pH dependence of the inactivation process closely paralleled the pH dependence of the overall catalytic process with pK/sub a/ values at pH 6.4 and 9.0. The stoichiometry of labeling of either enzyme, as determined with N-bromo[ 14 C 2 ]acetylethanolamine phosphate, was 1 eq of the affinity label/subunit of enzyme. After acid hydrolysis and amino acid analysis of the radioactive affinity-labeled human enzyme, only radioactive 3-carboxymethyl histidine was found. In the case of the rabbit enzyme, the only radioactive derivative obtained was 1-carboxymethyl histidine. Active site tryptic peptides were isolated by solvent extraction, thin layer peptide fingerprinting, and ion exchange chromatography before and after removal of the phosphate from the active site peptide. Amino acid analysis of the labeled peptides from the two species were very similar. Using high sensitivity methods for sequence analysis, the primary structure of the active site was established as Val-Leu-His-Ala-Glu-Asn-Val-Asp (Gly,Thr,Ser) Glu-Ile (Thr-Gly-His-Lys-Glx)-Tyr-Phe. Apparent sequence homology between the catalytic center of glucosephosphate isomerase and triosephosphate isomerase suggest that the two enzymes may have evolved from a common ancestral gene

  7. Synergistic dual activation catalysis by palladium nanoparticles for epoxide ring opening with phenols.

    Science.gov (United States)

    Seth, Kapileswar; Roy, Sudipta Raha; Pipaliya, Bhavin V; Chakraborti, Asit K

    2013-07-04

    Synergistic dual activation catalysis has been devised for epoxide phenolysis wherein palladium nanoparticles induce electrophilic activation via coordination with the epoxide oxygen followed by nucleophilic activation through anion-π interaction with the aromatic ring of the phenol, and water (reaction medium) also renders assistance through 'epoxide-phenol' dual activation.

  8. Effects of prenatal ethanol exposure and early experience on home-cage and open-field activity in mice.

    Science.gov (United States)

    Mothes, H K; Opitz, B; Werner, R; Clausing, P

    1996-01-01

    -C57BL/6 mice were intubated from gestational day 14-18 twice daily with 1.58 g/kg ethanol, 4.2 g/kg sucrose, or remained untreated. Offspring of ethanol treated or lab chow control groups were raised either by group-housed dams and weaned on postnatal day (PND) 28 or by individually housed dams and weaned on PND 21. Offspring of the sucrose control group were raised by individually housed dams and weaned on PND 21. Groups did not differ in pup weight or litter size. Offspring were assessed for home-cage activity (PND 36-38) and open-field behavior (PND 40-42). Mice prenatally exposed to ethanol showed increased activity in their home cages, whereas open-field behavior was generally not different from that of control groups. Conversely, different preweaning rearing conditions had affected open-field behavior, but not home-cage activity. In conclusion, home-cage behavior was a sensitive paradigm for detecting hyperactivity subsequent to a relatively low dose of prenatal ethanol in mice, and communal nesting/late weaning vs. individual nesting/ standard weaning may be a useful preweaning environmental manipulation to study possible modifications of prenatal neurobehavioral effects.

  9. Platelet activating factor induces transient blood-brain barrier opening to facilitate edaravone penetration into the brain.

    Science.gov (United States)

    Fang, Weirong; Zhang, Rui; Sha, Lan; Lv, Peng; Shang, Erxin; Han, Dan; Wei, Jie; Geng, Xiaohan; Yang, Qichuan; Li, Yunman

    2014-03-01

    The blood-brain barrier (BBB) greatly limits the efficacy of many neuroprotective drugs' delivery to the brain, so improving drug penetration through the BBB has been an important focus of research. Here we report that platelet activating factor (PAF) transiently opened BBB and facilitated neuroprotectant edaravone penetration into the brain. Intravenous infusion with PAF induced a transient BBB opening in rats, reflected by increased Evans blue leakage and mild edema formation, which ceased within 6 h. Furthermore, rat regional cerebral blood flow (rCBF) declined acutely during PAF infusion, but recovered slowly. More importantly, this transient BBB opening significantly increased the penetration of edaravone into the brain, evidenced by increased edaravone concentrations in tissue interstitial fluid collected by microdialysis and analyzed by Ultra-performance liquid chromatograph combined with a hybrid quadrupole time-of-flight mass spectrometer (UPLC-MS/MS). Similarly, incubation of rat brain microvessel endothelial cells monolayer with 1 μM PAF for 1 h significantly increased monolayer permeability to (125)I-albumin, which recovered 1 h after PAF elimination. However, PAF incubation with rat brain microvessel endothelial cells for 1 h did not cause detectable cytotoxicity, and did not regulate intercellular adhesion molecule-1, matrix-metalloproteinase-9 and P-glycoprotein expression. In conclusion, PAF could induce transient and reversible BBB opening through abrupt rCBF decline, which significantly improved edaravone penetration into the brain. Platelet activating factor (PAF) transiently induces BBB dysfunction and increases BBB permeability, which may be due to vessel contraction and a temporary decline of regional cerebral blood flow (rCBF) triggered by PAF. More importantly, the PAF induced transient BBB opening facilitates neuroprotectant edaravone penetration into brain. The results of this study may provide a new approach to improve drug delivery into

  10. Financial and Economic Support for the Activity and Publication Openness of Workers in the Scientific Sphere: Management Doctrine

    Directory of Open Access Journals (Sweden)

    Karpinsky Borys A.

    2017-12-01

    Full Text Available The aim of the article is both in the system identification of the financial and economic features of supporting the scientific sphere and in the development of a management doctrine to increase the efficiency of activity of scientific workers in the global scientific space by combining publication openness, motivational levers, business and consumer interests based on foreign experience and strategiology of development in the realities of Ukraine. It is determined that the publication openness of a particular scientist depends on the scientific openness of publications in national print media, which are not always transparent for the global scientific space. The advantages and disadvantages of using scientometric databases as to editions that ensure the openness of scientific research results in terms of financial possibilities are considered. There singled out the managerial preference of the Information and analytical system “Bibliometrics of the Ukrainian Science”, which allows creating a bibliometric profile of a particular scientist through the environment of Google Scholar and improve the “visibility” ensuring both the improvement of his/her competitiveness and increase in the financial and economic support. There considered administrative advantages of associative complexes, similar to the Ivy League universities in America, and for the first time from the perspective of the strategiology of development there synthesized an approach regarding the creation of the given organizational structure, where the most famous classical universities would be concentrated, in Ukraine. The advantage and perspectivity of the proposed measures is the system formation of the management doctrine of financial and economic support for the scientific sphere, the optimization of using the scientific potential of the territory and ensuring its correspondence to the needs of consumers and business, the activization of publication openness and efficiency

  11. Mechanical Control of ATP Synthase Function: Activation Energy Difference between Tight and Loose Binding Sites

    KAUST Repository

    Beke-Somfai, Tamás

    2010-01-26

    Despite exhaustive chemical and crystal structure studies, the mechanistic details of how FoF1-ATP synthase can convert mechanical energy to chemical, producing ATP, are still not fully understood. On the basis of quantum mechanical calculations using a recent highresolution X-ray structure, we conclude that formation of the P-O bond may be achieved through a transition state (TS) with a planar PO3 - ion. Surprisingly, there is a more than 40 kJ/mol difference between barrier heights of the loose and tight binding sites of the enzyme. This indicates that even a relatively small change in active site conformation, induced by the γ-subunit rotation, may effectively block the back reaction in βTP and, thus, promote ATP. © 2009 American Chemical Society.

  12. General safety guidelines for looking for a low mass activity-long life waste storage site

    International Nuclear Information System (INIS)

    2008-01-01

    The objective of this document is to define general guidelines which must be followed during the stages of search for a site and stages of design of a storage facility for low activity-long life radioactive wastes, in order to ensure its safety after closure. After having specified the considered wastes, geological shapes, and situations, this document defines the fundamental objective and the associated criteria (protection against chemical risk, radioprotection). It presents the design aspects related to safety (safety principles and functions, waste packages, public works engineering, geological environment, storage concepts). The last part deals with the safety demonstration after site closure which includes the control of some components, the assessment of disturbances in the storage facility or due to its presence, the taking of uncertainty and sensitivity studies into account, the influence of natural events

  13. Three dimensional visualization in support of Yucca Mountain Site characterization activities

    International Nuclear Information System (INIS)

    Brickey, D.W.

    1992-01-01

    An understanding of the geologic and hydrologic environment for the proposed high-level nuclear waste repository at Yucca Mountain, NV is a critical component of site characterization activities. Conventional methods allow visualization of geologic data in only two or two and a half dimensions. Recent advances in computer workstation hardware and software now make it possible to create interactive three dimensional visualizations. Visualization software has been used to create preliminary two-, two-and-a-half-, and three-dimensional visualizations of Yucca Mountain structure and stratigraphy. The three dimensional models can also display lithologically dependent or independent parametric data. Yucca Mountain site characterization studies that will be supported by this capability include structural, lithologic, and hydrologic modeling, and repository design

  14. Molecular Active Sites in Heterogeneous Ir-La/C-Catalyzed Carbonylation of Methanol to Acetates.

    Science.gov (United States)

    Kwak, Ja Hun; Dagle, Robert; Tustin, Gerald C; Zoeller, Joseph R; Allard, Lawrence F; Wang, Yong

    2014-02-06

    We report that when Ir and La halides are deposited on carbon, exposure to CO spontaneously generates a discrete molecular heterobimetallic structure, containing an Ir-La covalent bond that acts as a highly active, selective, and stable heterogeneous catalyst for the carbonylation of methanol to produce acetic acid. This catalyst exhibits a very high productivity of ∼1.5 mol acetyl/mol Ir·s with >99% selectivity to acetyl (acetic acid and methyl acetate) without detectable loss in activity or selectivity for more than 1 month of continuous operation. The enhanced activity can be mechanistically rationalized by the presence of La within the ligand sphere of the discrete molecular Ir-La heterobimetallic structure, which acts as a Lewis acid to accelerate the normally rate-limiting CO insertion in Ir-catalyzed carbonylation. Similar approaches may provide opportunities for attaining molecular (single site) behavior similar to homogeneous catalysis on heterogeneous surfaces for other industrial applications.

  15. Structure of TSA2 reveals novel features of the active-site loop of peroxiredoxins

    DEFF Research Database (Denmark)

    Nielsen, Maja Holch; Kidmose, Rune Thomas; Jenner, Lasse Bohl

    2016-01-01

    Saccharomyces cerevisiae TSA2 belongs to the family of typical 2-Cys peroxiredoxins, a ubiquitously expressed family of redox-active enzymes that utilize a conserved peroxidatic cysteine to reduce peroxides. Typical 2-Cys peroxiredoxins have been shown to be involved in protection against oxidative...... stress and in hydrogen peroxide signalling. Furthermore, several 2-Cys peroxiredoxins, including S. cerevisiae TSA1 and TSA2, are able to switch to chaperone activity upon hyperoxidation of their peroxidatic cysteine. This makes the sensitivity to hyperoxidation of the peroxidatic cysteine a very....... This requires a local unfolding of the active site and the C-terminus. The balance between the fully folded and locally unfolded conformations is of key importance for the reactivity and sensitivity to hyperoxidation of the different peroxiredoxins. Here, the structure of a C48S mutant of TSA2 from S...

  16. Predicting Multicomponent Adsorption Isotherms in Open-Metal Site Materials Using Force Field Calculations Based on Energy Decomposed Density Functional Theory.

    Science.gov (United States)

    Heinen, Jurn; Burtch, Nicholas C; Walton, Krista S; Fonseca Guerra, Célia; Dubbeldam, David

    2016-12-12

    For the design of adsorptive-separation units, knowledge is required of the multicomponent adsorption behavior. Ideal adsorbed solution theory (IAST) breaks down for olefin adsorption in open-metal site (OMS) materials due to non-ideal donor-acceptor interactions. Using a density-function-theory-based energy decomposition scheme, we develop a physically justifiable classical force field that incorporates the missing orbital interactions using an appropriate functional form. Our first-principles derived force field shows greatly improved quantitative agreement with the inflection points, initial uptake, saturation capacity, and enthalpies of adsorption obtained from our in-house adsorption experiments. While IAST fails to make accurate predictions, our improved force field model is able to correctly predict the multicomponent behavior. Our approach is also transferable to other OMS structures, allowing the accurate study of their separation performances for olefins/paraffins and further mixtures involving complex donor-acceptor interactions. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Effect of Remediation Parameters on in-Air Ambient Dose Equivalent Rates When Remediating Open Sites with Radiocesium-contaminated Soil.

    Science.gov (United States)

    Malins, Alex; Kurikami, Hiroshi; Kitamura, Akihiro; Machida, Masahiko

    2016-10-01

    Calculations are reported for ambient dose equivalent rates [H˙*(10)] at 1 m height above the ground surface before and after remediating radiocesium-contaminated soil at wide and open sites. The results establish how the change in H˙*(10) upon remediation depends on the initial depth distribution of radiocesium within the ground, on the size of the remediated area, and on the mass per unit area of remediated soil. The remediation strategies considered were topsoil removal (with and without recovering with a clean soil layer), interchanging a topsoil layer with a subsoil layer, and in situ mixing of the topsoil. The results show the ratio of the radiocesium components of H˙*(10) post-remediation relative to their initial values (residual dose factors). It is possible to use the residual dose factors to gauge absolute changes in H˙*(10) upon remediation. The dependency of the residual dose factors on the number of years elapsed after fallout deposition is analyzed when remediation parameters remain fixed and radiocesium undergoes typical downward migration within the soil column.

  18. Characteristics of Ambient Black Carbon Mass and Size-Resolved Particle Number Concentrations during Corn Straw Open-Field Burning Episode Observations at a Rural Site in Southern Taiwan.

    Science.gov (United States)

    Cheng, Yu-Hsiang; Yang, Li-Sing

    2016-07-08

    Information on the effect of open-field burning of agricultural residues on ambient black carbon (BC) mass and size-resolved particle number concentrations is scarce. In this study, to understand the effect of such open-field burning on short-term air quality, real-time variations of the BC mass and size-resolved particle number concentrations were monitored before and during a corn straw open-field burning episode at a rural site. Correlations between the BC mass and size-resolved particle number concentrations during the episode were investigated. Moreover, the particle number size distribution and absorption Ångström exponent were determined for obtaining the characteristics of aerosol emissions from the corn straw open-field burning. The results can be used to address public health concerns and as a reference for managing similar episodes of open-field burning of agricultural residues.

  19. Active site studies of Escherichia coli 2-keto-4-hydroxyglutarate aldolase

    International Nuclear Information System (INIS)

    Vlahos, C.J.

    1987-01-01

    The data presented delineate the complete amino acid sequence of E. coli KHG aldolase and also identify Lys-133, Glu-45, and Arg-49 as aminoacyl residues required for catalytic activity. Incubation of E. coli KHG aldolase with [ 14 C]pyruvate in the presence of NaCNBH 3 results in the incorporation of one mol of 14 C per mol of enzyme subunit. Digestion of this enzyme-adduct with trypsin, followed by purification of the peptides, allowed for the isolation of a unique radioactive peptide. Its amino acid sequence showed that the pyruvate-binding (i.e., Schiff-base forming) lysine residue is located at position 133 in the intact enzyme. E. coli KHG aldolase activity is lost when the enzyme is reacted with bromopyruvate; saturation kinetics are observed. The substrates, pyruvate and KHG, protect the enzyme from inactivation. Both facts suggest that the reagent is active-site specific. Incubation of the aldolase with [3- 14 C]bromopyruvate is associated with a concomitant loss of enzymatic activity and esterification of Glu-45; if the enzyme is denatured in the presence of excess bromopyruvate, Cys-159 and Cys-180 are also alkylated. Blocking the active-site lysine residue with pyruvate prevents Glu-45 from being esterified but does not eliminate alkylation of these two cysteine residues. Woodward's Reagent K was also found to inactivate the aldolase under conditions that are usually specific for carboxyl group modification. This aldolase is also inactivated by 1,2-cyclohexanedione. Loss of enzymatic activity occurs concomitantly with modification of one arginine residue per enzyme subunit. Treatment of the aldolase with the arginine-specific reagent, 4-(oxyacetyl)phenoxyacetic acid, followed by digestion with trypsin allowed for the isolation of a unique peptide and the identification of Arg-49 as the specific residue involved

  20. Identification of a Second Site of Pyrrolizidine Alkaloid Biosynthesis in Comfrey to Boost Plant Defense in Floral Stage1,2[OPEN

    Science.gov (United States)

    Stegemann, Thomas; Sievert, Christian

    2017-01-01

    Pyrrolizidine alkaloids (PAs) are toxic secondary metabolites that are found in several distantly related families of the angiosperms. The first specific step in PA biosynthesis is catalyzed by homospermidine synthase (HSS), which has been recruited several times independently by duplication of the gene encoding deoxyhypusine synthase, an enzyme involved in the posttranslational activation of the eukaryotic initiation factor 5A. HSS shows highly diverse spatiotemporal gene expression in various PA-producing species. In comfrey (Symphytum officinale; Boraginaceae), PAs are reported to be synthesized in the roots, with HSS being localized in cells of the root endodermis. Here, we show that comfrey plants activate a second site of HSS expression when inflorescences start to develop. HSS has been localized in the bundle sheath cells of specific leaves. Tracer feeding experiments have confirmed that these young leaves express not only HSS but the whole PA biosynthetic route. This second site of PA biosynthesis results in drastically increased PA levels within the inflorescences. The boost of PA biosynthesis is proposed to guarantee optimal protection especially of the reproductive structures. PMID:28275146

  1. Activities of the senspol and NICOLE network concerning field investigation at contaminated sites

    Energy Technology Data Exchange (ETDEWEB)

    Ree, C.C.D.F. von [GeoDelft, AB Delft (Netherlands); Alcock, S. [Cranfield Univ. of Silsoe, Bedfordshire (United Kingdom)

    2003-07-01

    At a European level several networks can be identified aimed at developments and exchange of knowledge relevant to sustainable management of the subsurface. Based on the common interests in the field of site characterisation and monitoring the SENSPOL and NICOLE networks have established links resulting in cooperation in several project-activities. In this presentation two projects will be addressed: - Seville technicalmeeting (Aznacollar mining site). - Bridging gaps between sensor developers and (end) users in a pragmatic approach (GAPS-project). The goal of the Seville technical meeting was to apply the latest sensing technologies at a site contaminated by metal mining activities, to properly evaluate the advances and limitations in the monitoring of contaminated sites for sustainable land management and to determine further steps to commercial exploitation. Some 17 different instruments have been brought including: - Electrochemical sensors using different forms of anodic stripping voltammetry and constant current chronopotentiometry combined with several types of screen printed electrodes. - An amperometric biosensor using screen printed electrodes, which measures toxicity by inhibition effects on urease and its sensitive to Hg(II), Ag(I), Cu(I) and to a lesser extent to Pb(II), Zn(II) and Cd(II) and a selectrochemical DNA biosensor measuring overall toxicity. - A luminescent bacterial sensors for measuring the bioavailable fraction of Cd, Pb, Zn, Cu, As, and Hg, and a bioluminescent fiber optic sensor for Hg and As. - Toxicity testing instruments (Checklight 'ToxScreen Multi-Shot Test, ToxAlert {sup registered} 100 and ToxAlert {sup registered} 10) - A fieldprobe for pH, EC, TDS measurement - A lead automatic analyser AQUAMET using a ion-selective electrode. - Pulse-neutron borehole device in which interaction of neutrons with the surrounding medium can be used to monitor changes. In a two-day field session on the mining site participants were provided

  2. The Open Science Grid

    Energy Technology Data Exchange (ETDEWEB)

    Pordes, Ruth; /Fermilab; Kramer, Bill; Olson, Doug; / /LBL, Berkeley; Livny, Miron; Roy, Alain; /Wisconsin U., Madison; Avery, Paul; /Florida U.; Blackburn, Kent; /Caltech; Wenaus, Torre; /Brookhaven; Wurthwein, Frank; /UC, San Diego; Gardner, Rob; Wilde, Mike; /Chicago U. /Indiana U.

    2007-06-01

    The Open Science Grid (OSG) provides a distributed facility where the Consortium members provide guaranteed and opportunistic access to shared computing and storage resources. OSG provides support for and evolution of the infrastructure through activities that cover operations, security, software, troubleshooting, addition of new capabilities, and support for existing and engagement with new communities. The OSG SciDAC-2 project provides specific activities to manage and evolve the distributed infrastructure and support its use. The innovative aspects of the project are the maintenance and performance of a collaborative (shared & common) petascale national facility over tens of autonomous computing sites, for many hundreds of users, transferring terabytes of data a day, executing tens of thousands of jobs a day, and providing robust and usable resources for scientific groups of all types and sizes. More information can be found at the OSG web site: www.opensciencegrid.org.

  3. The active site of oxidative phosphorylation and the origin of hyperhomocysteinemia in aging and dementia.

    Science.gov (United States)

    McCully, Kilmer S

    2015-01-01

    The active site of oxidative phosphorylation and adenosine triphosphate (ATP) synthesis in mitochondria is proposed to consist of two molecules of thioretinamide bound to cobalamin, forming thioretinaco, complexed with ozone, oxygen, nicotinamide adenine dinucleotide. and inorganic phosphate, TR2CoO3O2NAD(+)H2PO4(-). Reduction of the pyridinium nitrogen of the nicotinamide group by an electron from electron transport complexes initiates polymerization of phosphate with adenosine diphosphate, yielding nicotinamide riboside and ATP bound to thioretinaco ozonide oxygen. A second electron reduces oxygen to hydroperoxyl radical, releasing ATP from the active site. A proton gradient is created within F1F0 ATPase complexes of mitochondria by reaction of protons with reduced nicotinamide riboside and with hydroperoxyl radical, yielding reduced nicotinamide riboside and hydroperoxide. The hyperhomocysteinemia of aging and dementia is attributed to decreased synthesis of adenosyl methionine by thioretinaco ozonide and ATP, causing decreased allosteric activation of cystathionine synthase and decreased allosteric inhibition of methylenetetrahydrofolate reductase and resulting in dysregulation of methionine metabolism. © 2015 by the Association of Clinical Scientists, Inc.

  4. Active Edge Sites Engineering in Nickel Cobalt Selenide Solid Solutions for Highly Efficient Hydrogen Evolution

    KAUST Repository

    Xia, Chuan

    2017-01-06

    An effective multifaceted strategy is demonstrated to increase active edge site concentration in NiCoSe solid solutions prepared by in situ selenization process of nickel cobalt precursor. The simultaneous control of surface, phase, and morphology result in as-prepared ternary solid solution with extremely high electrochemically active surface area (C = 197 mF cm), suggesting significant exposure of active sites in this ternary compound. Coupled with metallic-like electrical conductivity and lower free energy for atomic hydrogen adsorption in NiCoSe, identified by temperature-dependent conductivities and density functional theory calculations, the authors have achieved unprecedented fast hydrogen evolution kinetics, approaching that of Pt. Specifically, the NiCoSe solid solutions show a low overpotential of 65 mV at -10 mV cm, with onset potential of mere 18 mV, an impressive small Tafel slope of 35 mV dec, and a large exchange current density of 184 μA cm in acidic electrolyte. Further, it is shown that the as-prepared NiCoSe solid solution not only works very well in acidic electrolyte but also delivers exceptional hydrogen evolution reaction (HER) performance in alkaline media. The outstanding HER performance makes this solid solution a promising candidate for mass hydrogen production.

  5. Structural changes in human cytomegalovirus cytoplasmic assembly sites in the absence of UL97 kinase activity

    International Nuclear Information System (INIS)

    Azzeh, Maysa; Honigman, Alik; Taraboulos, Albert; Rouvinski, Alexander; Wolf, Dana G.

    2006-01-01

    Studies of human cytomegalovirus (HCMV) UL97 kinase deletion mutant (ΔUL97) indicated a multi-step role for this kinase in early and late phases of the viral life cycle, namely, in DNA replication, capsid maturation and nuclear egress. Here, we addressed its possible involvement in cytoplasmic steps of HCMV assembly. Using the ΔUL97 and the UL97 kinase inhibitor NGIC-I, we demonstrate that the absence of UL97 kinase activity results in a modified subcellular distribution of the viral structural protein assembly sites, from compact structures impacting upon the nucleus to diffuse perinuclear structures punctuated by large vacuoles. Infection by either wild type or ΔUL97 viruses induced a profound reorganization of wheat germ agglutinin (WGA)-positive Golgi-related structures. Importantly, the viral-induced Golgi remodeling along with the reorganization of the nuclear architecture was substantially altered in the absence of UL97 kinase activity. These findings suggest that UL97 kinase activity might contribute to organization of the viral cytoplasmic assembly sites

  6. Cys-X scanning for expansion of active-site residues and modulation of catalytic functions in a glutathione transferase.

    Science.gov (United States)

    Norrgård, Malena A; Hellman, Ulf; Mannervik, Bengt

    2011-05-13

    We propose Cys-X scanning as a semisynthetic approach to engineer the functional properties of recombinant proteins. As in the case of Ala scanning, key residues in the primary structure are identified, and one of them is replaced by Cys via site-directed mutagenesis. The thiol of the residue introduced is subsequently modified by alternative chemical reagents to yield diverse Cys-X mutants of the protein. This chemical approach is orthogonal to Ala or Cys scanning and allows the expansion of the repertoire of amino acid side chains far beyond those present in natural proteins. In its present application, we have introduced Cys-X residues in human glutathione transferase (GST) M2-2, replacing Met-212 in the substrate-binding site. To achieve selectivity of the modifications, the Cys residues in the wild-type enzyme were replaced by Ala. A suite of simple substitutions resulted in a set of homologous Met derivatives ranging from normethionine to S-heptyl-cysteine. The chemical modifications were validated by HPLC and mass spectrometry. The derivatized mutant enzymes were assayed with alternative GST substrates representing diverse chemical reactions: aromatic substitution, epoxide opening, transnitrosylation, and addition to an ortho-quinone. The Cys substitutions had different effects on the alternative substrates and differentially enhanced or suppressed catalytic activities depending on both the Cys-X substitution and the substrate assayed. As a consequence, the enzyme specificity profile could be changed among the alternative substrates. The procedure lends itself to large-scale production of Cys-X modified protein variants.

  7. Chemotactic Activity of Cyclophilin A in the Skin Mucus of Yellow Catfish (Pelteobagrus fulvidraco) and Its Active Site for Chemotaxis

    Science.gov (United States)

    Dawar, Farman Ullah; Tu, Jiagang; Xiong, Yang; Lan, Jiangfeng; Dong, Xing Xing; Liu, Xiaoling; Khattak, Muhammad Nasir Khan; Mei, Jie; Lin, Li

    2016-01-01

    Fish skin mucus is a dynamic barrier for invading pathogens with a variety of anti-microbial enzymes, including cyclophilin A (CypA), a multi-functional protein with peptidyl-prolyl cis/trans isomerase (PPIase) activity. Beside various other immunological functions, CypA induces leucocytes migration in vitro in teleost. In the current study, we have discovered several novel immune-relevant proteins in yellow catfish skin mucus by mass spectrometry (MS). The CypA present among them was further detected by Western blot. Moreover, the CypA present in the skin mucus displayed strong chemotactic activity for yellow catfish leucocytes. Interestingly, asparagine (like arginine in mammals) at position 69 was the critical site in yellow catfish CypA involved in leucocyte attraction. These novel efforts do not only highlight the enzymatic texture of skin mucus, but signify CypA to be targeted for anti-inflammatory therapeutics. PMID:27589721

  8. Chemotactic Activity of Cyclophilin A in the Skin Mucus of Yellow Catfish (Pelteobagrus fulvidraco and Its Active Site for Chemotaxis

    Directory of Open Access Journals (Sweden)

    Farman Ullah Dawar

    2016-08-01

    Full Text Available Fish skin mucus is a dynamic barrier for invading pathogens with a variety of anti-microbial enzymes, including cyclophilin A (CypA, a multi-functional protein with peptidyl-prolyl cis/trans isomerase (PPIase activity. Beside various other immunological functions, CypA induces leucocytes migration in vitro in teleost. In the current study, we have discovered several novel immune-relevant proteins in yellow catfish skin mucus by mass spectrometry (MS. The CypA present among them was further detected by Western blot. Moreover, the CypA present in the skin mucus displayed strong chemotactic activity for yellow catfish leucocytes. Interestingly, asparagine (like arginine in mammals at position 69 was the critical site in yellow catfish CypA involved in leucocyte attraction. These novel efforts do not only highlight the enzymatic texture of skin mucus, but signify CypA to be targeted for anti-inflammatory therapeutics.

  9. Determining the constraints and challenges of vermicompost technology development: the case of active sites in Kermanshah Province

    Directory of Open Access Journals (Sweden)

    mariyeh sahraie

    2015-11-01

    Full Text Available Entrepreneurial enterprises have the potential to create new business opportunities and provide alternative income sources for rural populations. Vermicompost production provides diversified income for farmers using livestock manure as well as agricultural residues and household wastes. The economic, social, cultural, and environmental importance of vermicompost technology has made it a unique opportunity for rural households to maintain food security and sustainable livelihood. However, this technology has not yet been diffused across rural population in the Kermanshah Province. Therefore, the purpose of this design was to determine the constraints and challenges of vermicompost technology development in the case of active sites in the Kermanshah Province by using a qualitative study and a well-established theoretical approach. The population for this study comprised of all vermicompost producers in the Kermanshah province (N=52. A purposeful sample of 21 producers with a minimum of two years of experience in vermicompost production participated in the study. Data was collected using deep and semi-structured interviews. Open, axial, and selective coding was used to analyze the data. The results revealed that the following constraints and challenges impede the development of vermicompost technology: low production during the winter, high prices for the customers, lack of technical and marketing skills among the producers, lack of efficient support and monitoring, weak adoption process due to cultural beliefs, and inefficient extension and diffusion by public institutions.

  10. Exquisite Modulation of the Active Site of Methanocaldococcus jannaschii Adenylosuccinate Synthetase in Forward Reaction Complexes.

    Science.gov (United States)

    Karnawat, Vishakha; Mehrotra, Sonali; Balaram, Hemalatha; Puranik, Mrinalini

    2016-05-03

    In enzymes that conduct complex reactions involving several substrates and chemical transformations, the active site must reorganize at each step to complement the transition state of that chemical step. Adenylosuccinate synthetase (ADSS) utilizes a molecule each of guanosine 5'-monophosphate (GTP) and aspartate to convert inosine 5'-monophosphate (IMP) into succinyl adenosine 5'-monophosphate (sAMP) through several kinetic intermediates. Here we followed catalysis by ADSS through high-resolution vibrational spectral fingerprints of each substrate and intermediate involved in the forward reaction. Vibrational spectra show differential ligand distortion at each step of catalysis, and band positions of substrates are influenced by binding of cosubstrates. We found that the bound IMP is distorted toward its N1-deprotonated form even in the absence of any other ligands. Several specific interactions between GTP and active-site amino acid residues result in large Raman shifts and contribute substantially to intrinsic binding energy. When both IMP and GTP are simultaneously bound to ADSS, IMP is converted into an intermediate 6-phosphoryl inosine 5'-monophosphate (6-pIMP). The 6-pIMP·ADSS complex was found to be stable upon binding of the third ligand, hadacidin (HDA), an analogue of l-aspartate. We find that in the absence of HDA, 6-pIMP is quickly released from ADSS, is unstable in solution, and converts back into IMP. HDA allosterically stabilizes ADSS through local conformational rearrangements. We captured this complex and determined the spectra and structure of 6-pIMP in its enzyme-bound state. These results provide important insights into the exquisite tuning of active-site interactions with changing substrate at each kinetic step of catalysis.

  11. Generation of 3D templates of active sites of proteins with rigid prosthetic groups.

    Science.gov (United States)

    Nebel, Jean-Christophe

    2006-05-15

    With the increasing availability of protein structures, the generation of biologically meaningful 3D patterns from the simultaneous alignment of several protein structures is an exciting prospect: active sites could be better understood, protein functions and protein 3D structures could be predicted more accurately. Although patterns can already be generated at the fold and topological levels, no system produces high-resolution 3D patterns including atom and cavity positions. To address this challenge, our research focuses on generating patterns from proteins with rigid prosthetic groups. Since these groups are key elements of protein active sites, the generated 3D patterns are expected to be biologically meaningful. In this paper, we present a new approach which allows the generation of 3D patterns from proteins with rigid prosthetic groups. Using 237 protein chains representing proteins containing porphyrin rings, our method was validated by comparing 3D templates generated from homologues with the 3D structure of the proteins they model. Atom positions were predicted reliably: 93% of them had an accuracy of 1.00 A or less. Moreover, similar results were obtained regarding chemical group and cavity positions. Results also suggested our system could contribute to the validation of 3D protein models. Finally, a 3D template was generated for the active site of human cytochrome P450 CYP17, the 3D structure of which is unknown. Its analysis showed that it is biologically meaningful: our method detected the main patterns of the cytochrome P450 superfamily and the motifs linked to catalytic reactions. The 3D template also suggested the position of a residue, which could be involved in a hydrogen bond with CYP17 substrates and the shape and location of a cavity. Comparisons with independently generated 3D models comforted these hypotheses. Alignment software (Nestor3D) is available at http://www.kingston.ac.uk/~ku33185/Nestor3D.html

  12. Application of instrumental neutron activation analysis to study ceramic fragments from Damascus Castle site, Syria

    International Nuclear Information System (INIS)

    Bakraji, E.H.

    2005-01-01

    Thirty-three archaeological ceramic fragment samples from Damascus Castle archaeological site, Damascus city, Syria, were analyzed using instrumental neutron activation analysis (INAA). 36 elements were determined. These elemental concentrations have been processed using two multivariate statistical methods, cluster and factor analysis in order to determine similarities and correlation between the various samples. Factor analysis confirms that 84.8% of the ceramics samples classified by cluster analysis are correctly classified by cluster analysis. The results provided persuasive evidence that Castle pottery used at least four different clay sources. Moreover, by means of systematic local analysis it will be clear whether these sources are local or not. (author)

  13. Iron Is the Active Site in Nickel/Iron Water Oxidation Electrocatalysts

    Directory of Open Access Journals (Sweden)

    Bryan M. Hunter

    2018-04-01

    Full Text Available Efficient catalysis of the oxygen-evolution half-reaction (OER is a pivotal requirement for the development of practical solar-driven water splitting devices. Heterogeneous OER electrocatalysts containing first-row transition metal oxides and hydroxides have attracted considerable recent interest, owing in part to the high abundance and low cost of starting materials. Among the best performing OER electrocatalysts are mixed Fe/Ni layered double hydroxides (LDH. A review of the available experimental data leads to the conclusion that iron is the active site for [NiFe]-LDH-catalyzed alkaline water oxidation.

  14. Comparison of NMR and crystal structures highlights conformational isomerism in protein active sites

    International Nuclear Information System (INIS)

    Serrano, Pedro; Pedrini, Bill; Geralt, Michael; Jaudzems, Kristaps; Mohanty, Biswaranjan; Horst, Reto; Herrmann, Torsten; Elsliger, Marc-André; Wilson, Ian A.; Wüthrich, Kurt

    2010-01-01

    Tools for systematic comparisons of NMR and crystal structures developed by the JCSG were applied to two proteins with known functions: the T. maritima anti-σ factor antagonist TM1081 and the mouse γ-glutamylamine cyclotransferase A2LD1 (gi:13879369). In an attempt to exploit the complementarity of crystal and NMR data, the combined use of the two structure-determination techniques was explored for the initial steps in the challenge of searching proteins of unknown functions for putative active sites. The JCSG has recently developed a protocol for systematic comparisons of high-quality crystal and NMR structures of proteins. In this paper, the extent to which this approach can provide function-related information on the two functionally annotated proteins TM1081, a Thermotoga maritima anti-σ factor antagonist, and A2LD1 (gi:13879369), a mouse γ-glutamylamine cyclotransferase, is explored. The NMR structures of the two proteins have been determined in solution at 313 and 298 K, respectively, using the current JCSG protocol based on the software package UNIO for extensive automation. The corresponding crystal structures were solved by the JCSG at 100 K and 1.6 Å resolution and at 100 K and 1.9 Å resolution, respectively. The NMR and crystal structures of the two proteins share the same overall molecular architectures. However, the precision of the structure determination along the amino-acid sequence varies over a significantly wider range in the NMR structures than in the crystal structures. Thereby, in each of the two NMR structures about 65% of the residues have displacements below the average and in both proteins the less well ordered residues include large parts of the active sites, in addition to some highly solvent-exposed surface areas. Whereas the latter show increased disorder in the crystal and in solution, the active-site regions display increased displacements only in the NMR structures, where they undergo local conformational exchange on the

  15. How to awaken your nanomachines: Site-specific activation of focal adhesion kinases through ligand interactions

    KAUST Repository

    Walkiewicz, Katarzyna Wiktoria

    2015-06-17

    The focal adhesion kinase (FAK) and the related protein-tyrosine kinase 2-beta (Pyk2) are highly versatile multidomain scaffolds central to cell adhesion, migration, and survival. Due to their key role in cancer metastasis, understanding and inhibiting their functions are important for the development of targeted therapy. Because FAK and Pyk2 are involved in many different cellular functions, designing drugs with partial and function-specific inhibitory effects would be desirable. Here, we summarise recent progress in understanding the structural mechanism of how the tug-of-war between intramolecular and intermolecular interactions allows these protein ‘nanomachines’ to become activated in a site-specific manner.

  16. GTP plus water mimics ATP in the active site of protein kianse CK2

    DEFF Research Database (Denmark)

    Niefind, K; Pütter, M; Guerra, B

    1999-01-01

    The structures of the catalytic subunit of protein kinase CK2 from Zea mays complexed with Mg2+ and with analogs of ATP or GTP were determined to 2.2 A resolution. Unlike most other protein kinases, CK2 from various sources shows 'dual-cosubstrate specificity', that is, the ability to efficiently...... use either ATP or GTP as a cosubstrate. The structures of these complexes demonstrate that water molecules are critical to switch the active site of CK2 from an ATP- to a GTP-compatible state. An understanding of the structural basis of dual-cosubstrate specificity may help in the design of drugs...

  17. ROS-mediated PARP activity undermines mitochondrial function after permeability transition pore opening during myocardial ischemia-reperfusion.

    Science.gov (United States)

    Schriewer, Jacqueline M; Peek, Clara Bien; Bass, Joseph; Schumacker, Paul T

    2013-04-18

    Ischemia-reperfusion (I/R) studies have implicated oxidant stress, the mitochondrial permeability transition pore (mPTP), and poly(ADP-ribose) polymerase (PARP) as contributing factors in myocardial cell death. However, the interdependence of these factors in the intact, blood-perfused heart is not known. We therefore wanted to determine whether oxidant stress, mPTP opening, and PARP activity contribute to the same death pathway after myocardial I/R. A murine left anterior descending coronary artery (LAD) occlusion (30 minutes) and release (1 to 4 hours) model was employed. Experimental groups included controls and antioxidant-treated, mPTP-inhibited, or PARP-inhibited hearts. Antioxidant treatment prevented oxidative damage, mPTP opening, ATP depletion, and PARP activity, placing oxidant stress as the proximal death trigger. Genetic deletion of cyclophilin D (CypD(-/-)) prevented loss of total NAD(+) and PARP activity, and mPTP-mediated loss of mitochondrial function. Control hearts showed progressive mitochondrial depolarization and loss of ATP from 1.5 to 4 hours of reperfusion, but not outer mitochondrial membrane rupture. Neither genetic deletion of PARP-1 nor its pharmacological inhibition prevented the initial mPTP-mediated depolarization or loss of ATP, but PARP ablation did allow mitochondrial recovery by 4 hours of reperfusion. These results indicate that oxidant stress, the mPTP, and PARP activity contribute to a single death pathway after I/R in the heart. PARP activation undermines cell survival by preventing mitochondrial recovery after mPTP opening early in reperfusion. This suggests that PARP-mediated prolongation of mitochondrial depolarization contributes significantly to cell death via an energetic crisis rather than by mitochondrial outer membrane rupture.

  18. Basic Study for Active Nucleation Site Density Evaluation in Subcooled Flow Boiling

    International Nuclear Information System (INIS)