International Monetary Policy Coordination in a New Keynesian Model with NICE Features

Science.gov (United States)

Poutineau, Jean-Christophe; Vermandel, Gauthier

2018-01-01

The authors provide a static two-country new Keynesian model to teach two related questions in international macroeconomics: the international transmission of unilateral monetary policy decisions and the gains coming from the coordination monetary rules. They concentrate on "normal times" and use a thoroughly graphical approach to…

Chemical reaction surface vibrational frequencies evaluated in curvilinear internal coordinates: Application to H + CH(4) H(2) + CH(3).

Science.gov (United States)

Banks, Simon T; Clary, David C

2009-01-14

We consider the general problem of vibrational analysis at nonglobally optimized points on a reduced dimensional reaction surface. We discuss the importance of the use of curvilinear internal coordinates to describe molecular motion and derive a curvilinear projection operator to remove the contribution of nonzero gradients from the Hessian matrix. Our projection scheme is tested in the context of a two-dimensional quantum scattering calculation for the reaction H + CH(4) --> H(2) + CH(3) and its reverse H(2) + CH(3) --> H + CH(4). Using zero-point energies calculated via rectilinear and curvilinear projections we construct two two-dimensional, adiabatically corrected, ab initio reaction surfaces for this system. It is shown that the use of curvilinear coordinates removes unphysical imaginary frequencies observed with rectilinear projection and leads to significantly improved thermal rate constants for both the forward and reverse reactions.

International Journal of Molecular Science 2017 Best Paper Award.

Science.gov (United States)

2017-11-02

The Editors of the International Journal of Molecular Sciences have established the Best Paper Award to recognize the most outstanding articles published in the areas of molecular biology, molecular physics and chemistry that have been published in the International Journal of Molecular Sciences. The prizes have been awarded annually since 2012 [...].

Development of an International School Nurse Asthma Care Coordination Model

Science.gov (United States)

Garwick, Ann W.; Svavarsdóttir, Erla Kolbrun; Seppelt, Ann M.; Looman, Wendy S.; Anderson, Lori S.; Örlygsdóttir, Brynja

2015-01-01

Aim To identify and compare how school nurses in Reykjavik, Iceland and St. Paul, Minnesota coordinated care for youth with asthma (ages 10–18) and to develop an asthma school nurse care coordination model. Background Little is known about how school nurses coordinate care for youth with asthma in different countries. Design A qualitative descriptive study design using focus group data. Methods Six focus groups with 32 school nurses were conducted in Reykjavik (n=17) and St. Paul (n=15) using the same protocol between September 2008 – January 2009. Descriptive content analytic and constant comparison strategies were used to categorize and compare how school nurses coordinated care, which resulted in the development of an International School Nurse Asthma Care Coordination Model. Findings Participants in both countries spontaneously described a similar asthma care coordination process that involved information gathering, assessing risk for asthma episodes, prioritizing health care needs and anticipating and planning for student needs at the individual and school levels. This process informed how they individualized symptom management, case management and/or asthma education. School nurses played a pivotal part in collaborating with families, school and health care professionals to ensure quality care for youth with asthma. Conclusions Results indicate a high level of complexity in school nurses’ approaches to asthma care coordination that were responsive to the diverse and changing needs of students in school settings. The conceptual model derived provides a framework for investigators to use in examining the asthma care coordination process of school nurses in other geographic locations. PMID:25223389

Development of an International School Nurse Asthma Care Coordination Model.

Science.gov (United States)

Garwick, Ann W; Svavarsdóttir, Erla Kolbrun; Seppelt, Ann M; Looman, Wendy S; Anderson, Lori S; Örlygsdóttir, Brynja

2015-03-01

To identify and compare how school nurses in Reykjavik, Iceland and St. Paul, Minnesota coordinated care for youth with asthma (ages 10-18) and to develop an asthma school nurse care coordination model. Little is known about how school nurses coordinate care for youth with asthma in different countries. A qualitative descriptive study design using focus group data. Six focus groups with 32 school nurses were conducted in Reykjavik (n = 17) and St. Paul (n = 15) using the same protocol between September 2008 and January 2009. Descriptive content analytic and constant comparison strategies were used to categorize and compare how school nurses coordinated care, which resulted in the development of an International School Nurse Asthma Care Coordination Model. Participants in both countries spontaneously described a similar asthma care coordination process that involved information gathering, assessing risk for asthma episodes, prioritizing healthcare needs and anticipating and planning for student needs at the individual and school levels. This process informed how they individualized symptom management, case management and/or asthma education. School nurses played a pivotal part in collaborating with families, school and healthcare professionals to ensure quality care for youth with asthma. Results indicate a high level of complexity in school nurses' approaches to asthma care coordination that were responsive to the diverse and changing needs of students in school settings. The conceptual model derived provides a framework for investigators to use in examining the asthma care coordination process of school nurses in other geographic locations. © 2014 John Wiley & Sons Ltd.

Building AN International Polar Data Coordination Network

Science.gov (United States)

Pulsifer, P. L.; Yarmey, L.; Manley, W. F.; Gaylord, A. G.; Tweedie, C. E.

2013-12-01

In the spirit of the World Data Center system developed to manage data resulting from the International Geophysical Year of 1957-58, the International Polar Year 2007-2009 (IPY) resulted in significant progress towards establishing an international polar data management network. However, a sustained international network is still evolving. In this paper we argue that the fundamental building blocks for such a network exist and that the time is right to move forward. We focus on the Arctic component of such a network with linkages to Antarctic network building activities. A review of an important set of Network building blocks is presented: i) the legacy of the IPY data and information service; ii) global data management services with a polar component (e.g. World Data System); iii) regional systems (e.g. Arctic Observing Viewer; iv) nationally focused programs (e.g. Arctic Observing Viewer, Advanced Cooperative Arctic Data and Information Service, Polar Data Catalogue, Inuit Knowledge Centre); v) programs focused on the local (e.g. Exchange for Local Observations and Knowledge of the Arctic, Geomatics and Cartographic Research Centre). We discuss current activities and results with respect to three priority areas needed to establish a strong and effective Network. First, a summary of network building activities reports on a series of productive meetings, including the Arctic Observing Summit and the Polar Data Forum, that have resulted in a core set of Network nodes and participants and a refined vision for the Network. Second, we recognize that interoperability for information sharing fundamentally relies on the creation and adoption of community-based data description standards and data delivery mechanisms. There is a broad range of interoperability frameworks and specifications available; however, these need to be adapted for polar community needs. Progress towards Network interoperability is reviewed, and a prototype distributed data systems is demonstrated. We

International Space Station Research for the Next Decade: International Coordination and Research Accomplishments

Science.gov (United States)

Thumm, Tracy L.; Robinson, Julie A.; Johnson-Green, Perry; Buckley, Nicole; Karabadzhak, George; Nakamura, Tai; Sorokin, Igor V.; Zell, Martin; Sabbagh, Jean

2011-01-01

During 2011, the International Space Station reached an important milestone in the completion of assembly and the shift to the focus on a full and continuous utilization mission in space. The ISS partnership itself has also met a milestone in the coordination and cooperation of utilization activities including research, technology development and education. We plan and track all ISS utilization activities jointly and have structures in place to cooperate on common goals by sharing ISS assets and resources, and extend the impacts and efficiency of utilization activities. The basic utilization areas on the ISS include research, technology development and testing, and education/outreach. Research can be categorized as applied research for future exploration, basic research taking advantage of the microgravity and open space environment, and Industrial R&D / commercial research focused at industrial product development and improvement. Technology development activities range from testing of new spacecraft systems and materials to the use of ISS as an analogue for future exploration missions to destinations beyond Earth orbit. This presentation, made jointly by all ISS international partners, will highlight the ways that international cooperation in all of these areas is achieved, and the overall accomplishments that have come as well as future perspectives from the cooperation. Recently, the partnership has made special efforts to increase the coordination and impact of ISS utilization that has humanitarian benefits. In this context the paper will highlight tentative ISS utilization developments in the areas of Earth remote sensing, medical technology transfer, and education/outreach.

Transition Metal Complexes Coordinated by Water Soluble Phosphane Ligands: How Cyclodextrins Can Alter the Coordination Sphere?

Directory of Open Access Journals (Sweden)

Michel Ferreira

2017-01-01

Full Text Available The behaviour of platinum(II and palladium(0 complexes coordinated by various hydrosoluble monodentate phosphane ligands has been investigated by 31P{1H} NMR spectroscopy in the presence of randomly methylated β-cyclodextrin (RAME-β-CD. This molecular receptor can have no impact on the organometallic complexes, induce the formation of phosphane low-coordinated complexes or form coordination second sphere species. These three behaviours are under thermodynamic control and are governed not only by the affinity of RAME-β-CD for the phosphane but also by the phosphane stereoelectronic properties. When observed, the low-coordinated complexes may be formed either via a preliminary decoordination of the phosphane followed by a complexation of the free ligand by the CD or via the generation of organometallic species complexed by CD which then lead to expulsion of ligands to decrease their internal steric hindrance.

Organization of the ITER Co-ordinated Technical Activities International Team

International Nuclear Information System (INIS)

2001-01-01

At its meeting in Toronto on 7 November 2001, the ITER Co-ordinated Technical Activities (CTA) project board took note of the organizational arrangements for the CTA International Team at the Garching and Naka joint work sites. The organization chart of the team remains almost unchanged from that of the ITER Engineering Design Activities (EDA). However, there is no special division responsible for plasma and field control. Activities in plasma control will be taken over by the Physics Unit. This newsletter also includes the ITER CTA International Team structure

Participation of a coordinating center pharmacy in a multicenter international study.

Science.gov (United States)

Jeon, Jihyun Esther; Mighty, Janet; Lane, Karen; McBee, Nichol; Majkowski, Ryan; Mayo, Steven; Hanley, Daniel

2016-11-15

The activities of a coordinating center pharmacy (CCP) supporting a multicenter, international clinical trial are described. Serving in a research support role comparable to that of a commercial clinical trial supply company, a CCP within the Johns Hopkins Hospital Investigational Drug Service (JHH IDS) uses its management expertise and infrastructure to support multicenter trials, such as the recently completed Clot Lysis: Evaluating Accelerated Resolution of Intraventricular Hemorrhage, Phase III (CLEAR III) trial. The role of the CCP staff in supporting the CLEAR III trial was overall investigational product (IP) management through coordination of IP-related operations to ensure high-quality care for study participants at study sites in the United States and abroad. For the CLEAR III trial, the CCP coordinated IP supply activities; provided education to site pharmacists; developed study-specific documents, including pharmacy manuals; communicated with trial stakeholders, including third-party IP distributors; monitored treatment assignments; and performed quality assurance monitoring to ensure compliance with institutional, state, federal, and international regulations regarding IP procurement and storage. Acting as a CCP for a multicenter international study poses a number of operational challenges while providing opportunities for the CCP to contribute to research of global importance and enrich the skill sets of its personnel. The development and implementation of the CCP at JHH IDS for the CLEAR III trial included several responsibilities, such as IP supply management, communication, and database, regulatory, and finance management. Copyright © 2016 by the American Society of Health-System Pharmacists, Inc. All rights reserved.

Bio-Optical sensors on Argo Floats. Reports of the international ocean-colour coordinating group

CSIR Research Space (South Africa)

Bernard, S

2011-01-01

Full Text Available The International Ocean-Colour Coordinating Group (IOCCG) is an international group of experts in the field of satellite ocean colour, acting as a liaison and communication channel between users, managers and agencies in the ocean-colour arena...

Internationally coordinated glacier monitoring: strategy and datasets

Science.gov (United States)

Hoelzle, Martin; Armstrong, Richard; Fetterer, Florence; Gärtner-Roer, Isabelle; Haeberli, Wilfried; Kääb, Andreas; Kargel, Jeff; Nussbaumer, Samuel; Paul, Frank; Raup, Bruce; Zemp, Michael

2014-05-01

Internationally coordinated monitoring of long-term glacier changes provide key indicator data about global climate change and began in the year 1894 as an internationally coordinated effort to establish standardized observations. Today, world-wide monitoring of glaciers and ice caps is embedded within the Global Climate Observing System (GCOS) in support of the United Nations Framework Convention on Climate Change (UNFCCC) as an important Essential Climate Variable (ECV). The Global Terrestrial Network for Glaciers (GTN-G) was established in 1999 with the task of coordinating measurements and to ensure the continuous development and adaptation of the international strategies to the long-term needs of users in science and policy. The basic monitoring principles must be relevant, feasible, comprehensive and understandable to a wider scientific community as well as to policy makers and the general public. Data access has to be free and unrestricted, the quality of the standardized and calibrated data must be high and a combination of detailed process studies at selected field sites with global coverage by satellite remote sensing is envisaged. Recently a GTN-G Steering Committee was established to guide and advise the operational bodies responsible for the international glacier monitoring, which are the World Glacier Monitoring Service (WGMS), the US National Snow and Ice Data Center (NSIDC), and the Global Land Ice Measurements from Space (GLIMS) initiative. Several online databases containing a wealth of diverse data types having different levels of detail and global coverage provide fast access to continuously updated information on glacier fluctuation and inventory data. For world-wide inventories, data are now available through (a) the World Glacier Inventory containing tabular information of about 130,000 glaciers covering an area of around 240,000 km2, (b) the GLIMS-database containing digital outlines of around 118,000 glaciers with different time stamps and

Coordination in International Manufacturing: The Role of Competitive Priorities and the Focus of Globally Dispersed Facilities

Directory of Open Access Journals (Sweden)

Ahmed Sayem

2018-04-01

Full Text Available In this era of globalization, network integration has received great attention, as it certainly has implications for the competitiveness in international manufacturing. A key issue in integration is to coordinate activities of dispersed facilities in a way to align the target of locating abroad and the priorities to be competitive. This study explores and clarifies the effect of competitive priority and focus of dispersed facilities on coordinating the activities in intra-firm network manufacturing. Based on a multiple case study involving four different companies manufacturing in globally dispersed facilities, the results confirm that both competitive priorities and specific focus of global manufacturing are important for selecting mechanisms to coordinate overseas facilities, with the competitive priorities ‘quality’ and ‘flexibility’ being the more important. Furthermore, the findings reveal that companies place emphasis on informal mechanisms to coordinate the low-cost focused facilities. In turn, the importance of formal mechanisms seems equal for coordinating both low-cost focused facilities and those focused on capturing a local market. Finally, the findings of this paper suggest that elements of competitive priority, as well as the focus of dispersed facilities, should be considered towards making the choice for mechanisms of coordination. The findings bear important implications for the effective coordination of activities in international manufacturing.

On the efficiency of climate policies international coordination

International Nuclear Information System (INIS)

Khalil, Helioui

2006-01-01

This article analyses the economic efficiency of climate policies international coordination acknowledging long term perspectives and political constraints. It questions the economic and political viability of emission trading with respect to market power and dynamic distortions. The latter proves more worrying. While one may reasonably expect national positions being decentralized, the Climate Convention cannot commit on long term emission objectives. As a consequence, there is room for strategic behaviour by governments. Structural public programs, crucial to curb long term emissions, are likely to be scaled down because governments expect post-2012 quotas to be revised according to observed trends. This might jeopardize the climate action and further weaken the political consensus it requires. Are carbon taxes a better policy option? It might be the case provided the tax is levied at the international level, but this option faces political obstacles. A hybrid scheme should realize a good compromise between economic efficiency and political acceptability. (author)

A coordinated molecular 'fishing' mechanism in heterodimeric kinesin

International Nuclear Information System (INIS)

Hou, Ruizheng; Wang, Zhisong

2010-01-01

Kar3 is a kinesin motor that facilitates chromosome segregation during cell division. Unlike many members of the kinesin superfamily, Kar3 forms a heterodimer with non-motor protein Vik1 or Cik1 in vivo. The heterodimers show ATP-driven minus-end directed motility along a microtubule (MT) lattice, and also serve as depolymerase at the MT ends. The molecular mechanisms behind this dual functionality remain mysterious. Here, a molecular mechanical model for the Kar3/Vik1 heterodimer based on structural, kinetic and motility data reveals a long-range chemomechanical transmission mechanism that resembles a familiar fishing tactic. By this molecular 'fishing', ATP-binding to Kar3 dissociates catalytically inactive Vik1 off MT to facilitate minus-end sliding of the dimer on the MT lattice. When the dimer binds the frayed ends of MT, the fishing channels ATP hydrolysis energy into MT deploymerization by a mechanochemical effect. The molecular fishing thus provides a unified mechanistic ground for Kar3's dual functionality. The fishing-promoted depolymerization differs from the depolymerase mechanisms found in homodimeric kinesins. The fishing also enables intermolecular coordination with a chemomechanical coupling feature different from the paradigmatic pattern of homodimeric motors. This study rationalizes some puzzling experimental observation, and suggests new experiments for further elucidation of the fishing mechanism

International co-ordinated research project on low and intermediate level waste package performance

Energy Technology Data Exchange (ETDEWEB)

Dayal, R. [International Atomic Energy Agency IAEA, Vienna (Austria)

2001-07-01

As part of IAEA's mandate to facilitate the transfer and exchange of information amongst Member States, the Agency is currently coordinating an international R and D project, involving 12 developed and developing countries, on Performance of Low and Intermediate Level Waste Packages under Disposal Conditions. This paper will review the current status of the Coordinated Research Project (CRP) and summarize the key findings of the work completed to date within the context of the CRP in the participating Member States. (author)

International co-ordinated research project on low and intermediate level waste package performance

International Nuclear Information System (INIS)

Dayal, R.

2001-01-01

As part of IAEA's mandate to facilitate the transfer and exchange of information amongst Member States, the Agency is currently coordinating an international R and D project, involving 12 developed and developing countries, on Performance of Low and Intermediate Level Waste Packages under Disposal Conditions. This paper will review the current status of the Coordinated Research Project (CRP) and summarize the key findings of the work completed to date within the context of the CRP in the participating Member States. (author)

A Systems Biology Approach to the Coordination of Defensive and Offensive Molecular Mechanisms in the Innate and Adaptive Host-Pathogen Interaction Networks.

Science.gov (United States)

Wu, Chia-Chou; Chen, Bor-Sen

2016-01-01

Infected zebrafish coordinates defensive and offensive molecular mechanisms in response to Candida albicans infections, and invasive C. albicans coordinates corresponding molecular mechanisms to interact with the host. However, knowledge of the ensuing infection-activated signaling networks in both host and pathogen and their interspecific crosstalk during the innate and adaptive phases of the infection processes remains incomplete. In the present study, dynamic network modeling, protein interaction databases, and dual transcriptome data from zebrafish and C. albicans during infection were used to infer infection-activated host-pathogen dynamic interaction networks. The consideration of host-pathogen dynamic interaction systems as innate and adaptive loops and subsequent comparisons of inferred innate and adaptive networks indicated previously unrecognized crosstalk between known pathways and suggested roles of immunological memory in the coordination of host defensive and offensive molecular mechanisms to achieve specific and powerful defense against pathogens. Moreover, pathogens enhance intraspecific crosstalk and abrogate host apoptosis to accommodate enhanced host defense mechanisms during the adaptive phase. Accordingly, links between physiological phenomena and changes in the coordination of defensive and offensive molecular mechanisms highlight the importance of host-pathogen molecular interaction networks, and consequent inferences of the host-pathogen relationship could be translated into biomedical applications.

International bulletin on atomic and molecular data for fusion

International Nuclear Information System (INIS)

Stephens, J.A.; Bannister, M.E.; Fuhr, J.

1999-12-01

The International Bulletin on Atomic and Molecular Data for Fusion is prepared by the Atomic and Molecular Data Unit of the International Atomic Energy Agency. It is distributed free of charge by the IAEA to assist in the development of fusion research and technology. In part 1, the Atomic and Molecular Data Information System (AMDIS) is presented. In Part 2, the indexed papers are listed separately for structure and spectra, atomic and molecular collisions and surface interactions. Part 3 contains all the bibliographic data for both the indexed and non-indexed references. Finally, the Author Index (part 4) refers to the bibliographic references contained in part 3

Challenges and opportunities in international molecular cancer prevention research: An ASPO Molecular Epidemiology and the Environment and International Cancer Prevention Interest Groups Report.

Science.gov (United States)

Epplein, Meira; Bostick, Roberd M; Mu, Lina; Ogino, Shuji; Braithwaite, Dejana; Kanetsky, Peter A

2014-11-01

The International Agency for Research on Cancer estimates that over half of the new cancer cases and almost two-thirds of the cancer deaths in 2012 occurred in low and middle income countries. To discuss the challenges and opportunities to reducing the burden of cancer worldwide, the Molecular Epidemiology and the Environment and the International Issues in Cancer Special Interest Groups joined forces to hold a session during the 38th Annual Meeting of the American Society of Preventive Oncology (March 2014, Arlington, Virginia). The session highlighted three topics of particular interest to molecular cancer prevention researchers working internationally, specifically: 1) biomarkers in cancer research; 2) environmental exposures and cancer; and 3) molecular pathological epidemiology. A major factor for successful collaboration illuminated during the discussion was the need for strong, committed, and reliable international partners. A key element of establishing such relationships is to thoroughly involve individual international collaborators in the development of the research question; engaged international collaborators are particularly motivated to champion and shepherd the project through all necessary steps, including issues relating to institutional review boards, political sensitivity, laboratory-based assays, and tumor subtyping. Also essential is allotting time for the building, maintaining, and investing in such relationships so that successful international collaborations may take root and bloom. While there are many challenges inherent to international molecular cancer research, the opportunities for furthering the science and prevention of cancer worldwide are great, particularly at this time of increasing cancer incidence and prevalence in low and middle income countries. ©2014 American Association for Cancer Research.

Coordinator, Evaluation Unit | IDRC - International Development ...

International Development Research Centre (IDRC) Digital Library (Canada)

Job Summary The Evaluation Unit Coordinator is expected to: ... with Centre policies and procedures and disseminates information to Unit staff on changes ... Coordinates the planning and organization of technical and administrative meetings ...

Process Coordination & Policy Officer | IDRC - International ...

International Development Research Centre (IDRC) Digital Library (Canada)

Such liaison aims to ensure that the operational aspects and requirements are taken into account. ... Business Process Coordination and Change Management ... plan and coordinating the update of the Division's work plan by all managers; ...

Project Coordinator - Karianet | IDRC - International Development ...

International Development Research Centre (IDRC) Digital Library (Canada)

Primary Duties or Responsibilities. The specific responsibilities of the Project Coordinator are grouped into three categories: Knowledge Management, Research Management and Project Management. As Knowledge Manager, the program coordinator will play a lead role in: Introducing and using knowledge management ...

An international co-ordinated research programme on nuclear accident dosimetry

International Nuclear Information System (INIS)

Flakus, F.N.

1977-01-01

Where fissile materials are being processed in quantities exceeding the minimum critical amounts, a radiation risk to workers arises from the possibility of criticality excursions. Despite the fact that techniques for preventing the occurende of such accidental excursions have reached very high standards it is generally agreed that the availability of suitable nuclear accident dosimetry (NAD) systems is very important. Following the recommendations of an Advisory Group meeting on NAD, the IAEA had established in 1969 an international coordinated research programme on NAD systems and elaborating standarized systems. A large number of research groups from 14 Member States throughout the world participated in this co-ordinated work. Since 1970 four international multilaboratory intercomparison experiments on NAD have been organized and the response of a variety of dosimeters examined in different neutron spectra under simulated accident conditions at Valduc (France), Oak Ridge (USA), Vinca (Yugoslavia) and Harwell (UK). The results achieved in these intercomparison studies show that NAD systems have been substantially improved and that several systems are available now in a number of laboratories throughout the world that perform within the criteria laid down by the initiating advisory group in 1969. A compendium of neutron leakage spectra has also been elaborated for facilitating the determination of dose from readings of detectors exposed to various neutron fields in criticality accidents

Opportunities and challenges of international coordination efforts in space exploration - the DLR perspective

Science.gov (United States)

Boese, Andrea

The German Aerospace Center and German Space Agency DLR has defined internationalisation one of the four pillars of its corporate strategy. Driven by global challenges, national space agencies like DLR are seeking partnerships to contribute to essential societal needs, such as human welfare, sustainability of life, economic development, security, culture and knowledge. All partnerships with both traditional and non-traditional partners must reflect a balanced approach between national requirements and needs of the international community. In view of the challenges emerging from this complexity, endeavours like space exploration must be built on mutual cooperation especially in a challenging political environment. Effective and efficient exploitation of existing expertise, human resources, facilities and infrastructures require consolidated actions of stakeholders, interest groups and authorities. This basic principle applies to any space exploration activity. DLR is among the agencies participating in the International Space Exploration Coordination Group (ISECG) from its beginning in 2007. The strategic goals of DLR regarding space exploration correspond to the purpose of ISECG as a forum to share objectives and plans to take concrete steps towards partnerships for a globally coordinated effort in space exploration. DLR contributes to ISECG publications especially the “Global Exploration Roadmap” and the “Benefits stemming from Space Exploration” to see those messages reflected that support cooperation with internal and external exploration stakeholders in science and technology and communication with those in politics and society. DLR provides input also to other groups engaging in space exploration. However, taking into account limited resources and expected results, the effectiveness of multiple coordination and planning mechanisms needs to be discussed.

Internationally coordinated glacier monitoring - a timeline since 1894

Science.gov (United States)

Nussbaumer, Samuel U.; Armstrong, Richard; Fetterer, Florence; Gärtner-Roer, Isabelle; Hoelzle, Martin; Machguth, Horst; Mölg, Nico; Paul, Frank; Raup, Bruce H.; Zemp, Michael

2016-04-01

Changes in glaciers and ice caps provide some of the clearest evidence of climate change, with impacts on sea-level variations, regional hydrological cycles, and natural hazard situations. Therefore, glaciers have been recognized as an Essential Climate Variable (ECV). Internationally coordinated collection and distribution of standardized information about the state and change of glaciers and ice caps was initiated in 1894 and is today organized within the Global Terrestrial Network for Glaciers (GTN-G). GTN-G ensures the continuous development and adaptation of the international strategies to the long-term needs of users in science and policy. A GTN-G Steering Committee coordinates, supports and advices the operational bodies responsible for the international glacier monitoring, which are the World Glacier Monitoring Service (WGMS), the US National Snow and Ice Data Center (NSIDC), and the Global Land Ice Measurements from Space (GLIMS) initiative. In this presentation, we trace the development of the internationally coordinated glacier monitoring since its beginning in the 19th century. Today, several online databases containing a wealth of diverse data types with different levels of detail and global coverage provide fast access to continuously updated information on glacier fluctuation and inventory data. All glacier datasets are made freely available through the respective operational bodies within GTN-G, and can be accessed through the GTN-G Global Glacier Browser (http://www.gtn-g.org/data_browser.html). Glacier inventory data (e.g., digital outlines) are available for about 180,000 glaciers (GLIMS database, RGI - Randolph Glacier Inventory, WGI - World Glacier Inventory). Glacier front variations with about 45,000 entries since the 17th century and about 6,200 glaciological and geodetic mass (volume) change observations dating back to the 19th century are available in the Fluctuations of Glaciers (FoG) database. These datasets reveal clear evidence that

Coordination of the international network of nuclear structure and decay data evaluators

International Nuclear Information System (INIS)

Lorenz, A.

1984-09-01

This meeting of the International NSDD (Nuclear Structure and Decay Data) Network dealt with problems related to both the coordination of the NSDD network of centres and groups and to physics questions related to the evaluation of NSDD. The status of the mass-chain and nuclear structure data is reviewed and the planned activities are presented

Co-ordinated research project on comparative international studies of osteoporosis using isotope techniques. Report on the final research co-ordination meeting

International Nuclear Information System (INIS)

2002-01-01

In 1994, the International Atomic Energy Agency started the five-year Co-ordinated Research Project (CRP) on Comparative International Studies of Osteoporosis Using Isotope Techniques. The objectives of this study were: To harmonize the techniques of measuring BMD within the participating countries and to obtain data that can be compared between the different study groups (countries); To determine whether early adult PBM varies between populations over the age range from 15 to 50 years. In other words, to determine the age of peak bone mass in selected populations from developing countries; To explore environmental and nutritional contributions to any determined differences. Further information about the purpose and scope of the CRP may be found in the report of the Advisory Group Meeting (AGM) held in 19921 and other reports of this CRP. The fourth Research Co-ordination Meeting (RCM) for participants of the CRP, which is the subject of the present report, was held at the University of Sheffield Medical School; WHO Collaborating Center for Metabolic Bone Diseases in Sheffield, UK from 28 Feb. to 3 March 2000

Structural and Molecular Basis for Coordination in a Viral DNA Packaging Motor

Directory of Open Access Journals (Sweden)

Huzhang Mao

2016-03-01

Full Text Available Ring NTPases are a class of ubiquitous molecular motors involved in basic biological partitioning processes. dsDNA viruses encode ring ATPases that translocate their genomes to near-crystalline densities within pre-assembled viral capsids. Here, X-ray crystallography, cryoEM, and biochemical analyses of the dsDNA packaging motor in bacteriophage phi29 show how individual subunits are arranged in a pentameric ATPase ring and suggest how their activities are coordinated to translocate dsDNA. The resulting pseudo-atomic structure of the motor and accompanying functional analyses show how ATP is bound in the ATPase active site; identify two DNA contacts, including a potential DNA translocating loop; demonstrate that a trans-acting arginine finger is involved in coordinating hydrolysis around the ring; and suggest a functional coupling between the arginine finger and the DNA translocating loop. The ability to visualize the motor in action illuminates how the different motor components interact with each other and with their DNA substrate.

Determining the Feasibility, Content Validity, and Internal Consistency of a Newly Developed Care Coordination Scale for People with Brain Injury

Directory of Open Access Journals (Sweden)

Brian P. Johnson

2017-07-01

Full Text Available Background: With the increasing complexity of care, people with disabilities and supportive significant others (SSO must often coordinate key aspects of their own care, but no validated scale currently exists to comprehensively characterize the activities done to manage and coordinate their care. Method: This study aimed to improve the feasibility, acceptability, and content validity of the Care and Service Coordination and Management (CASCAM scale and to test its internal consistency. Questionnaire items were administered to 23 individuals with acquired brain injury and 17 SSO. Results: Respondents confirmed content validity and that the instrument addresses important care coordination and management issues. The internal consistency of care coordination domains for medical/ rehabilitative and independent living needs for people with brain injury and their SSO ranged from α = .774 to .945. Conclusion: Care coordination activities by persons with disabilities, including brain injury, and their SSO are multifaceted but feasibly measurable and should be assessed to improve care.

Funding of Geosciences: Coordinating National and International Resources

Science.gov (United States)

Bye, B.; Fontaine, K. S.

2012-12-01

Funding is an important element of national as well as international policy for Earth observations. The Group on Earth Observations (GEO) is coordinating efforts to build a Global Earth Observation System of Systems, or GEOSS. The lack of dedicated funding to support specific S&T activities in support of GEOSS is one of the most important obstacles to engaging the S&T communities in its implementation. This problem can be addressed by establishing explicit linkages between research and development programmes funded by GEO Members and Participating Organizations and GEOSS. In appropriate funding programs, these links may take the form of requiring explanations of how projects to be funded will interface with GEOSS and ensuring that demonstrating significant relevance for GEOSS is viewed as an asset of these proposals, requiring registration of Earth observing systems developed in these projects, or stipulating that data and products must adhere to the GEOSS Data Sharing Principles. Examples of Earth observations include: - Measurements from ground-based, in situ monitors; - Observations from Earth satellites; - Products and predictive capabilities from Earth system models, often using the capabilities of high-performance computers; - Scientific knowledge about the Earth system; and, - Data visualization techniques. These examples of Earth observations activities requires different types of resources, R&D top-down, bottom-up funding and programs of various sizes. Where innovation and infrastructure are involved different kind of resources are better suited, for developing countries completely other sources of funding are applicable etc. The European Commission funded Egida project is coordinating the development of a funding mechanism based on current national and international funding instruments such as the European ERANet, the new Joint Programming Initiatives, ESFRI as well as other European and non-European instruments. A general introduction to various

Atomic and Molecular Data activities at NDC/JAERI

International Nuclear Information System (INIS)

Shirai, Toshizo

2000-01-01

The NDC/JAERI is a member of the international atomic and molecular (A+M) data center network for fusion, coordinated by the International Atomic Energy Agency. In this poster we introduce our Evaluated Atomic and Molecular Data Library (JEAMDL) developed in collaboration with the JAERI Research Committee on A+M Data and with researchers of ORNL and NIST under the US-Japan fusion cooperation program. JEAMDL comprises databases of collision cross section data and of spectroscopic data. We briefly summarize these two databases below. (author)

Investigation of the complex reaction coordinate of acid catalyzed amide hydrolysis from molecular dynamics simulations

International Nuclear Information System (INIS)

Zahn, Dirk

2004-01-01

The rate-determining step of acid catalyzed peptide hydrolysis is the nucleophilic attack of a water molecule to the carbon atom of the amide group. Therein the addition of the hydroxyl group to the amide carbon atom involves the association of a water molecule transferring one of its protons to an adjacent water molecule. The protonation of the amide nitrogen atom follows as a separate reaction step. Since the nucleophilic attack involves the breaking and formation of several bonds, the underlying reaction coordinate is rather complex. We investigate this reaction step from path sampling Car-Parrinello molecular dynamics simulations. This approach does not require the predefinition of reaction coordinates and is thus particularly suited for investigating reaction mechanisms. From our simulations the most relevant components of the reaction coordinate are elaborated. Though the C···O distance of the oxygen atom of the water molecule performing the nucleophilic attack and the corresponding amide carbon atom is a descriptor of the reaction progress, a complete picture of the reaction coordinate must include all three molecules taking part in the reaction. Moreover, the proton transfer is found to depend on favorable solvent configurations. Thus, also the arrangement of non-reacting, i.e. solvent water molecules needs to be considered in the reaction coordinate

Investigating the Constrained Action Hypothesis: A Movement Coordination and Coordination Variability Approach.

Science.gov (United States)

Vidal, Anthony; Wu, Will; Nakajima, Mimi; Becker, James

2017-09-19

The purpose of this study was to examine the effects of focus of attention cues on movement coordination and coordination variability in the lower extremity. Twenty participants performed the standing long jump under both internal and external focus of attention conditions. A modified vector coding technique was used to evaluate the influence of attentional focus cues on lower extremity coordination patterns and coordination variability during the jumps. Participants jumped significantly further under an external focus of attention condition compared with an internal focus of attention condition (p = .035, effect size = .29). Focus of attention also influenced coordination between the ankle and knee, F(6, 19) = 2.87, p = .012, effect size = .388, with participants primarily using their knees under the internal focus of attention, and using both their ankles and knees under the external focus of attention. Attentional focus cues did not influence ankle-knee, F(1, 19) = 0.02, p = .98, effect size = .02, or hip-knee, F(1, 19) = 5.00, p = .49, effect size = .16, coordination variability. Results suggest that while attentional focus may not directly influence movement coordination condition, there is still a change in movement strategy resulting in greater jump distances following an external focus of attention.

To What Degree Does Handling Concrete Molecular Models Promote the Ability to Translate and Coordinate between 2D and 3D Molecular Structure Representations? A Case Study with Algerian Students

Science.gov (United States)

Mohamed-Salah, Boukhechem; Alain, Dumon

2016-01-01

This study aims to assess whether the handling of concrete ball-and-stick molecular models promotes translation between diagrammatic representations and a concrete model (or vice versa) and the coordination of the different types of structural representations of a given molecular structure. Forty-one Algerian undergraduate students were requested…

A proposal to establish an international network in molecular microbiology and genetic engineering for scientific cooperation and prevention of misuse of biological sciences in the framework of science for peace

International Nuclear Information System (INIS)

Becker, Y.

1998-01-01

The conference on 'Science and Technology for Construction of Peace' which was organized by the Landau Network Coordination Center and A. Volta Center for Scientific Culture dealt with conversion of military and technological capacities into sustainable civilian application. The ideas regarding the conversion of nuclear warheads into nuclear energy for civilian-use led to the idea that the extension of this trend of thought to molecular biology and genetic engineering, will be a useful contribution to Science for Peace. This idea of developing a Cooperation Network in Molecular Biology and Genetic Engineering that will function parallel to and with the Landau Network Coordination in the 'A. Volta' Center was discussed in the Second International Symposium on Science for Peace, Jerusalem, January 1997. It is the reason for the inclusion of the biological aspects in the deliberations of our Forum. It is hoped that the establishment of an international network in molecular biology and genetic engineering, similar to the Landau Network in physics, will support and achieve the decommissioning of biological weapons. Such a network in microbiology and genetic engineering will contribute to the elimination of biological weapons and to contributions to Science for Peace and to Culture of Peace activities of UNESCO. (author)

International bulletin on atomic and molecular data for fusion. No. 59

International Nuclear Information System (INIS)

Stephens, J.A.; Bannister, M.E.; Fuhr, J.; Gilbody, H.B.

2001-03-01

The International Bulletin on Atomic and Molecular Data for Fusion is prepared by the Atomic and Molecular Data Unit of the International Atomic Energy Agency. It is distributed free of charge by the IAEA to assist in the development of fusion research and technology. In part 1, the Atomic and Molecular Data Information System (AMDIS) is presented. In Part 2, the indexed papers are listed separately for structure and spectra, atomic and molecular collisions and surface interactions. Part 3 contains all the bibliographic data for both the indexed and non-indexed references. Finally, the Author Index (part 4) refers to the bibliographic references contained in part 3

International bulletin on atomic and molecular data for fusion. No. 58

International Nuclear Information System (INIS)

Stephens, J.; Bannister, M.E.; Fuhr, J.; Gilbody, H.B.

2000-06-01

The International Bulletin on Atomic and Molecular Data for Fusion is prepared by the Atomic and Molecular Data Unit of the International Atomic Energy Agency. It is distributed free of charge by the IAEA to assist in the development of fusion research and technology. In part 1, the Atomic and Molecular Data Information System (AMDIS) is presented. In Part 2, the indexed papers are listed separately for structure and spectra, atomic and molecular collisions and surface interactions. Part 3 contains all the bibliographic data for both the indexed and non-indexed references. Finally, the Author Index (part 4) refers to the bibliographic references contained in part 3

Structural and Molecular Basis for Coordination in a Viral DNA Packaging Motor.

Science.gov (United States)

Mao, Huzhang; Saha, Mitul; Reyes-Aldrete, Emilio; Sherman, Michael B; Woodson, Michael; Atz, Rockney; Grimes, Shelley; Jardine, Paul J; Morais, Marc C

2016-03-01

Ring NTPases are a class of ubiquitous molecular motors involved in basic biological partitioning processes. dsDNA viruses encode ring ATPases that translocate their genomes to near-crystalline densities within pre-assembled viral capsids. Here, X-ray crystallography, cryoEM, and biochemical analyses of the dsDNA packaging motor in bacteriophage phi29 show how individual subunits are arranged in a pentameric ATPase ring and suggest how their activities are coordinated to translocate dsDNA. The resulting pseudo-atomic structure of the motor and accompanying functional analyses show how ATP is bound in the ATPase active site; identify two DNA contacts, including a potential DNA translocating loop; demonstrate that a trans-acting arginine finger is involved in coordinating hydrolysis around the ring; and suggest a functional coupling between the arginine finger and the DNA translocating loop. The ability to visualize the motor in action illuminates how the different motor components interact with each other and with their DNA substrate. Copyright © 2016 The Authors. Published by Elsevier Inc. All rights reserved.

Molecular phylogeny of Ranunculaceae based on internal ...

African Journals Online (AJOL)

The botanical family Ranunculaceae contains important medicinal plants. To obtain new evolutionary evidence regarding the systematic classification of Ranunculaceae plants, we used molecular phylogenies to test relationships based on the internal transcribed spacer region. The results of phylogenetic analysis of 92 ...

A two-dimensional Zn coordination polymer with a three-dimensional supra-molecular architecture.

Science.gov (United States)

Liu, Fuhong; Ding, Yan; Li, Qiuyu; Zhang, Liping

2017-10-01

The title compound, poly[bis-{μ 2 -4,4'-bis-[(1,2,4-triazol-1-yl)meth-yl]biphenyl-κ 2 N 4 : N 4' }bis-(nitrato-κ O )zinc(II)], [Zn(NO 3 ) 2 (C 18 H 16 N 6 ) 2 ] n , is a two-dimensional zinc coordination polymer constructed from 4,4'-bis-[(1 H -1,2,4-triazol-1-yl)meth-yl]-1,1'-biphenyl units. It was synthesized and characterized by elemental analysis and single-crystal X-ray diffraction. The Zn II cation is located on an inversion centre and is coordinated by two O atoms from two symmetry-related nitrate groups and four N atoms from four symmetry-related 4,4'-bis-[(1 H -1,2,4-triazol-1-yl)meth-yl]-1,1'-biphenyl ligands, forming a distorted octa-hedral {ZnN 4 O 2 } coordination geometry. The linear 4,4'-bis-[(1 H -1,2,4-triazol-1-yl)meth-yl]-1,1'-biphenyl ligand links two Zn II cations, generating two-dimensional layers parallel to the crystallographic (132) plane. The parallel layers are connected by C-H⋯O, C-H⋯N, C-H⋯π and π-π stacking inter-actions, resulting in a three-dimensional supra-molecular architecture.

Molecular dynamic simulation study of molten cesium

Directory of Open Access Journals (Sweden)

Yeganegi Saeid

2017-01-01

Full Text Available Molecular dynamics simulations were performed to study thermodynamics and structural properties of expanded caesium fluid. Internal pressure, radial distribution functions (RDFs, coordination numbers and diffusion coefficients have been calculated at temperature range 700–1600 K and pressure range 100–800 bar. We used the internal pressure to predict the metal–non-metal transition occurrence region. RDFs were calculated at wide ranges of temperature and pressure. The coordination numbers decrease and positions of the first peak of RDFs slightly increase as the temperature increases and pressure decreases. The calculated self-diffusion coefficients at various temperatures and pressures show no distinct boundary between Cs metallic fluid and its expanded fluid where it continuously increases with temperature.

Lattice dynamics of a crystal with a molecular impurity

International Nuclear Information System (INIS)

Sahoo, D.; Venkataraman, G.

1975-01-01

The dynamics of a crystal containing a molecular impurity is discussed with allowance for the effects of internal vibrations of the molecule. Cartesian coordinates are used to describe internal vibrations, angular oscillations and centre of mass translations of the impurity, and the displacement of atoms of the host lattice. Next the Hamiltonian is set up and the equations of motion derived. In this process, use is made of Dirac brackets when dealing with vibrational coordinates (of the molecule) which have redundancy and constraints. A method of solution of the normal modes of the system is indicated by using the defect space matrixpartitioning technique. The special case of a rigid molecular impurity is then discussed along with the relevance of the present formalism in the interpretation of a recent neutron scattering experiment. It is also shown how the results of crystal-field approximation model and those of the molecular model approximation are obtained as further special cases of the present formalism. A comparison of the present work with those of others has been made. (author)

Report of the First International Workshop on molecular blood group genotyping

NARCIS (Netherlands)

Daniels, G.; van der Schoot, C. E.; Olsson, M. L.

2005-01-01

The use of molecular genetic technology for blood group typing is becoming routine procedure in many reference laboratories worldwide. A First International Workshop was organized on behalf of the International Society of Blood Transfusion (ISBT) and the International Council for Standardization in

International coordination of activities for establishing protective measures for the case of accidental release of radioactivity

Energy Technology Data Exchange (ETDEWEB)

1986-01-01

The document discussed here has been submitted to the WHO Regional Committee as a basis for discussion on the international coordination of protective measures in case of large-area radioactive contamination. The document presents the following: a summary of actions taken by the regional office in response to the Chernobyl reactor accident, and of the national and international measures for public health protection after the accident; brief review of actions taken by other international organisations, and the activities proposed by the WHO on a European and on a global level. (orig./HSCH).

2. IAEA research co-ordination meeting on 'Data for molecular processes in edge plasmas'. Summary report

International Nuclear Information System (INIS)

Clark, R.E.H.

2004-05-01

This report briefly describes the proceedings, conclusions and recommendations of the 2nd Research Co-ordination Meeting (RCM) of the Co-ordinated Research Project (CRP) on 'Data for Molecular Processes in Edge Plasmas' held on 12-14 May 2003 at IAEA Headquarters, Vienna. During the course of the meeting the progress achieved to data was thoroughly reviewed. During the course of the meeting many areas in need of further research were noted. In addition there are specific important processes with lingering discrepancies between theory and experiment. Strong collaborations built during the course of this CRP have the potential to address these issues. Therefore, one outcome of the RCM was a detailed proposal to extend the CRP for an additional year with a final RCM in 2004. (author)

Emission trading and Kyoto's protocol: discussions concerning rules and international coordination

International Nuclear Information System (INIS)

Baron, R.

2000-01-01

The Kyoto Protocol of the Climate Convention introduced the possibility to trade greenhouse gas emission reductions among industrialized countries, as a means to reduce the total cost of achieving the agreed emission goals. The rules for this international co-ordination regime are still debated, even if its principle is generally agreed. This article, written before the negotiation in the Hague, summarizes how the notion of emission trading made its way in the Framework Convention on Climate Change. The authors show what economic gains could realistically be expected from emission trading, based on macro-economic modelling results and a simulation of trading in the conditions of the Kyoto Protocol. They stress the critical contribution that emission trading could make, provided that the Protocol's environmental basis is not undermined. In the end, the negotiation collapsed over this issue. Beyond this near-term obstacle, the international emission trading system represents a significant progress towards an efficient resolution of man-made global climate change. (author)

Numeric kinetic energy operators for molecules in polyspherical coordinates

International Nuclear Information System (INIS)

Sadri, Keyvan; Meyer, Hans-Dieter; Lauvergnat, David; Gatti, Fabien

2012-01-01

Generalized curvilinear coordinates, as, e.g., polyspherical coordinates, are in general better adapted to the resolution of the nuclear Schrödinger equation than rectilinear ones like the normal mode coordinates. However, analytical expressions of the kinetic energy operators (KEOs) for molecular systems in polyspherical coordinates may be prohibitively complicated for large systems. In this paper we propose a method to generate a KEO numerically and bring it to a form practicable for dynamical calculations. To examine the new method we calculated vibrational spectra and eigenenergies for nitrous acid (HONO) and compare it with results obtained with an exact analytical KEO derived previously [F. Richter, P. Rosmus, F. Gatti, and H.-D. Meyer, J. Chem. Phys. 120, 6072 (2004)]. In a second example we calculated π→π* photoabsorption spectrum and eigenenergies of ethene (C 2 H 4 ) and compared it with previous work [M. R. Brill, F. Gatti, D. Lauvergnat, and H.-D. Meyer, Chem. Phys. 338, 186 (2007)]. In this ethene study the dimensionality was reduced from 12 to 6 by freezing six internal coordinates. Results for both molecules show that the proposed method for obtaining an approximate KEO is reliable for dynamical calculations. The error in eigenenergies was found to be below 1 cm −1 for most states calculated.

Co-ordination of the international network of nuclear structure and decay data evaluators

International Nuclear Information System (INIS)

Lorenz, A.

1986-10-01

The seventh meeting of the International Network of Nuclear Structure and Decay Data (NSDD) Evaluators concentrated on the organizational aspects of the coordination of the NSDD network and on the presentation and discussion of papers related to the physics of evaluation of NSDD. The report contains short status reports from NSDD Network members, the status of the mass-chain and nuclear structure data, a discussion of evaluation rules and procedures and a short presentation of the next activities

Report of the Second International Workshop on molecular blood group genotyping

NARCIS (Netherlands)

Daniels, G.; van der Schoot, C. E.; Olsson, M. L.

2007-01-01

The second International Society of Blood Transfusion and International Council for Standardization in Haematology workshop on molecular blood group genotyping was held in 2006. Forty-one laboratories participated. Six samples were distributed: two representing DNA from transfusion-dependent

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An Internationally Coordinated Science Management Plan for Samples Returned from Mars

Science.gov (United States)

Haltigin, T.; Smith, C. L.

2015-12-01

Mars Sample Return (MSR) remains a high priority of the planetary exploration community. Such an effort will undoubtedly be too large for any individual agency to conduct itself, and thus will require extensive global cooperation. To help prepare for an eventual MSR campaign, the International Mars Exploration Working Group (IMEWG) chartered the international Mars Architecture for the Return of Samples (iMARS) Phase II working group in 2014, consisting of representatives from 17 countries and agencies. The overarching task of the team was to provide recommendations for progressing towards campaign implementation, including a proposed science management plan. Building upon the iMARS Phase I (2008) outcomes, the Phase II team proposed the development of an International MSR Science Institute as part of the campaign governance, centering its deliberations around four themes: Organization: including an organizational structure for the Institute that outlines roles and responsibilities of key members and describes sample return facility requirements; Management: presenting issues surrounding scientific leadership, defining guidelines and assumptions for Institute membership, and proposing a possible funding model; Operations & Data: outlining a science implementation plan that details the preliminary sample examination flow, sample allocation process, and data policies; and Curation: introducing a sample curation plan that comprises sample tracking and routing procedures, sample sterilization considerations, and long-term archiving recommendations. This work presents a summary of the group's activities, findings, and recommendations, highlighting the role of international coordination in managing the returned samples.

International bulletin on atomic and molecular data for fusion. No. 53

International Nuclear Information System (INIS)

Stephens, J.A.

1997-11-01

The International Bulletin on Atomic and Molecular Data for Fusion is presented in four parts: 1) The Atomic and Molecular Data Information System (AMDIS) of the IAEA; 2) the indexed papers listed separately for structure and spectra, atomic and molecular collisions, and surface interactions; 3) all bibliographic data for both the indexed and non-indexed references; 4) the Author Index refers to the bibliographic references contained in Part 3

PREFACE: International Symposium on Molecular Conductors: Novel Functions of Molecular Conductors under Extreme Conditions (ISMC 2008)

Science.gov (United States)

Takahashi, Toshihiro; Suzumura, Yoshikazu

2008-02-01

The International Symposium on Molecular Conductors 2008 (ISMC2008) was held as the second international symposium of the project entitled `Novel Functions of Molecular Conductors under Extreme Conditions', which was supported by the Grant-in-aid for Scientific Research on Priority Areas from the Ministry of Education, Culture, Sports, Science and Technology in Japan. The project lasted from September 2003 to March 2008, and was completed by this symposium held at Okazaki Conference Center, Institute for Molecular Science, Okazaki, Japan (23-25 July 2008), which about 100 scientists attended. During the symposium, five project teams gave summary talks and exciting talks were given on the topics developed recently not only by the members of the project but also by other scientists including invited speakers from abroad, who are doing active research on molecular conductors. It is expected that papers presented in the symposium will give valuable hints for the next step in the research of this field. Therefore the organizers of this symposium decided to publish this proceedings in order to demonstrate these activities, not only for the local community of the project, but also for the broad society of international scientists who are interested in molecular conductors. The editors, who are also the organizers of this symposium, believe that this proceedings provides a significant and relevant contribution to the field of molecular conductors since it is the first time we have published such a proceedings as an electronic journal. We note that all papers published in this volume of Journal of Physics: Conference Series have been peer reviewed by expert referees. Editors made every effort to satisfy the criterion of a proceedings journal published by IOP Publishing. Toshihiro Takahashi and Yoshikazu Suzumura Editors: Toshihiro Takahashi (Gakushuin University) (Chairman) Kazushi Kanoda (University of Tokyo) Seiichi Kagoshima (University of Tokyo) Takehiko Mori (Tokyo

Enhancing the magnetic anisotropy of maghemite nanoparticles via the surface coordination of molecular complexes

Science.gov (United States)

Prado, Yoann; Daffé, Niéli; Michel, Aude; Georgelin, Thomas; Yaacoub, Nader; Grenèche, Jean-Marc; Choueikani, Fadi; Otero, Edwige; Ohresser, Philippe; Arrio, Marie-Anne; Cartier-dit-Moulin, Christophe; Sainctavit, Philippe; Fleury, Benoit; Dupuis, Vincent; Lisnard, Laurent; Fresnais, Jérôme

2015-01-01

Superparamagnetic nanoparticles are promising objects for data storage or medical applications. In the smallest—and more attractive—systems, the properties are governed by the magnetic anisotropy. Here we report a molecule-based synthetic strategy to enhance this anisotropy in sub-10-nm nanoparticles. It consists of the fabrication of composite materials where anisotropic molecular complexes are coordinated to the surface of the nanoparticles. Reacting 5 nm γ-Fe2O3 nanoparticles with the [CoII(TPMA)Cl2] complex (TPMA: tris(2-pyridylmethyl)amine) leads to the desired composite materials and the characterization of the functionalized nanoparticles evidences the successful coordination—without nanoparticle aggregation and without complex dissociation—of the molecular complexes to the nanoparticles surface. Magnetic measurements indicate the significant enhancement of the anisotropy in the final objects. Indeed, the functionalized nanoparticles show a threefold increase of the blocking temperature and a coercive field increased by one order of magnitude. PMID:26634987

Report of the third international workshop on molecular blood group genotyping

NARCIS (Netherlands)

Daniels, G.; van der Schoot, C. E.; Gassner, C.; Olsson, M. L.

2009-01-01

The Third International Society of Blood Transfusion Workshop on Molecular Blood Group Genotyping was held in 2008, with a feedback meeting at the International Society of Blood Transfusion Congress in Macao SAR, China. Thirty-three laboratories participated, eight less than in 2006. Six samples

Exercise increases human skeletal muscle insulin sensitivity via coordinated increases in microvascular perfusion and molecular signaling

DEFF Research Database (Denmark)

Sjøberg, Kim Anker; Frøsig, Christian; Kjøbsted, Rasmus

2017-01-01

and increased similarly in both legs during the clamp and L-NMMA had no effect on these insulin-stimulated signaling pathways. Therefore, acute exercise increases insulin sensitivity of muscle by a coordinated increase in insulin-stimulated microvascular perfusion and molecular signaling at the level of TBC1D4...... and glycogen synthase in muscle. This secures improved glucose delivery on the one hand and increased ability to take up and dispose of the delivered glucose on the other hand....

Atomic and Molecular Data for State-Resolved Modelling of Hydrogen and Helium and Their Isotopes in Fusion Plasma. Summary Report of the First Research Coordination Meeting

International Nuclear Information System (INIS)

Braams, B. J.

2013-12-01

The First Research Coordination Meeting of the IAEA Coordinated Research Project (CRP) on 'Atomic and Molecular Data for State-Resolved Modelling of Hydrogen and Helium and Their Isotopes in Fusion Plasma' was held 10-12 August 2011 at IAEA Headquarters in Vienna. Participants reviewed the status of the database on molecular processes of H and He, identified data needs and made plans for development of new data in connection with the CRP. The proceedings of the meeting are summarized here. Participants' summaries and work plans are also provided. (author)

Equilibrium Molecular Thermodynamics from Kirkwood Sampling

OpenAIRE

Somani, Sandeep; Okamoto, Yuko; Ballard, Andrew J.; Wales, David J.

2015-01-01

We present two methods for barrierless equilibrium sampling of molecular systems based on the recently proposed Kirkwood method (J. Chem. Phys. 2009, 130, 134102). Kirkwood sampling employs low-order correlations among internal coordinates of a molecule for random (or non-Markovian) sampling of the high dimensional conformational space. This is a geometrical sampling method independent of the potential energy surface. The first method is a variant of biased Monte Carlo, wher...

2. IAEA research co-ordination meeting on 'Atomic and molecular data for fusion plasma diagnostics'. Summary report

International Nuclear Information System (INIS)

Clark, R.E.H.

2004-05-01

This report briefly describes the proceedings, conclusions and recommendations of the 2nd Research Co-ordination Meeting (RCM) of the Co-ordinated Research Project (CRP) on 'Atomic and Molecular Data for Fusion Plasma Diagnostics' held on 16-18 June 2003 at IAEA Headquarters, Vienna. During the course of the meeting the progress achieved to data was thoroughly reviewed. It was noted that during the course of the research several new areas of data needs were revealed. During detailed discussions proposals from all participants on ongoing data needs indicated that a one year extension of the CRP would be extremely valuable with an additional RCM to be held in 2004. A specific proposal for such an extension was formulated along with the summary of the results achieved to date. (author)

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Develops systems and procedures for administering and tracking legal undertakings, coordinates and consolidates the legal information in order to meet deadlines. • Collaborates with the Secretary and General Counsel to ensure that all legal issues are handled efficiently, while respecting the highly confidential nature of ...

Proceedings 10th International Workshop on the Foundations of Coordination Languages and Software Architectures (FOCLASA 2011, Aachen, Germany, September 10, 2011)

NARCIS (Netherlands)

Mousavi, M.R.; Ravara, A.

2011-01-01

Welcome to the proceedings of FOCLASA 2011, the 10th International Workshop on the Foundations of Coordination Languages and Software Architectures. FOCLASA 2011 was held in Aachen, Germany on September 10th, 2011 as a satellite event of CONCUR 2011, the 22nd International Conference on Concurrency

Coordenadas cartesianas moleculares a partir da geometria dos modos normais de vibração Molecular cartesian coordinates from vibrational normal modes geometry

Directory of Open Access Journals (Sweden)

Emílio Borges

2007-04-01

Full Text Available A simple method to obtain molecular Cartesian coordinates as a function of vibrational normal modes is presented in this work. The method does not require the definition of special matrices, like the F and G of Wilson, neither of group theory. The Eckart's conditions together with the diagonalization of kinetic and potential energy are the only required expressions. This makes the present approach appropriate to be used as a preliminary study for more advanced concepts concerning vibrational analysis. Examples are given for diatomic and triatomic molecules.

EDITORIAL: Molecular Imaging Technology

Science.gov (United States)

Asai, Keisuke; Okamoto, Koji

2006-06-01

'Molecular Imaging Technology' focuses on image-based techniques using nanoscale molecules as sensor probes to measure spatial variations of various species (molecular oxygen, singlet oxygen, carbon dioxide, nitric monoxide, etc) and physical properties (pressure, temperature, skin friction, velocity, mechanical stress, etc). This special feature, starting on page 1237, contains selected papers from The International Workshop on Molecular Imaging for Interdisciplinary Research, sponsored by the Ministry of Education, Culture, Sports, Science and Technology (MEXT) in Japan, which was held at the Sendai Mediatheque, Sendai, Japan, on 8 9 November 2004. The workshop was held as a sequel to the MOSAIC International Workshop that was held in Tokyo in 2003, to summarize the outcome of the 'MOSAIC Project', a five-year interdisciplinary project supported by Techno-Infrastructure Program, the Special Coordination Fund for Promotion of Science Technology to develop molecular sensor technology for aero-thermodynamic research. The workshop focused on molecular imaging technology and its applications to interdisciplinary research areas. More than 110 people attended this workshop from various research fields such as aerospace engineering, automotive engineering, radiotechnology, fluid dynamics, bio-science/engineering and medical engineering. The purpose of this workshop is to stimulate intermixing of these interdisciplinary fields for further development of molecular sensor and imaging technology. It is our pleasure to publish the seven papers selected from our workshop as a special feature in Measurement and Science Technology. We will be happy if this issue inspires people to explore the future direction of molecular imaging technology for interdisciplinary research.

Car-Parrinello molecular dynamics study of the coordination on Al3+ (aq)

International Nuclear Information System (INIS)

Larrucea, Julen

2011-01-01

The solution of the Al 3+ cation has been simulated for coordination numbers 4, 5 and 6 in order to test their stability. The trajectories confirm the stability of the four- and six-coordinated Al 3+ structures and Helmholtz's free energy estimations show the dehydration energy to decrease along with the coordination number. The five-coordinated structure turned into a six-coordinated one after 80 ps.

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PREFACE: 8th Asian International Seminar on Atomic and Molecular Physics (AISAMP)

Science.gov (United States)

Williams, Jim F.; Buckman, Steve; Bieske, Evan J.

2009-09-01

These proceedings arose from the 8th Asian International Seminar on Atomic and Molecular Physics (AISAMP) which was held at the University of Western Australia 24-28 November 2008. The history of AISAMP (Takayanagi and Matsuzawa 2002) recognizes its origin from the Japan-China meeting of 1985, and the first use of the name 'The First Asian International Seminar on Atomic and Molecular Physics (AISAMP)' in 1992. The initial attendees, Japan and China, were joined subsequently by scientists from Korea, Taiwan, India, Australia and recently by Malaysia, Thailand, Vietnam, Turkey Iran, UK and USA. The main purpose of the biennial AISAMP series is to create a wide forum for exchanging ideas and information among atomic and molecular scientists and to promote international collaboration. The scope of the AISAMP8 meeting included pure, strategic and applied research involving atomic and molecular structure and processes in all forms of matter and antimatter. For 2008 the AISAMP conference incorporated the Australian Atomic and Molecular Physics and Quantum Chemistry meeting. The topics for AISAMP8 embraced themes from earlier AISAMP meetings and reflected new interests, in atomic and molecular structures, spectroscopy and collisions; atomic and molecular physics with laser or synchrotron radiation; quantum information processing using atoms and molecules; atoms and molecules in surface physics, nanotechnology, biophysics, atmospheric physics and other interdisciplinary studies. The implementation of the AISAMP themes, as well as the international representation of research interests, is indicated both in the contents list of these published manuscripts as well as in the program for the meeting. Altogether, 184 presentations were made at the 8th AISAMP, including Invited Talks and Contributed Poster Presentations, of which 60 appear in the present Proceedings after review by expert referees in accordance with the usual practice of Journal of Physics: Conference Series of

Internationally coordinated multi-mission planning is now critical to sustain the space-based rainfall observations needed for managing floods globally

International Nuclear Information System (INIS)

Reed, Patrick M; Herman, Jonathan D; Chaney, Nathaniel W; Wood, Eric F; Ferringer, Matthew P

2015-01-01

At present 4 of 10 dedicated rainfall observing satellite systems have exceeded their design life, some by more than a decade. Here, we show operational implications for flood management of a ‘collapse’ of space-based rainfall observing infrastructure as well as the high-value opportunities for a globally coordinated portfolio of satellite missions and data services. Results show that the current portfolio of rainfall missions fails to meet operational data needs for flood management, even when assuming a perfectly coordinated data product from all current rainfall-focused missions (i.e., the full portfolio). In the full portfolio, satellite-based rainfall data deficits vary across the globe and may preclude climate adaptation in locations vulnerable to increasing flood risks. Moreover, removing satellites that are currently beyond their design life (i.e., the reduced portfolio) dramatically increases data deficits globally and could cause entire high intensity flood events to be unobserved. Recovery from the reduced portfolio is possible with internationally coordinated replenishment of as few as 2 of the 4 satellite systems beyond their design life, yielding rainfall data coverages that outperform the current full portfolio (i.e., an optimized portfolio of eight satellites can outperform ten satellites). This work demonstrates the potential for internationally coordinated satellite replenishment and data services to substantially enhance the cost-effectiveness, sustainability and operational value of space-based rainfall observations in managing evolving flood risks. (letter)

The role of molecular pain biomarkers in temporomandibular joint internal derangement.

Science.gov (United States)

Ernberg, M

2017-06-01

There is evidence that low-grade inflammation may be responsible for pain and development of degenerative changes in temporomandibular joint internal derangement. This article reviews the current knowledge of the molecular mechanisms behind TMJ internal derangements. A non-systematic search was carried out in PubMed, Embase and the Cochrane library for studies regarding pathophysiological mechanisms behind internal derangements focusing on pain-mediating inflammatory and cartilage-degrading molecules. Recent data suggest that release of cytokines may be the key event for pain and cartilage destruction in TMJ internal derangements. Cytokines promote the release of matrix metalloproteinases (MMPs), and due to hypoxia, vascular endothelial growth factor (VEGF) is released. This activates chondrocytes to produce MMPs and reduce their tissue inhibitors (TIMPs) as well as the recruitment of osteoclasts, ultimately leading to cartilage and bone resorption. Also, proteoglycans have an important role in this process. Several cytokines, MMPs, TIMPs and VEGF have been identified in higher concentrations in the TMJ synovial fluid of patients with painful internal derangements and shown to be associated with the degree of degeneration. Other molecules that show elevated levels include hyaluronic acid synthase, disintegrin and metalloproteinase with thrombospondin motifs (ADAMTs), aggrecan, fibromodulin, biglycan and lumican. Taken together, more or less pronounced inflammation of TMJ structures with release of cytokines, MMPs and other molecular markers that interact in a complex manner may be responsible for tissue degeneration in internal derangements. As internal derangements may be symptom-free, the degree of inflammation, but also other mechanisms, may be important for pain development. © 2017 John Wiley & Sons Ltd.

Visuo-motor coordination and internal models for object interception.

Science.gov (United States)

Zago, Myrka; McIntyre, Joseph; Senot, Patrice; Lacquaniti, Francesco

2009-02-01

Intercepting and avoiding collisions with moving objects are fundamental skills in daily life. Anticipatory behavior is required because of significant delays in transforming sensory information about target and body motion into a timed motor response. The ability to predict the kinematics and kinetics of interception or avoidance hundreds of milliseconds before the event may depend on several different sources of information and on different strategies of sensory-motor coordination. What are exactly the sources of spatio-temporal information and what are the control strategies remain controversial issues. Indeed, these topics have been the battlefield of contrasting views on how the brain interprets visual information to guide movement. Here we attempt a synthetic overview of the vast literature on interception. We discuss in detail the behavioral and neurophysiological aspects of interception of targets falling under gravity, as this topic has received special attention in recent years. We show that visual cues alone are insufficient to predict the time and place of interception or avoidance, and they need to be supplemented by prior knowledge (or internal models) about several features of the dynamic interaction with the moving object.

Summary Report of the 1. Research Coordination Meeting on Testing and Improving the International Reactor Dosimetry and Fusion File (IRDFF)

International Nuclear Information System (INIS)

Trkov, A.; Greenwood, L.R.; Simakov, S.P.

2013-09-01

In accordance with the recommendations of the International Nuclear Data Committee in May 2012, the Nuclear Data Section of IAEA has initiated a new Coordinated Research Project (CRP number F41031) with the main goal to test, validate and improve the international dosimetry library for fission and fusion (IRDFF). The output of this CRP will be a reference dosimetry database of cross sections and decay data with corresponding documentation. It will serve to the needs of fission, fusion and accelerator applications. The first Research Coordination Meeting (RCM) was held 1 to 5 July 2013 in IAEA. At this meeting, the attendees discussed the objectives of the whole CRP, presented their contributions and elaborated on consolidated recommendations and actions for implementation over the next 1.5 year period. This Summary Report documents the individual contributions and joint decisions made during this meeting. (author)

Eleventh international symposium on radiopharmaceutical chemistry

International Nuclear Information System (INIS)

1995-01-01

This document contains abstracts of papers which were presented at the Eleventh International Symposium on Radiopharmaceutical Chemistry. Sessions included: radiopharmaceuticals for the dopaminergic system, strategies for the production and use of labelled reactive small molecules, radiopharmaceuticals for measuring metabolism, radiopharmaceuticals for the serotonin and sigma receptor systems, labelled probes for molecular biology applications, radiopharmaceuticals for receptor systems, radiopharmaceuticals utilizing coordination chemistry, radiolabelled antibodies, radiolabelling methods for small molecules, analytical techniques in radiopharmaceutical chemistry, and analytical techniques in radiopharmaceutical chemistry

Eleventh international symposium on radiopharmaceutical chemistry

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-12-31

This document contains abstracts of papers which were presented at the Eleventh International Symposium on Radiopharmaceutical Chemistry. Sessions included: radiopharmaceuticals for the dopaminergic system, strategies for the production and use of labelled reactive small molecules, radiopharmaceuticals for measuring metabolism, radiopharmaceuticals for the serotonin and sigma receptor systems, labelled probes for molecular biology applications, radiopharmaceuticals for receptor systems, radiopharmaceuticals utilizing coordination chemistry, radiolabelled antibodies, radiolabelling methods for small molecules, analytical techniques in radiopharmaceutical chemistry, and analytical techniques in radiopharmaceutical chemistry.

Cantilever torque magnetometry on coordination compounds

DEFF Research Database (Denmark)

Perfetti, Mauro

2017-01-01

compounds, such as quantum computation or information storage. This review enlightens that CTM offers a unique combination of accuracy and precision to disentangle noncollinear contributions inside Single Crystals as well as the sensitivity to detect molecular order of thin films. CTM can also detect......Cantilever Torque Magnetometry (CTM) is one of the leading techniques to deeply understand magnetic anisotropy of coordination compounds. The knowledge of magnetic anisotropy is a mandatory requirement before proceeding with any future application related to the magnetic properties of coordination...... quantum phenomena such as magnetization steps and molecular hysteresis curves. Moreover, it can also provide the energy levels splitting and avefunctions composition, especially if coupled with microwave radiation....

Inter-plant coordination and its relationships with supply chain integration and operational performance

DEFF Research Database (Denmark)

Yang, Cheng; Chaudhuri, Atanu; Farooq, Sami

2016-01-01

Based on the data obtained from the sixth version of International Manufacturing Strategy Survey (IMSS VI), this paper explores the relationships at the level of plant between (1) inter-plant coordination and operational performance, and (2) between inter-plant coordination and internal/external ......Based on the data obtained from the sixth version of International Manufacturing Strategy Survey (IMSS VI), this paper explores the relationships at the level of plant between (1) inter-plant coordination and operational performance, and (2) between inter-plant coordination and internal...

Internal or shape coordinates in the n-body problem

International Nuclear Information System (INIS)

Littlejohn, R.G.; Reinsch, M.

1995-01-01

The construction of global shape coordinates for the n-body problem is considered. Special attention is given to the three- and four-body problems. Quantities, including candidates for coordinates, are organized according to their transformation properties under so-called democracy transformations (orthogonal transformations of Jacobi vectors). Important submanifolds of shape space are identified and their topology studied, including the manifolds upon which shapes are coplanar or collinear, and the manifolds upon which the moment of inertia tensor is degenerate

Managing nuclear knowledge: IAEA activities and international coordination. Asian Network for Education in Nuclear Technology (ANENT)

International Nuclear Information System (INIS)

2007-07-01

This CD-ROM is attached to the booklet 'Managing nuclear knowledge: IAEA activities and international coordination. Asian Network for Education in Nuclear Technology (ANENT)'. It contains the background material with regard to ANENT in full text, including policy level papers, reports, presentation material made by Member States, and meeting summaries during the period 2002-2005. Further information on the current ANENT activities and related IAEA activities is available at 'http://anent-iaea.org' and 'http://iaea.org/inisnkm'

International bulletin on atomic and molecular data for fusion. No. 46

International Nuclear Information System (INIS)

Botero, J.

1993-06-01

The bulletin is published by the International Atomic Energy Agency to provide atomic and molecular data relevant to fusion research and technology. In Part I the indexed papers are listed separately for (i) structure and spectra (energy levels, wavelengths; transition probabilities, oscillator strengths; interatomic potentials); (ii) atomic and molecular collisions (photon collisions; electron collisions; heavy-particle collisions; homonuclear sequences; isoelectronic sequences), and (iii) surface interactions (sputtering; chemical reactions; trapping and detrapping; surface damage; blistering, flaking; secondary electron emission). Part II contains the bibliographic data for the above listed topics and for high energy laser- and beam-matter interaction; interaction of atomic particles with fields. The atomic and molecular data needs in fusion research, as identified during the IAEA Consultants' Meeting on 'Atomic and Molecular Database for Hydrogen Recycling and Helium Exhaust from Fusion Reactors', June 1992, Vienna, are listed, covering (i) atomic and molecular collision processes, (ii) particle-surface interaction processes, and (iii) the status of data bases on atomic and molecular data and plasma-surface interactions. News on the ALADDIN (A labelled Atomic Data INterface) system is provided. Finally, a list of evaluated atomic and molecular data bases is provided

Politics of coordination in environmental health

DEFF Research Database (Denmark)

Holm, Jesper; Kjærgård, Bente; Jelsøe, Erling

2015-01-01

on environmental policy integration, for studying the efforts and paradoxes in sector co-ordination, in order to reflect on the pro et cons of integrative approaches to environment and public health. We will give an overview of the various approaches to coordinative efforts from an international to a national...

International bulletin on atomic and molecular data for fusion. No. 52

Energy Technology Data Exchange (ETDEWEB)

Stephens, J A [ed.

1997-08-01

This bulletin is published by the International Atomic Energy Agency to provide atomic and molecular data relevant to fusion research and technology. In part 1 the indexed papers are listed separately for (i) structure and spectra (energy levels, wavelengths, transition probabilities, oscillator strengths, interatomic potentials); (ii) atomic and molecular collisions (photon collisions, electron collisions, heavy-particle collisions); and (iii) surface interactions (sputtering, chemical reactions, trapping and detrapping, adsorption, desorption, reflection, and secondary electron emission). Part 2 contains the bibliographic data, essentially for the above listed topics.

International bulletin on atomic and molecular data for fusion. No. 52

International Nuclear Information System (INIS)

Stephens, J.A.

1997-08-01

This bulletin is published by the International Atomic Energy Agency to provide atomic and molecular data relevant to fusion research and technology. In part 1 the indexed papers are listed separately for (i) structure and spectra (energy levels, wavelengths, transition probabilities, oscillator strengths, interatomic potentials); (ii) atomic and molecular collisions (photon collisions, electron collisions, heavy-particle collisions); and (iii) surface interactions (sputtering, chemical reactions, trapping and detrapping, adsorption, desorption, reflection, and secondary electron emission). Part 2 contains the bibliographic data, essentially for the above listed topics

Magnetic Coordinate Systems

Science.gov (United States)

Laundal, K. M.; Richmond, A. D.

2017-03-01

Geospace phenomena such as the aurora, plasma motion, ionospheric currents and associated magnetic field disturbances are highly organized by Earth's main magnetic field. This is due to the fact that the charged particles that comprise space plasma can move almost freely along magnetic field lines, but not across them. For this reason it is sensible to present such phenomena relative to Earth's magnetic field. A large variety of magnetic coordinate systems exist, designed for different purposes and regions, ranging from the magnetopause to the ionosphere. In this paper we review the most common magnetic coordinate systems and describe how they are defined, where they are used, and how to convert between them. The definitions are presented based on the spherical harmonic expansion coefficients of the International Geomagnetic Reference Field (IGRF) and, in some of the coordinate systems, the position of the Sun which we show how to calculate from the time and date. The most detailed coordinate systems take the full IGRF into account and define magnetic latitude and longitude such that they are constant along field lines. These coordinate systems, which are useful at ionospheric altitudes, are non-orthogonal. We show how to handle vectors and vector calculus in such coordinates, and discuss how systematic errors may appear if this is not done correctly.

Coordination of the international network of nuclear structure and decay data evaluators. Summary report of an IAEA advisory group meeting

International Nuclear Information System (INIS)

Muir, D.W.; Pronyaev, V.G.

1998-03-01

The international network of nuclear structure and decay data (NSDD) evaluators aims at a complete and periodic nuclear structure and decay data evaluation of all nuclides, the continuous publication of these evaluations and their dissemination to the scientific community. The evaluated data resulting from this concerted international effort are introduced in the Evaluated Structure and Decay Data File (ENSDF) and published in the journals Nuclear Physics A and Nuclear Data Sheets. Periodic meetings of this network are held in order to maintain the coordination of all centres and groups participating in the compilation, evaluation and dissemination of NSDD, to maintain and improve the standards and rules governing NSDS evaluation, and to review the development and common use of the computerized systems and databases maintained specifically for this activity. This document is a summary report of the twelfth Meeting on the Coordination of the NSDD Evaluators held between 14-18 October 1996 in Budapest, Hungary

Application of the generator coordinates method to the intra-molecular proton tunneling in the malonaldehyde molecule

International Nuclear Information System (INIS)

Schmidt, Andre Campos Kersten

1995-01-01

The effects of different vibrational modes on the isomerization process of polyatomic molecules, or solvent's effects on reaction rates are object of up-to-date interest. In general, such many body phenomena are, in principle, multidimensional, and they first require a reduction of relevant degrees of freedom. In order to investigated, some aspects of the intra-molecular proton tunneling on a malonaldehyde molecule, we use the Generator Coordinate Method. The model used to describe such a process is the so-called System-Bath model, where the system is the reaction coordinate and the bath are the intrinsic degrees of freedom (vibrational modes of the molecule), which are described by a harmonic oscillator set linearly coupled to the system. The reduction of the multidimensional problem to the effective unidimensional one is done using a energy related variational principle on the intrinsic degrees of freedom. we obtained analytically a effective Hamiltonian where the effects of the various degrees of freedom reveal themselves in the appearance of a effective mass and in changes of the shape of the potential barrier. The analyticity of the method was crucial on identifying clearly the roles played by the different physical parameters involved. (author)

Report of the fourth International Workshop on molecular blood group genotyping

NARCIS (Netherlands)

Daniels, G.; van der Schoot, C. E.; Olsson, M. L.

2011-01-01

The fourth International Society of Blood Transfusion (ISBT) workshop on molecular blood group genotyping was held in 2010, with a feedback meeting at the ISBT Congress in Berlin, Germany. Fifty laboratories participated, 17 more than in 2008. Six samples were distributed. Samples 1-3 were DNA

Management of water hyacinth: Final meeting and international conference. Working paper submitted by the Regional Coordinator

International Nuclear Information System (INIS)

1981-01-01

Full text: Final Meeting. This meeting will essentially make a terminal review of the project and register final records of work done on the various aspects, such as: - biology of the plant; - biological control; - biogas; - wastewater treatment; - papers and boards; - integrated systems, etc. We should have at the meeting a complete account of the work done in the project under each of the above headings. For example, under 'biogas' we should prepare one consolidated account of work carried out in all the three participating countries rather than individual country reports. Likewise on 'papers and boards', and the other items. To enable preparation of reports in this form there should naturally be prior consultations and contacts among the concerned investigators by correspondence and, if necessary, personal visits. These reports will then be edited and compiled by the Regional Coordinator in the form of a book or monograph on the Management of Water Hyacinth project as a whole. Contributors to chapters will be cited. International Conference. Independent of the consolidated reports, national coordinators may prepare papers for presentation at the proposed international conference. These papers could be prepared m the usual form and style for publication in international scientific journals. Although several papers could be prepared out of work done by us, we may consider the desirability of limiting the number, in order to give adequate opportunities for the other invited participants to the conference. There would be no bar on publication of these scientific papers after the conference in appropriate journals irrespective of whether a separate volume on proceedings of the conference is brought out or not. India would be happy to host the terminal review meeting to be followed by the conference. The likely period would be last week of January to first week in February, 1983. (author)

Proceedings of the international conference on molecular spectroscopy of advanced materials and biomolecules

International Nuclear Information System (INIS)

Sajan, D.

2012-01-01

This conference was an effort towards exploring advanced applications, with emphasis on recent trends in the Infrared and Raman spectra of advanced materials and biomolecules. The conference topics focused on a wide range of molecular spectroscopy, yet connected with molecular biological systems and materials. As molecular spectroscopy is finding tremendous significance in various fields of materials science, biomedical, pharmaceutical, planetary, mineral and forensic sciences, IMSAB 2012, provided a very dynamic and interactive platform for the international scientific community specializing in the field. Papers relevant to INIS are indexed separately

An algorithm for mass matrix calculation of internally constrained molecular geometries

International Nuclear Information System (INIS)

Aryanpour, Masoud; Dhanda, Abhishek; Pitsch, Heinz

2008-01-01

Dynamic models for molecular systems require the determination of corresponding mass matrix. For constrained geometries, these computations are often not trivial but need special considerations. Here, assembling the mass matrix of internally constrained molecular structures is formulated as an optimization problem. Analytical expressions are derived for the solution of the different possible cases depending on the rank of the constraint matrix. Geometrical interpretations are further used to enhance the solution concept. As an application, we evaluate the mass matrix for a constrained molecule undergoing an electron-transfer reaction. The preexponential factor for this reaction is computed based on the harmonic model

An algorithm for mass matrix calculation of internally constrained molecular geometries.

Science.gov (United States)

Aryanpour, Masoud; Dhanda, Abhishek; Pitsch, Heinz

2008-01-28

Dynamic models for molecular systems require the determination of corresponding mass matrix. For constrained geometries, these computations are often not trivial but need special considerations. Here, assembling the mass matrix of internally constrained molecular structures is formulated as an optimization problem. Analytical expressions are derived for the solution of the different possible cases depending on the rank of the constraint matrix. Geometrical interpretations are further used to enhance the solution concept. As an application, we evaluate the mass matrix for a constrained molecule undergoing an electron-transfer reaction. The preexponential factor for this reaction is computed based on the harmonic model.

Electron collisions and internal excitation in stored molecular ion beams

International Nuclear Information System (INIS)

Buhr, H.

2006-01-01

In storage ring experiments the role, which the initial internal excitation of a molecular ion can play in electron collisions, and the effect of these collisions on the internal excitation are investigated. Dissociative recombination (DR) and inelastic and super-elastic collisions are studied in the system of He + 2 . The DR rate coefficient at low energies depends strongly on the initial vibrational excitation in this system. Therefore changes in the DR rate coefficient are a very sensitive probe for changes in the vibrational excitation in He + 2 , which is used to investigate the effects of collisions with electrons and residual gas species. The low-energy DR of HD + is rich with resonances from the indirect DR process, when certain initial rotational levels in the molecular ion are coupled to levels in neutral Rydberg states lying below the ion state. Using new procedures for high-resolution electron-ion collision spectroscopy developed here, these resonances in the DR cross section can be measured with high energy sensitivity. This allows a detailed comparison with results of a MQDT calculation in an effort to assign some or all of the resonances to certain intermediate Rydberg levels. (orig.)

Electron collisions and internal excitation in stored molecular ion beams

Energy Technology Data Exchange (ETDEWEB)

Buhr, H.

2006-07-26

In storage ring experiments the role, which the initial internal excitation of a molecular ion can play in electron collisions, and the effect of these collisions on the internal excitation are investigated. Dissociative recombination (DR) and inelastic and super-elastic collisions are studied in the system of He{sup +}{sub 2}. The DR rate coefficient at low energies depends strongly on the initial vibrational excitation in this system. Therefore changes in the DR rate coefficient are a very sensitive probe for changes in the vibrational excitation in He{sup +}{sub 2}, which is used to investigate the effects of collisions with electrons and residual gas species. The low-energy DR of HD{sup +} is rich with resonances from the indirect DR process, when certain initial rotational levels in the molecular ion are coupled to levels in neutral Rydberg states lying below the ion state. Using new procedures for high-resolution electron-ion collision spectroscopy developed here, these resonances in the DR cross section can be measured with high energy sensitivity. This allows a detailed comparison with results of a MQDT calculation in an effort to assign some or all of the resonances to certain intermediate Rydberg levels. (orig.)

Brownian diode: Molecular motor based on a semi-permeable Brownian particle with internal potential drop

International Nuclear Information System (INIS)

Plyukhin, A.V.

2013-01-01

A model of an autonomous isothermal Brownian motor with an internal propulsion mechanism is considered. The motor is a Brownian particle which is semi-transparent for molecules of surrounding ideal gas. Molecular passage through the particle is controlled by a potential similar to that in the transition rate theory, i.e. characterized by two stationary states with a finite energy difference separated by a potential barrier. The internal potential drop maintains the diode-like asymmetry of molecular fluxes through the particle, which results in the particle's stationary drift.

International Assistance for Low-Emission Development Planning: Coordinated Low Emissions Assistance Network (CLEAN) Inventory of Activities and Tools--Preliminary Trends

Energy Technology Data Exchange (ETDEWEB)

Cox, S.; Benioff, R.

2011-05-01

The Coordinated Low Emissions Assistance Network (CLEAN) is a voluntary network of international practitioners supporting low-emission planning in developing countries. The network seeks to improve quality of support through sharing project information, tools, best practices and lessons, and by fostering harmonized assistance. CLEAN has developed an inventory to track and analyze international technical support and tools for low-carbon planning activities in developing countries. This paper presents a preliminary analysis of the inventory to help identify trends in assistance activities and tools available to support developing countries with low-emission planning.

In vitro molecular machine learning algorithm via symmetric internal loops of DNA.

Science.gov (United States)

Lee, Ji-Hoon; Lee, Seung Hwan; Baek, Christina; Chun, Hyosun; Ryu, Je-Hwan; Kim, Jin-Woo; Deaton, Russell; Zhang, Byoung-Tak

2017-08-01

Programmable biomolecules, such as DNA strands, deoxyribozymes, and restriction enzymes, have been used to solve computational problems, construct large-scale logic circuits, and program simple molecular games. Although studies have shown the potential of molecular computing, the capability of computational learning with DNA molecules, i.e., molecular machine learning, has yet to be experimentally verified. Here, we present a novel molecular learning in vitro model in which symmetric internal loops of double-stranded DNA are exploited to measure the differences between training instances, thus enabling the molecules to learn from small errors. The model was evaluated on a data set of twenty dialogue sentences obtained from the television shows Friends and Prison Break. The wet DNA-computing experiments confirmed that the molecular learning machine was able to generalize the dialogue patterns of each show and successfully identify the show from which the sentences originated. The molecular machine learning model described here opens the way for solving machine learning problems in computer science and biology using in vitro molecular computing with the data encoded in DNA molecules. Copyright © 2017. Published by Elsevier B.V.

Quantum mechanical fragment methods based on partitioning atoms or partitioning coordinates.

Science.gov (United States)

Wang, Bo; Yang, Ke R; Xu, Xuefei; Isegawa, Miho; Leverentz, Hannah R; Truhlar, Donald G

2014-09-16

atoms for capping dangling bonds, and we have shown that they can greatly improve the accuracy. Finally we present a new approach that goes beyond QM/MM by combining the convenience of molecular mechanics with the accuracy of fitting a potential function to electronic structure calculations on a specific system. To make the latter practical for systems with a large number of degrees of freedom, we developed a method to interpolate between local internal-coordinate fits to the potential energy. A key issue for the application to large systems is that rather than assigning the atoms or monomers to fragments, we assign the internal coordinates to reaction, secondary, and tertiary sets. Thus, we make a partition in coordinate space rather than atom space. Fits to the local dependence of the potential energy on tertiary coordinates are arrayed along a preselected reaction coordinate at a sequence of geometries called anchor points; the potential energy function is called an anchor points reactive potential. Electrostatically embedded fragment methods and the anchor points reactive potential, because they are based on treating an entire system by quantum mechanical electronic structure methods but are affordable for large and complex systems, have the potential to open new areas for accurate simulations where combined QM/MM methods are inadequate.

International bulletin on atomic and molecular data for fusion. Nos. 50-51

International Nuclear Information System (INIS)

Botero, J.; Stephens, J.A.

1996-10-01

This bulletin is published by the International Atomic Energy Agency to provide atomic and molecular data relevant to fusion research and technology. In part 1 the indexed papers are listed separately for (i) structure and spectra (energy levels, wavelengths, transition probabilities, oscillator strengths, polarizabilities, electric moments, interatomic potentials); (ii) atomic and molecular collisions (photon collisions, electron collisions, heavy-particle collisions); and (iii) surface interactions (sputtering, chemical reactions, trapping and detrapping, adsorption, desorption, reflection, and secondary electron emission). Part 2 contains the bibliographic data, essentially for the above listed topics

26 CFR 1.411(d)-1 - Coordination of vesting and discrimination requirements. [Reserved

Science.gov (United States)

2010-04-01

... 26 Internal Revenue 5 2010-04-01 2010-04-01 false Coordination of vesting and discrimination requirements. [Reserved] 1.411(d)-1 Section 1.411(d)-1 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF... Plans, Etc. § 1.411(d)-1 Coordination of vesting and discrimination requirements. [Reserved] ...

Custom Coordination Environments for Lanthanoids: Tripodal Ligands Achieve Near-Perfect Octahedral Coordination for Two Dysprosium-Based Molecular Nanomagnets.

Science.gov (United States)

Lim, Kwang Soo; Baldoví, José J; Jiang, ShangDa; Koo, Bong Ho; Kang, Dong Won; Lee, Woo Ram; Koh, Eui Kwan; Gaita-Ariño, Alejandro; Coronado, Eugenio; Slota, Michael; Bogani, Lapo; Hong, Chang Seop

2017-05-01

Controlling the coordination sphere of lanthanoid complexes is a challenging critical step toward controlling their relaxation properties. Here we present the synthesis of hexacoordinated dysprosium single-molecule magnets, where tripodal ligands achieve a near-perfect octahedral coordination. We perform a complete experimental and theoretical investigation of their magnetic properties, including a full single-crystal magnetic anisotropy analysis. The combination of electrostatic and crystal-field computational tools (SIMPRE and CONDON codes) allows us to explain the static behavior of these systems in detail.

Fourth and final research co-ordination meeting for the coordinated research project on 'Comparative international studies of osteoporosis using isotopic techniques'. Summary report

International Nuclear Information System (INIS)

Iyengar, G.V.; Mokhtar, N.

2002-01-01

In 1994, the International Atomic Energy Agency started the five-year Co-ordinated Research Project (CRP) on Comparative International Studies of Osteoporosis Using Isotope Techniques. The objectives of this study were: To harmonize the techniques of measuring BMD within the participating countries and to obtain data that can be compared between the different study groups (countries); To determine whether early adult PBM varies between populations over the age range from 15 to 50 years. In other words, to determine the age of peak bone mass in selected populations from developing countries; To explore environmental and nutritional contributions to any determined differences. Further information about the purpose and scope of the CRP may be found in the report of the Advisory Group Meeting (AGM) held in 19921 and other reports of this CRP. Since the last RCM held in 1998, the CRP participants have gathered up more data on BMD. Indeed 3488 subjects 15-50 years) have been recruited for the purpose of this project and have been stratified equally by sex and age into six -year age bands. Most of the participants have also completed collecting data on dietary intake, medical history, physical exercise, and lifestyle, as suggested in the VrHO questionnaire. Some participants have analyzed trace elements in a number of bone samples as well. One of the most important purposes of this CRP is to obtain harmonized data on BMD that is comparable from one study group to another. To ensure this quality insurance, the densitometers in each center were cross calibrated using a European Spine Phantom (ESP). Further-more, day-to-day control of DEXA machines was managed by each individual center. The fourth Research Co-ordination Meeting (RCM) for participants of the CRP, which is the subject of the present report, was held at the University of Sheffield Medical School; WHO Collaborating Center for Metabolic Bone Diseases in Sheffield, UK from 28 Feb. to 3 March 2000

Molecular Diagnostics of the Internal Structure of Starspots and Sunspots

Science.gov (United States)

Afram, N.; Berdyugina, S. V.; Fluri, D. M.; Solanki, S. K.; Lagg, A.; Petit, P.; Arnaud, J.

2006-12-01

We have analyzed the usefulness of molecules as a diagnostic tool for studying solar and stellar magnetism with the molecular Zeeman and Paschen-Back effects. In the first part we concentrate on molecules that are observed in sunspots such as MgH and TiO. We present calculated molecular line profiles obtained by assuming magnetic fields of 2-3 kG and compare these synthetic Stokes profiles with spectro-polarimetric observations in sunspots. The good agreement between the theory and observations allows us to turn our attention in the second part to starspots to gain insight into their internal structure. We investigate the temperature range in which the selected molecules can serve as indicators for magnetic fields on highly active cool stars and compare synthetic Stokes profiles with our recent observations.

Synthesis of one-dimensional metal-containing insulated molecular wire with versatile properties directed toward molecular electronics materials.

Science.gov (United States)

Masai, Hiroshi; Terao, Jun; Seki, Shu; Nakashima, Shigeto; Kiguchi, Manabu; Okoshi, Kento; Fujihara, Tetsuaki; Tsuji, Yasushi

2014-02-05

We report, herein, the design, synthesis, and properties of new materials directed toward molecular electronics. A transition metal-containing insulated molecular wire was synthesized through the coordination polymerization of a Ru(II) porphyrin with an insulated bridging ligand of well-defined structure. The wire displayed not only high linearity and rigidity, but also high intramolecular charge mobility. Owing to the unique properties of the coordination bond, the interconversion between the monomer and polymer states was realized under a carbon monoxide atmosphere or UV irradiation. The results demonstrated a high potential of the metal-containing insulated molecular wire for applications in molecular electronics.

Conserving Coherence and Storing Energy during Internal Conversion: Photoinduced Dynamics of cis- and trans-Azobenzene Radical Cations

KAUST Repository

Munkerup, Kristin

2017-10-24

Light harvesting via energy storage in azobenzene has been a key topic for decades, and the process of energy distribution over the molecular degrees of freedom following photoexcitation remains to be understood. Dynamics of a photoexcited system can exhibit high degrees of non-ergodicity when it is driven by just a few degrees of freedom. Typically, an internal conversion leads to the loss of such localization of dynamics, as the intramolecular energy becomes statistically redistributed over all molecular degrees of freedom. Here, we present a unique case where the excitation energy remains localized even subsequent to internal conversion. Strong-field ionization is used to prepare cis- and trans-azobenzene radical cations on the D1 surface with little excess energy, at the equilibrium neutral geometry. These D1 ions are preferably formed because in this case D1 and D0 switch place in the presence of the strong laser field. The post-ionization dynamics is dictated by the potential energy landscape. The D1 surface is steep downhill along the cis/trans isomerization coordinate and towards a common minimum shared by the two isomers in the region of D1/D0 conical intersection. Coherent cis/trans torsional motion along this coordinate is manifested in the ion transients by a cosine modulation. In this scenario, D0 becomes populated with molecules that are energized mainly along the cis-trans isomerization coordinate, with the kinetic energy above the cis-trans inter-conversion barrier. These activated azobenzene molecules easily cycle back and forth along the D0 surface, and give rise to several periods of modulated signal before coherence is lost. This persistent localization of the internal energy during internal conversion is provided by the steep downhill potential energy surface, small initial internal energy content, and a strong hole-lone pair interaction that drives the molecule along the cis-trans isomerization coordinate to facilitate the transition between

A General Model of Sensitized Luminescence in Lanthanide-Based Coordination Polymers and Metal-Organic Framework Materials.

Science.gov (United States)

Einkauf, Jeffrey D; Clark, Jessica M; Paulive, Alec; Tanner, Garrett P; de Lill, Daniel T

2017-05-15

Luminescent lanthanides containing coordination polymers and metal-organic frameworks hold great potential in many applications due to their distinctive spectroscopic properties. While the ability to design coordination polymers for specific functions is often mentioned as a major benefit bestowed on these compounds, the lack of a meaningful understanding of the luminescence in lanthanide coordination polymers remains a significant challenge toward functional design. Currently, the study of these compounds is based on the antenna effect as derived from molecular systems, where organic antennae are used to facilitate lanthanide-centered luminescence. This molecular-based approach does not take into account the unique features of extended network solids, particularly the formation of band structure. While guidelines for the antenna effect are well established, they require modification before being applied to coordination polymers. A series of nine coordination polymers with varying topologies and organic linkers were studied to investigate the accuracy of the antenna effect in coordination polymer systems. By comparing a molecular-based approach to a band-based one, it was determined that the band structure that occurs in aggregated organic solids needs to be considered when evaluating the luminescence of lanthanide coordination polymers.

Use of mass spectrometry for study of coordination compounds

International Nuclear Information System (INIS)

Gehrbehlehu, N.V.; Indrichan, K.M.

1981-01-01

A review on mass-spectrometry of coordination compounds including the works published up to 1979 inclusive is provided. Mainly the products of metals with bi- and tetradentate ligands are considered using the method. Mo and Be carboxylates for which molecular ions lines are found in mass-spectra are studied. The study of mass-spectra for VO chelates with thiosemicarbazone of salicyl aldehyde is carried out. Application of the mass-spectrometry method permits to establish the mass of coordination compounds, the structure of complexes, dentate structure and the way of ligand coordination, the bond strength [ru

Simultaneous observation of chemomechanical coupling of a molecular motor.

Science.gov (United States)

Nishizaka, Takayuki; Hasimoto, Yuh; Masaike, Tomoko

2011-01-01

F(1)-ATPase is the smallest rotary molecular motor ever found. Unidirectional rotation of the γ-shaft is driven by precisely coordinated sequential ATP hydrolysis reactions in three catalytic sites arranged 120° apart in the cylinder. Single-molecule observation allows us to directly watch the rotation of the shaft using micron-sized plastic beads. Additionally, an advanced version of "total internal reflection fluorescence microscope (TIRFM)" enables us to detect binding and release of energy currency through fluorescently labeled ATP. In this chapter, we describe how to set up the system for simultaneous observation of these two critical events. This specialized optical setup is applicable to a variety of research, not only molecular motors but also other single-molecule topics.

How to achieve care coordination inside health care organizations

DEFF Research Database (Denmark)

Prætorius, Thim; C. Becker, Markus

2015-01-01

Understanding how health care organizations can achieve care coordination internally is essential because it is difficult to achieve, but essential for high quality and efficient health care delivery. This article offers an answer by providing a synthesis of knowledge about coordination from...

Geographic asymmetries of the Viking auroral distribution: Implications for ionospheric coordinate systems

International Nuclear Information System (INIS)

Hearn, D.J.; Elphinstone, R.D.; Murphree, J.S.; Cogger, L.L.

1993-01-01

Viking images of the auroral distribution have been used to investigate the relevance of various ionospheric coordinate systems. An important aspect of the large-scale auroral shape is its dependence on the asymmetries of the Earth's internal field. Model predictions of where the aurora occurs, using the equatorial plane's volume current density, agree with observations and imply that the internal field plays a more important role that generally believed. Historically, the belief that the internal field has only small effects seems to stem from the widespread use of the corrected geomagnetic and invariant coordinate systems. These systems involve the mapping of field lines and have advantages in statistical studies and comparisons; less sophisticated systems such as the eccentric dipole coordinate system should be used in individual studies and in studies involving differentiation or integration of some observational parameters. Observations of the auraoral distribution are give to illustrate the universal time, tilt angle, and Kp variability in different coordinate systems and demonstrate that the dominant variability of the aurora is due to internal field asymmetries. A new set of coordinate systems are briefly developed as examples of how to incorporate external field models into studies of auraoral images. It is proposed that the one of these coordinate systems can be used as a test of how well an external field model can match observed auroral distributions. 19 refs., 1 tab

Towards an International Polar Data Coordination Network

Directory of Open Access Journals (Sweden)

P L Pulsifer

2014-10-01

Full Text Available Data management is integral to sound polar science. Through analysis of documents reporting on meetings of the Arctic data management community, a set of priorities and strategies are identified. These include the need to improve data sharing, make use of existing resources, and better engage stakeholders. Network theory is applied to a preliminary inventory of polar and global data management actors to improve understanding of the emerging community of practice. Under the name the Arctic Data Coordination Network, we propose a model network that can support the community in achieving their goals through improving connectivity between existing actors.

Coordination of international multicenter studies: governance and administrative structure

Directory of Open Access Journals (Sweden)

Bangdiwala Shrikant I.

2003-01-01

Full Text Available A well-conducted multicenter study needs to assure standardization, uniformity of procedures, high data quality, and collaboration across sites. This manuscript describes the organization and dynamics of multicenter studies, focusing on governance and administrative structures among countries of diverse cultures. The organizational structure of a multicenter study is described, and a system for oversight and coordination, along with roles and responsibilities of participants in the multicenter study, are presented. The elements of a governance document are also reviewed, along with guidelines and policies for effective collaboration. The experience of an ongoing multi-country collaboration, the World Studies of Abuse in the Family Environment (WorldSAFE, illustrates the implementation of these guidelines. It is essential that multicenter studies have an objective coordinating center and that the investigators jointly develop a written governance document to enable collaboration and preserve collegiality among participating investigators.

International bulletin on atomic and molecular data for fusion. No. 42-45

International Nuclear Information System (INIS)

Botero, J.

1991-01-01

The bulletin is published by the International Atomic Energy Agency to provide atomic and molecular data relevant to fusion research and technology. In Part I the indexed papers are listed separately for (i) structure and spectra (energy levels, wavelengths; transition probabilities, oscillator strengths; polarizabilities, electric moments; interatomic potentials); (ii) atomic and molecular collisions (photon collisions; electro collisions; heavy-particle collisions; homonuclear sequences), and (iii) surface interactions (sputtering; trapping, detrapping; adsorption, desorption; surface damage; blistering, flaking; chemical reactions). Part II contains the bibliographic data for the above listed topics and for plasma composition and impurities; plasma heating, cooling and fuelling; fusion research of general interest; high energy laser- and beam-matter interaction; interaction of atomic particles with fields. A list of evaluated data bases on atomic and molecular collisions and on particle-surface interactions is also given

International outage coding system for nuclear power plants. Results of a co-ordinated research project

International Nuclear Information System (INIS)

2004-05-01

The experience obtained in each individual plant constitutes the most relevant source of information for improving its performance. However, experience of the level of the utility, country and worldwide is also extremely valuable, because there are limitations to what can be learned from in-house experience. But learning from the experience of others is admittedly difficult, if the information is not harmonized. Therefore, such systems should be standardized and applicable to all types of reactors satisfying the needs of the broad set of nuclear power plant operators worldwide and allowing experience to be shared internationally. To cope with the considerable amount of information gathered from nuclear power plants worldwide, it is necessary to codify the information facilitating the identification of causes of outages, systems or component failures. Therefore, the IAEA established a sponsored Co-ordinated Research Project (CRP) on the International Outage Coding System to develop a general, internationally applicable system of coding nuclear power plant outages, providing worldwide nuclear utilities with a standardized tool for reporting outage information. This TECDOC summarizes the results of this CRP and provides information for transformation of the historical outage data into the new coding system, taking into consideration the existing systems for coding nuclear power plant events (WANO, IAEA-IRS and IAEA PRIS) but avoiding duplication of efforts to the maximum possible extent

Atomic and molecular data for radiotherapy

International Nuclear Information System (INIS)

Okamoto, K.

1989-03-01

This is the summary report of the First Research Co-ordination Meeting of the IAEA Co-ordinated Research Programme (CRP) on Atomic and Molecular Data for Radiotherapy, convened by the IAEA Nuclear Data Section in Vienna, from 30 January to 2 February 1989. The main objectives of the CRP are to generate, compile and evaluate the important atomic and molecular data relevant to radiotherapy. (author). 38 refs, 7 figs, 10 tabs

The coordinated development of China＇ s inland water transport%The coordinated development of China' s inland water transport

Institute of Scientific and Technical Information of China (English)

Deng Aimin; Tian Feng; Haasis H.D; Mao Lang; Cai Jia

2012-01-01

The coordinated development is the core of sustainable development and the hot issue of international research. Inland water transport (IWT) is an important part of the water resources exploiting system and comprehensive transport system under socio-economic context of river basin, and also the country' s sustainable development priorities to achieve resource-conserving and environment-friendly strategy. Based on the coordinated development content, the paper combined Germany' s successful development experience, explored the elements and problem of the coordinated development of IWT system of China' s national economic strategy and basin economy, water resourse system, comprehensive transport system, and system itself, and their countermeasures and suggestions, in order to facilitate rapid and coordinated development of China' s inland water transport.

International bulletin on atomic and molecular data for fusion. No. 54-55

International Nuclear Information System (INIS)

Stephens, J.A.

1998-12-01

This bulletin is published by the International Atomic Energy Agency to provide atomic and molecular data relevant to fusion research and technology. In the first part the indexed papers are listed separately for (i) structure and spectra (energy levels, wavelengths, transition probabilities, oscillator strengths, polarizabilities, electric moments, interatomic potentials), (ii) atomic and molecular collisions (photon collisions, electron collisions, heavy-particle collisions), and (iii) surface interactions (sputtering, chemical reactions, trapping and detrapping, adsorption, desorption, reflection, and secondary electron emission). There are also chapters with beam-matter interactions and data on interactions of atomic particles with fields. In the second Part contains the bibliographic data, essentially for the above listed topics

On the calculation of internal forces in mechanically stressed polyatomic molecules

International Nuclear Information System (INIS)

Avdoshenko, Stanislav M.; Konda, Sai Sriharsha M.; Makarov, Dmitrii E.

2014-01-01

We discuss how to define and to compute internal forces in a molecule subjected to mechanical stress. Because of the inherently many-body character of intramolecular interactions, internal forces cannot be uniquely defined without specifying a set of internal coordinates used to describe the molecular structure. When such a set is comprised of 3N − 6 interactomic distances (N being the number of atoms) and includes the bond lengths of interest, we show that the associated forces, while satisfying the equation F = ∂V/∂R (where R is the bond length, F is the internal force in this bond, and V is the potential energy of the molecule), can be determined from the molecular geometry alone. We illustrate these ideas using several toy models ranging from small molecules to a graphene sheet and show that the magnitude of the internal force in a bond is not necessarily a good predictor of its strength in response to mechanical loading. At the same time, analysis of internal forces reveals interesting phenomena such as the force multiplication effect, where weak external forces may, e.g., be used to break strong bonds, and offers insight into the catch-bond phenomenon where chemical reactivity is suppressed through application of a force

Developing a Patient Care Co-ordination Centre in Trafford, England: lessons from the International Foundation for Integrated Care (IFIC/Advancing Quality Alliance integrated care fellowship experience

Directory of Open Access Journals (Sweden)

Michael Gregory

2015-05-01

Full Text Available The NHS and Social Care in England are facing one of the biggest financial challenges for a generation. Commissioners and providers need to work on collaborative schemes to manage the increasing demand on health and social care within a period of financial constraint. Different forms of care co-ordination have been developed at different levels across the world.In the north-west of England, the Trafford health and social care economy have been working through a competitive dialogue process with industry to develop an innovative and dynamic solution to deliver seamless co-ordination for all patients and service users. The strategy is to develop a new Patient Care Co-ordination Centre, which will be responsible for the delivery of co-ordinated, quality care. The Patient Care Co-ordination Centre will work at clinical, service, functional and community levels across multiple providers covering risk stratification, preventative, elective and unscheduled care.I am the clinical lead for the Patient Care Co-ordination Centre and during my year as an Advancing Quality Alliance Integrated Care Fellow, I have had the opportunity to study examples of care coordination from UK and international sites. The learning from these visits has been assimilated into the design process of the Patient Care Co-ordination Centre.

Developing a Patient Care Co-ordination Centre in Trafford, England: lessons from the International Foundation for Integrated Care (IFIC)/Advancing Quality Alliance integrated care fellowship experience.

Science.gov (United States)

Gregory, Michael

2015-01-01

The NHS and Social Care in England are facing one of the biggest financial challenges for a generation. Commissioners and providers need to work on collaborative schemes to manage the increasing demand on health and social care within a period of financial constraint. Different forms of care co-ordination have been developed at different levels across the world. In the north-west of England, the Trafford health and social care economy have been working through a competitive dialogue process with industry to develop an innovative and dynamic solution to deliver seamless co-ordination for all patients and service users. The strategy is to develop a new Patient Care Co-ordination Centre, which will be responsible for the delivery of co-ordinated, quality care. The Patient Care Co-ordination Centre will work at clinical, service, functional and community levels across multiple providers covering risk stratification, preventative, elective and unscheduled care. I am the clinical lead for the Patient Care Co-ordination Centre and during my year as an Advancing Quality Alliance Integrated Care Fellow, I have had the opportunity to study examples of care coordination from UK and international sites. The learning from these visits has been assimilated into the design process of the Patient Care Co-ordination Centre.

Developing a Patient Care Co-ordination Centre in Trafford, England: lessons from the International Foundation for Integrated Care (IFIC/Advancing Quality Alliance integrated care fellowship experience

Directory of Open Access Journals (Sweden)

Michael Gregory

2015-05-01

Full Text Available The NHS and Social Care in England are facing one of the biggest financial challenges for a generation. Commissioners and providers need to work on collaborative schemes to manage the increasing demand on health and social care within a period of financial constraint. Different forms of care co-ordination have been developed at different levels across the world. In the north-west of England, the Trafford health and social care economy have been working through a competitive dialogue process with industry to develop an innovative and dynamic solution to deliver seamless co-ordination for all patients and service users. The strategy is to develop a new Patient Care Co-ordination Centre, which will be responsible for the delivery of co-ordinated, quality care. The Patient Care Co-ordination Centre will work at clinical, service, functional and community levels across multiple providers covering risk stratification, preventative, elective and unscheduled care. I am the clinical lead for the Patient Care Co-ordination Centre and during my year as an Advancing Quality Alliance Integrated Care Fellow, I have had the opportunity to study examples of care coordination from UK and international sites. The learning from these visits has been assimilated into the design process of the Patient Care Co-ordination Centre.

Revisiting Vertical Models To Simulate the Line Shape of Electronic Spectra Adopting Cartesian and Internal Coordinates.

Science.gov (United States)

Cerezo, Javier; Santoro, Fabrizio

2016-10-11

Vertical models for the simulation of spectroscopic line shapes expand the potential energy surface (PES) of the final state around the equilibrium geometry of the initial state. These models provide, in principle, a better approximation of the region of the band maximum. At variance, adiabatic models expand each PES around its own minimum. In the harmonic approximation, when the minimum energy structures of the two electronic states are connected by large structural displacements, adiabatic models can breakdown and are outperformed by vertical models. However, the practical application of vertical models faces the issues related to the necessity to perform a frequency analysis at a nonstationary point. In this contribution we revisit vertical models in harmonic approximation adopting both Cartesian (x) and valence internal curvilinear coordinates (s). We show that when x coordinates are used, the vibrational analysis at nonstationary points leads to a deficient description of low-frequency modes, for which spurious imaginary frequencies may even appear. This issue is solved when s coordinates are adopted. It is however necessary to account for the second derivative of s with respect to x, which here we compute analytically. We compare the performance of the vertical model in the s-frame with respect to adiabatic models and previously proposed vertical models in x- or Q 1 -frame, where Q 1 are the normal coordinates of the initial state computed as combination of Cartesian coordinates. We show that for rigid molecules the vertical approach in the s-frame provides a description of the final state very close to the adiabatic picture. For sizable displacements it is a solid alternative to adiabatic models, and it is not affected by the issues of vertical models in x- and Q 1 -frames, which mainly arise when temperature effects are included. In principle the G matrix depends on s, and this creates nonorthogonality problems of the Duschinsky matrix connecting the normal

Coordinating knowledge transfer within manufacturing networks

DEFF Research Database (Denmark)

Yang, Cheng; Johansen, John; Boer, Harry

2008-01-01

Along with increasing globalization, the management of international manufacturing networks is becoming increasingly important for industrial companies. This paper mainly focuses on the coordination of knowledge transfer within manufacturing networks. In this context, we propose the time......-place matrix as a tool for mapping the distribution of knowledge within manufacturing networks. Using this tool, four important questions about the coordination of knowledge transfer within a manufacturing network are identified: know-where, know-what, know-when, know-how to transfer. The relationships among...

Metal–organic coordinated multilayer film formation: Quantitative analysis of composition and structure

Energy Technology Data Exchange (ETDEWEB)

Benson, Alexandra S.; Elinski, Meagan B.; Ohnsorg, Monica L.; Beaudoin, Christopher K.; Alexander, Kyle A.; Peaslee, Graham F.; DeYoung, Paul A.; Anderson, Mary E., E-mail: meanderson@hope.edu

2015-09-01

Metal–organic coordinated multilayers are self-assembled thin films fabricated by alternating solution–phase deposition of bifunctional organic molecules and metal ions. The multilayer film composed of α,ω-mercaptoalkanoic acid and Cu (II) has been the focus of fundamental and applied research with its robust reproducibility and seemingly simple hierarchical architecture. However, internal structure and composition have not been unambiguously established. The composition of films up to thirty layers thick was investigated using Rutherford backscattering spectrometry and particle induced X-ray emission. Findings show these films are copper enriched, elucidating a 2:1 ratio for the ion to molecule complexation at the metal–organic interface. Results also reveal that these films have an average layer density similar to literature values established for a self-assembled monolayer, indicating a robust and stable structure. The surface structures of multilayer films have been characterized by contact angle goniometry, ellipsometry, and scanning probe microscopy. A morphological transition is observed as film thickness increases from the first few foundational layers to films containing five or more layers. Surface roughness analysis quantifies this evolution as the film initially increases in roughness before obtaining a lower roughness comparable to the underlying gold substrate. Quantitative analysis of topographical structure and internal composition for metal–organic coordinated multilayers as a function of number of deposited layers has implications for their incorporation in the fields of photonics and nanolithography. - Highlights: • Layer-by-layer deposition is examined by scanning probe microscopy and ion beam analysis. • Film growth undergoes morphological evolution during foundational layer deposition. • Image analysis quantified surface features such as roughness, grain size, and coverage. • Molecular density of each film layer is found to

Molecular modeling of inorganic compounds

National Research Council Canada - National Science Library

Comba, Peter; Hambley, Trevor W; Martin, Bodo

2009-01-01

... mechanics to inorganic and coordination compounds. Initially, simple metal complexes were modeled, but recently the field has been extended to include organometallic compounds, catalysis and the interaction of metal ions with biological macromolecules. The application of molecular mechanics to coordination compounds is complicated by the numbe...

Second meeting of the Atomic and Molecular Data Centre network. Fontenay aux Roses, 23-24 May 1980

International Nuclear Information System (INIS)

Katsonis, K.

1980-11-01

Summary report of the Second A+M Data Centre Network (DCN) meeting convened by the IAEA Nuclear Data Section at the CEA Laboratory at Fontenay-aux-Roses, France, 23-24 May 1980. The meeting was attended by 20 representatives from centres and groups from six Member States concerned with the coordinated international management of atomic and molecular data pertinent to controlled fusion research and technology

Graphic Designer/Production Coordinator | IDRC - International ...

International Development Research Centre (IDRC) Digital Library (Canada)

Provides design and graphic services for print- and Web-based publishing;; Initiates designs and carries out ... process, ensuring that such suppliers meet appropriate standards of quality and service at reasonable cost; ... Internal Services.

International bulletin on atomic and molecular data for fusion. No. 11

International Nuclear Information System (INIS)

Katsonis, K.; Rumble, J. Jr.

1980-01-01

This bulletin deals with atomic and molecular data for fusion. A bibliography for the most recent data presented in the document is provided. Work in progress is briefly reported. The bulletin contains a list of references the publications on controlled fusion and plasma physics for 1979. It contains an index to the contributed papers presented at the 11th International Conference on the Physics of Electronics and Atomic Collision (ICPEAC) held in Kyoto (Japan) in summer 1979

IAEA technical meeting: Assess and co-ordinate modelling needs and data providers. Summary report

International Nuclear Information System (INIS)

Clark, R.E.H.

2004-05-01

This report briefly describes the proceedings, conclusions and recommendations of the Technical Meeting to 'Assess and Co-ordinate Modelling Needs and Data Providers', held on 4-5 December 2003. Eight international experts on atomic and molecular data related to fusion energy research activities participated in the meeting. Each participant reviewed the current status of their own speciality and current lines of research as well as anticipated needs in new data for nuclear fusion energy research. Current CRPs on related topics were reviewed. In light of current research activities and anticipated data needs for fusion, a detailed set of tasks appropriate for a new CRP was developed. This meeting completely fulfilled the specified goals. (author)

State borders in ETRS89 coordinates – reality or fiction ?

Directory of Open Access Journals (Sweden)

Jiří Poláček

2015-12-01

Full Text Available Common unique ETRS89 coordinates of the state boundaries are crucial for cross-border data harmonization for international projects. In the frame of European Location Framework (ELF project Czech Office for Surveying, Mapping and Cadastre (ČÚZK cooperates with Poland on egde-matching on the state border. During the preliminary phase of the project was some difficulty identified. If the state boundary is measured and administered in the national coordinate system, the accuracy of the transformation into the ETRS89 is influenced by discrepancies of the local trigonometric network, which results in two slightly different state boundaries. Final solution for Europe – international treaties on the state borders based on the ETRS89 coordinates – is necessary, but it will take years.

Coordination of environmental policy for transboundary environmental problems?

Energy Technology Data Exchange (ETDEWEB)

Hoel, M.

1996-01-01

In order to reach a Pareto optimal outcome with transboundary environmental problems, there must be some kind of international agreement. One possibility would be an international agreement focusing directly on emissions in each country. Given such an agreement, an important issue is whether one should supplement the agreement with some kind of policy coordination, or if the choice of environmental policies should be left for each country to decide for itself. The present paper shows that under ``ideal`` conditions, policies need not be coordinated across countries. Such ideal conditions include, among other things, that all markets, including the labour market, are competitive. However, if one has imperfect competition in goods markets, or unemployment, it may be desirable to let an international environmental agreement not only specify emission levels, but also the policy mix between emission taxes and direct regulation. 16 refs.

Molecular [(Fe3)–(Fe3)] and [(Fe4)–(Fe4)] coordination cluster pairs as single or composite arrays.

Science.gov (United States)

Sañudo, E Carolina; Uber, Jorge Salinas; Pons Balagué, Alba; Roubeau, Olivier; Aromí, Guillem

2012-08-06

The synthesis of molecular cluster pairs is a challenge for coordination chemists due to the potential applications of these species in molecular spintronics or quantum computing. The ligand H(4)L, 1,3-bis-(3-oxo-3-(2-hydroxyphenyl)-propionyl)-2-methoxybenzene, has been successfully used to obtain a series of such complexes using the basic Fe(III) trinuclear carboxylates as starting materials. Synthetic control has allowed the isolation of the two molecular cluster pairs that form the composite [Fe(4)O(2)(PhCO(2))(6)(H(2)L)(pz)](2)[Fe(3)O(PhCO(2))(5)(py)(H(2)L)](2) (1). The dimers of trinuclear units, [Fe(3)O(PhCO(2))(5)(H(2)O)(H(2)L)](2) (2) and [Fe(3)O(o-MePhCO(2))(5)(H(2)L)(py)](2) (3), and the dimers of tetranuclear units, [Fe(4)O(2)(PhCO(2))(6)(H(2)L)(pz)](2) (4) and [Fe(4)O(2)(o-MePhCO(2))(6)(H(2)L)(pz)](2) (5), are presented here. The magnetic properties of the reported aggregates show that they are pairs of semi-independent clusters weakly interacting magnetically as required for two-qubit quantum gates.

Reversible Mechanochemistry of a PdII Coordination Polymer

NARCIS (Netherlands)

Paulusse, Jos Marie Johannes; Sijbesma, Rint P.

2004-01-01

Breaking up and making up: The ultrasonic cleavage of high-molecular-weight linear coordination polymers of phosphane telechelic polytetrahydrofuran and palladium dichloride in dilute solution is a reversible process (see picture). Sonication for 1 h led to a decrease in the weight-averaged

IAEA Co-ordinated Research Program (CRP)

International Nuclear Information System (INIS)

Schrenk, M.

2010-01-01

The Coordinated Research Project is a topical collection of research agreements and contracts. The research contracts are awarded with financial support of about 10-20% of the total contract cost. Among the activities of the project is the organization of consultant group meetings and workshops involving several international experts and representatives of users and developers of border radiation monitoring equipment. The project also supports in coordinating the development of equipment and techniques for up-to-date border monitoring and in establishing of a process for providing nuclear forensics support to member states

Report of the IAEA Nuclear Data Section to the International Nuclear Data Committee for the period January 2002 - December 2003

Energy Technology Data Exchange (ETDEWEB)

Nichols, Alan L [ed.

2004-05-01

This report contains descriptions of the major activities of the IAEA Nuclear Data Section in 2002 and 2003 for review by the International Nuclear Data Committee (INDC). Information is provided on the staff and budget, atomic, molecular and nuclear data activities of the Nuclear Data Centre, coordination of the Nuclear Data Centre Networks, nuclear data development projects, technology transfer, and computer support. This information is complemented by descriptions of other relevant activities in the reporting period, including meetings and publications. The atomic and molecular data programmes are presented to the INDC for information only, since those specific activities are reviewed in depth by the A+M Subcommittee of the International Fusion Research Council. (author)

Report of the IAEA Nuclear Data Section to the International Nuclear Data Committee for the period January 2000 - December 2001

International Nuclear Information System (INIS)

Nichols, A.L.

2002-05-01

This report contains descriptions of the major activities of the IAEA Nuclear Data Section in 2000 and 2001 for review by the International Nuclear Data Committee (INDC). Information is provided on the staff and budget, atomic, molecular and nuclear data activities of the Nuclear Data Center, coordination of the Nuclear Data Center Networks, nuclear data development projects, technology transfer, and computer support. This information is complemented by descriptions of other relevant activities in the reporting period, including meetings and publications. The atomic and molecular data programmes are presented to the INDC for information only, since those specific activities are reviewed in depth by the A+M Subcommittee of the International Fusion Research Council. (author)

Correlation between three color coordinates of human teeth

Science.gov (United States)

Lee, Yong-Keun

2014-11-01

The objective was to determine whether there were significant correlations in the three color coordinates within each of two color coordinate systems, such as the Commission Internationale de l'Eclairage (CIE) L*a*b* system, and the lightness, chroma, and hue angle system, of human vital teeth. The color of six maxillary and six mandibular anterior teeth was measured by the Shade Vision System. Pearson correlations between each pair of the color coordinates were determined (α=0.01). The influence of two color coordinates on the other color coordinate was determined with a multiple regression analysis (α=0.01). Based on correlation analyses, all the color coordinate pairs showed significant correlations except for the chroma and hue angle pair. The CIE L* was negatively correlated with the CIE a*, b*, and chroma, but positively correlated with the hue angle. The CIE a* was positively correlated with the CIE b* and chroma. Tooth color coordinates were correlated each other. Lighter teeth were less chromatic both in the CIE a* and b* coordinates. Therefore, it was postulated that the three color coordinates of human teeth were harmonized within certain color attribute ranges, and a lack of correlations in these coordinates might indicate external/internal discolorations and/or anomalies of teeth.

7. meeting of the Atomic and Molecular Data Centre Network, Oak Ridge National Laboratory, Oak Ridge, TN, 9-11 November 1987

International Nuclear Information System (INIS)

Smith, J.J.

1988-02-01

This is a brief summary report of the Seventh Atomic and Molecular Data Centre Network Meeting convened by the IAEA at the Oak Ridge National Laboratory, Oak Ridge, Tennessee, 9-11 November 1987. The goal of the Centre is to provide coordination of the international management of atomic and molecular data pertinent to controlled fusion research and technology. The meeting was attended by twelve representatives of centres from six member states. The meeting resulted in five conclusions: (i) the establishment of a single international atomic and molecular collision data base was stressed to be the short-term priority for the data centre network; (ii) the Specialists' Meeting on ''Atomic and Molecular Data for Plasma Edge Studies'' was reviewed, and the proposal for the formation of a coordinated research programme on the production and evaluation of atomic and molecular data for plasma edge studies as a means of generating the needed data for fusion research was endorsed; (iii) it was recommended that the recent report entitled ''Recommended Data on Atomic Collision Processes Involving Iron Ions'' be published as a special supplement to the Nuclear Fusion journal, 1987. This unit was asked to investigate the possibility to provide data covering recombination processes for iron ions which were not included in the recommended data base; (iv) the participants felt that a meeting covering the Atomic and Molecular and fusion data base was timely and important for maximizing the efficient usage of the Atomic and Molecular collision data base. The convening of a Specialists' Meeting on carbon and oxygen ion collision data was also discussed. Finally, (v) it was proposed that the Atomic and Molecular Data Unit should fully address all discrepancies within the recommended data base. Nine status and progress reports are summarized in the Appendices to the present summary report. Refs, 1 fig., tabs

Description of card input data and formats for the International Bulletin on Atomic and Molecular Data for Fusion

International Nuclear Information System (INIS)

Katsonis, K.; Smith, F.J.

1979-05-01

This document describes the input data and the corresponding format of the computer programme which is used by the Atomic and Molecular Unit of the IAEA for storing, compiling and retrieving numerical data and/or bibliographic information for publishing the International Bulletin on Atomic and Molecular Data for Fusion

Molecular dynamics study of the coordination sphere of trivalent lanthanum in a highly concentrated LiCl aqueous solution: A combined classical and ab initio approach

International Nuclear Information System (INIS)

Vuilleumier, R.; Petit, L.; Maldivi, P.; Adamo, C.

2008-01-01

The first coordination sphere of trivalent lanthanum in a highly concentrated (14 M) lithium chloride solution is studied with a combination of classical molecular dynamics and density functional theory based first principle molecular dynamics. This method enables us to obtain a solvation shell of La 3+ containing 2 chloride ions and 6 water molecules. After refinement using first principle molecular dynamics, the resulting cation-water and cation-anion distances are in very good agreement with experiment. The 2 Cl - and the 6 water molecules arrange in a square anti-prism around La 3+ . Exchange of water molecules was also observed in the first-principle simulation, with an intermediate structure comprising 7 water molecules stable for 2.5 ps. Finally, evaluation of dipole moments using maximally localized Wannier functions shows a substantial polarization of the chloride anions and the water molecules in the first solvation shell of trivalent lanthanum. (authors)

77 FR 27832 - Shipping Coordinating Committee; Notice of Committee Meeting

Science.gov (United States)

2012-05-11

... organizations --Relations with non-governmental organizations --World Maritime Day --International Maritime... DEPARTMENT OF STATE [Public Notice: 7879] Shipping Coordinating Committee; Notice of Committee...-second Session of the International Maritime Organization (IMO) Technical Co-operation Committee (TCC 62...

Traceability and uncertainty estimation in coordinate metrology

DEFF Research Database (Denmark)

Hansen, Hans Nørgaard; Savio, Enrico; De Chiffre, Leonardo

2001-01-01

National and international standards have defined performance verification procedures for coordinate measuring machines (CMMs) that typically involve their ability to measure calibrated lengths and to a certain extent form. It is recognised that, without further analysis or testing, these results...... are required. Depending on the requirements for uncertainty level, different approaches may be adopted to achieve traceability. Especially in the case of complex measurement situations and workpieces the procedures are not trivial. This paper discusses the establishment of traceability in coordinate metrology...

Updating the International Standards for Tuberculosis Care. Entering the era of molecular diagnostics.

Science.gov (United States)

Hopewell, Philip C; Fair, Elizabeth L; Uplekar, Mukund

2014-03-01

The International Standards for Tuberculosis Care, first published in 2006 (Lancet Infect Dis 2006;6:710-725.) with a second edition in 2009 ( www.currytbcenter.ucsf.edu/international/istc_report ), was produced by an international coalition of organizations funded by the United States Agency for International Development. Development of the document was led jointly by the World Health Organization and the American Thoracic Society, with the aim of promoting engagement of all care providers, especially those in the private sector in low- and middle-income countries, in delivering high-quality services for tuberculosis. In keeping with World Health Organization recommendations regarding rapid molecular testing, as well as other pertinent new recommendations, the third edition of the Standards has been developed. After decades of dormancy, the technology available for tuberculosis care and control is now rapidly evolving. In particular, rapid molecular testing, using devices with excellent performance characteristics for detecting Mycobacterium tuberculosis and rifampin resistance, and that are practical and affordable for use in decentralized facilities in low-resource settings, is being widely deployed globally. Used appropriately, both within tuberculosis control programs and in private laboratories, these devices have the potential to revolutionize tuberculosis care and control, providing a confirmed diagnosis and a determination of rifampin resistance within a few hours, enabling appropriate treatment to be initiated promptly. Major changes have been made in the standards for diagnosis. Additional important changes include: emphasis on the recognition of groups at increased risk of tuberculosis; updating the standard on antiretroviral treatment in persons with tuberculosis and human immunodeficiency virus infection; and revising the standard on treating multiple drug-resistant tuberculosis.

Total internal partition sums for molecular species in the 2000 edition of the HITRAN database

International Nuclear Information System (INIS)

Fischer, J.; Gamache, R.R.; Goldman, A.; Rothman, L.S.; Perrin, A.

2003-01-01

Total internal partition sums (TIPS) are calculated for all molecular species in the 2000 HITRAN database. In addition, the TIPS for 13 other isotopomers/isotopologues of ozone and carbon dioxide are presented. The calculations address the corrections suggested by Goldman et al. (JQSRT 66 (2000) 455). The calculations consider the temperature range 70-3000 K to be applicable to a variety of remote sensing needs. The method of calculation for each molecular species is stated and comparisons with data from the literature are discussed. A new method of recall for the partition sums, Lagrange 4-point interpolation, is developed. This method, unlike previous versions of the TIPS code, allows all molecular species to be considered

The use of symmetrized valence and relative motion coordinates for crystal potentials

DEFF Research Database (Denmark)

McMurry, H. L.; Hansen, Flemming Yssing

1980-01-01

Symmetrized valence coordinates are linear combinations of conventional valence coordinates which display the symmetry of a set of atoms bound by the valence bonds. Relative motion coordinates are relative translations, or relative rotations, of two or more strongly bonded groups of atoms among...... which relatively weak forces act. They are useful for expressing interactions between molecules in molecular crystals and should be chosen, also, to reflect the symmetry of the interacting groups. Since coordinates defined by these procedures possess elements of symmetry in common with the bonding...... interaction constants coupling coordinates of unlike symmetry with regard to the crystal point group are necessarily zero. They may be small, also, for coordinates which belong to different representations of the local symmetry when this is not the same as for the crystal. Procedures are given for defining...

IAEA advisory group meeting on atomic and molecular data for fusion, Culham Laboratory, UK, 1 - 5 November 1976

International Nuclear Information System (INIS)

Lorenz, A.

1977-02-01

The IAEA Nuclear Data Section convened an Advisory Group Meeting on Atomic and Molecular Data for Fusion at the UKAEA Laboratory at Culham, from 1-5 November 1976. Three detailed working group reports identifying requirements and availability of atomic collision data, atomic structure data, and surface interaction data in fusion research are presented. The meeting recommended the formation of an international network of data centres for the compilation and dissemination of atomic and molecular data required for fusion, and recommended that the IAEA Nuclear Data Section be given the responsibility to establish and coordinate this network

Selected materials of the international workshop on radiation risk and its origin at molecular and cellular level

International Nuclear Information System (INIS)

Pinak, Miroslav

2003-11-01

The workshop ''International Workshop on Radiation Risk and its Origin at Molecular and Cellular Level'' was held at The Tokai Research Establishment, Japan Atomic Energy Research Institute, on the 6th and 7th of February 2003. The Laboratory of Radiation Risk Analysis of JAERI organized it. This international workshop attracted scientists from several different scientific areas, including radiation physics, radiation biology, molecular biology, crystallography of biomolecules, modeling and bio-informatics. Several foreign and domestic keynote speakers addresses the very fundamental areas of radiation risk and tried to establish a link between the fundamental studies at the molecular and cellular level and radiation damages at the organism. The symposium consisted of 13 oral lectures, 10 poster presentations and panel discussion. The 108 participants attended the workshop. This publication comprises of proceedings of oral and poster presentations where available. For the rest of contributions the abstracts or/and selections of presentation materials are shown instead. The 5 papers are indexed individually. (J.P.N.)

Synthesis and Structural Characterization of a CHA-type AlPO4 Molecular Sieve with Penta-Coordinated Framework Aluminum Atoms.

Science.gov (United States)

Park, Gi Tae; Jo, Donghui; Ahn, Nak Ho; Cho, Jung; Hong, Suk Bong

2017-07-17

The structure-directing effects of a series of polymethylimidazolium cations with different numbers of methyl groups as organic structure-directing agents (OSDAs) in the synthesis of aluminophosphate (AlPO 4 )-based molecular sieves in both fluoride and hydroxide media are investigated. On the one hand, among the OSDAs studied here, the smallest 1,3-dimethylimidazolium and the largest 1,2,3,4,5-pentamethylimidazolium cations were found to direct the synthesis of a new variant of the triclinic chabazite (CHA)-type AlPO 4 material, designated AlPO 4 -34(t) V , and the one-dimensional small-pore silicoaluminophosphate (SAPO) molecular sieve STA-6 in hydroxide media, respectively. On the other hand, the intermediate-sized 1,2,3,4-tetramethylimidazolium cation gave SSZ-51, a two-dimensional large-pore SAPO material, in fluoride media. Synchrotron powder X-ray diffraction and Rietveld analyses reveal that as-made AlPO 4 -34(t) V contains penta-coordinated framework Al species connected by hydroxyl groups, as well as tetrahedral framework Al, which contrasts with the distortions arising from the two F - or OH - bridges between octahedral Al atoms in all already known AlPO 4 -34 materials. The presence of Al-OH-Al linkages in this triclinic AlPO 4 -34 molecular sieve has been further corroborated by thermal analysis, variable-temperature IR,27Al magic-angle spinning NMR, and dispersion-corrected density functional theory calculations.

Proposal for a coordination research programme (CRP) of the International Atomic Energy Agency (IAEA) on stable isotope tracer techniques for studies on protein-energy interactions

International Nuclear Information System (INIS)

Shetty, P.; James, W.P.T.

1993-01-01

This Report provides a rationale and justification for the initiation of a Coordinated Research programme to support studies using stable isotopic tracer techniques to address priority areas of human protein-energy interactions with special emphasis on the problems of human nutrition in developing countries. The Report suggests a modus for establishing such a practically oriented Coordinated Research Programme under the aegis of the International Atomic Energy Agency with concrete suggestions for its organization and the identification of probable participants in such a programme. The likely sources of additional funding to sustain such an activity viable for a period of 4 to 5 years are also indicated. 8 refs

Understanding the nitrate coordination to Eu3+ ions in solution by potential of mean force calculations

International Nuclear Information System (INIS)

Duvail, M.; Guilbaud, Ph.

2011-01-01

Coordination of nitrate anions with lanthanoid cations (Ln 3+ ) in water, methanol and octanol-1 has been studied by means of molecular dynamics simulations with explicit polarization. Potential of mean force (PMF) profiles have been calculated for a mono-complex of lanthanoid nitrate (Ln(NO 3 ) 2+ ) in these solvents using umbrella-sampling molecular dynamics. In pure water, no difference in the nitrato coordination to lanthanoids (Nd 3+ , Eu 3+ and Dy 3+ ) is observed, i.e. the nitrate anion prefers the monodentate coordination, which promotes the salt dissociation. Then, the influence of the nature of the solvating molecules on the nitrato coordination to Eu 3+ has been investigated. PMF profiles point out that both monodentate and bidentate coordinations are stable in neat methanol, while in neat octanol, only the bidentate one is. MD simulations of Eu(NO 3 ) 3 in water-octanol mixtures with different concentrations of water have been then performed and confirm the importance of the water molecules' presence on the nitrate ion's coordination mode. (authors)

Databases and coordinated research projects at the IAEA on atomic processes in plasmas

Energy Technology Data Exchange (ETDEWEB)

Braams, Bastiaan J.; Chung, Hyun-Kyung [Nuclear Data Section, NAPC Division, International Atomic Energy Agency P. O. Box 100, Vienna International Centre, AT-1400 Vienna (Austria)

2012-05-25

The Atomic and Molecular Data Unit at the IAEA works with a network of national data centres to encourage and coordinate production and dissemination of fundamental data for atomic, molecular and plasma-material interaction (A+M/PMI) processes that are relevant to the realization of fusion energy. The Unit maintains numerical and bibliographical databases and has started a Wiki-style knowledge base. The Unit also contributes to A+M database interface standards and provides a search engine that offers a common interface to multiple numerical A+M/PMI databases. Coordinated Research Projects (CRPs) bring together fusion energy researchers and atomic, molecular and surface physicists for joint work towards the development of new data and new methods. The databases and current CRPs on A+M/PMI processes are briefly described here.

Databases and coordinated research projects at the IAEA on atomic processes in plasmas

Science.gov (United States)

Braams, Bastiaan J.; Chung, Hyun-Kyung

2012-05-01

The Atomic and Molecular Data Unit at the IAEA works with a network of national data centres to encourage and coordinate production and dissemination of fundamental data for atomic, molecular and plasma-material interaction (A+M/PMI) processes that are relevant to the realization of fusion energy. The Unit maintains numerical and bibliographical databases and has started a Wiki-style knowledge base. The Unit also contributes to A+M database interface standards and provides a search engine that offers a common interface to multiple numerical A+M/PMI databases. Coordinated Research Projects (CRPs) bring together fusion energy researchers and atomic, molecular and surface physicists for joint work towards the development of new data and new methods. The databases and current CRPs on A+M/PMI processes are briefly described here.

Databases and coordinated research projects at the IAEA on atomic processes in plasmas

International Nuclear Information System (INIS)

Braams, Bastiaan J.; Chung, Hyun-Kyung

2012-01-01

The Atomic and Molecular Data Unit at the IAEA works with a network of national data centres to encourage and coordinate production and dissemination of fundamental data for atomic, molecular and plasma-material interaction (A+M/PMI) processes that are relevant to the realization of fusion energy. The Unit maintains numerical and bibliographical databases and has started a Wiki-style knowledge base. The Unit also contributes to A+M database interface standards and provides a search engine that offers a common interface to multiple numerical A+M/PMI databases. Coordinated Research Projects (CRPs) bring together fusion energy researchers and atomic, molecular and surface physicists for joint work towards the development of new data and new methods. The databases and current CRPs on A+M/PMI processes are briefly described here.

Molecular markers predicting radiotherapy response: Report and recommendations from an International Atomic Energy Agency technical meeting

International Nuclear Information System (INIS)

West, Catharine M.L.; McKay, Michael J.; Hoelscher, Tobias; Baumann, Michael; Stratford, Ian J.; Bristow, Robert G.; Iwakawa, Mayumi; Imai, Takashi; Zingde, Surekha M.; Anscher, Mitchell S.; Bourhis, Jean; Begg, Adrian C.; Haustermans, Karin; Bentzen, Soren M.; Hendry, Jolyon H.

2005-01-01

Purpose: There is increasing interest in radiogenomics and the characterization of molecular profiles that predict normal tissue and tumor radioresponse. A meeting in Amsterdam was organized by the International Atomic Energy Agency to discuss this topic on an international basis. Methods and Materials: This report is not completely exhaustive, but highlights some of the ongoing studies and new initiatives being carried out worldwide in the banking of tumor and normal tissue samples underpinning the development of molecular marker profiles for predicting patient response to radiotherapy. It is generally considered that these profiles will more accurately define individual or group radiosensitivities compared with the nondefinitive findings from the previous era of cellular-based techniques. However, so far there are only a few robust reports of molecular markers predicting normal tissue or tumor response. Results: Many centers in different countries have initiated tissue and tumor banks to store samples from clinical trials for future molecular profiling analysis, to identify profiles that predict for radiotherapy response. The European Society for Therapeutic Radiology and Oncology GENEtic pathways for the Prediction of the effects of Irradiation (GENEPI) project, to store, document, and analyze sample characteristics vs. response, is the most comprehensive in this regard. Conclusions: The next 5-10 years are likely to see the results of these and other correlative studies, and promising associations of profiles with response should be validated in larger definitive trials

Deriving force field parameters for coordination complexes

DEFF Research Database (Denmark)

Norrby, Per-Ola; Brandt, Peter

2001-01-01

The process of deriving molecular mechanics force fields for coordination complexes is outlined. Force field basics are introduced with an emphasis on special requirements for metal complexes. The review is then focused on how to set up the initial model, define the target, refine the parameters......, and validate the final force field, Alternatives to force field derivation are discussed briefly....

Cooling of molecular ion beams

International Nuclear Information System (INIS)

Wolf, A.; Krohn, S.; Kreckel, H.; Lammich, L.; Lange, M.; Strasser, D.; Grieser, M.; Schwalm, D.; Zajfman, D.

2004-01-01

An overview of the use of stored ion beams and phase space cooling (electron cooling) is given for the field of molecular physics. Emphasis is given to interactions between molecular ions and electrons studied in the electron cooler: dissociative recombination and, for internally excited molecular ions, electron-induced ro-vibrational cooling. Diagnostic methods for the transverse ion beam properties and for the internal excitation of the molecular ions are discussed, and results for phase space cooling and internal (vibrational) cooling are presented for hydrogen molecular ions

Unusual Coordination Behavior of Cr3+ in Microporous Aluminophosphates

NARCIS (Netherlands)

Beale, AM; Grandjean, D; Kornatowski, J; Glatzel, P; de Groot, FMF; Weckhuysen, BM

2006-01-01

A CrAPO-5 molecular sieve has been investigated with X-ray absorption spectroscopy (EXAFS-XANES) as dehydrated material and after loading with water and ammonia to unravel the coordination geometries of Cr3+ in the framework of a microporous crystalline aluminophosphate, more particularly of the

Theoretical study of substitution effects on molecular reorganization energy in organic semiconductors.

Science.gov (United States)

Geng, Hua; Niu, Yingli; Peng, Qian; Shuai, Zhigang; Coropceanu, Veaceslav; Brédas, Jean-Luc

2011-09-14

Chemical substitutions are powerful molecular design tools to enhance the performance of organic semiconductors, for instance, to improve solubility, intermolecular stacking, or film quality. However, at the microscopic level, substitutions in general tend to increase the molecular reorganization energy and thus decrease the intrinsic charge-carrier mobility. Through density functional theory calculations, we elucidate strategies that could be followed to reduce the reorganization energy upon chemical substitution. Specific examples are given here for hole-transport materials including indolo-carbazoles and several triarylamine derivatives. Through decomposition of the total reorganization energy into the internal coordinate space, we are able to identify the molecular segment that provides the most important contributions to the reorganization energy. It is found that when substitution reduces (enhances) the amplitude of the relevant frontier molecular orbital in that segment, the total reorganization energy decreases (increases). In particular, chlorination at appropriate positions can significantly reduce the reorganization energy. Several other substituents are shown to play a similar role, to a greater or lesser extent. © 2011 American Institute of Physics

Quality control in mutation analysis: the European Molecular Genetics Quality Network (EMQN).

Science.gov (United States)

Müller, C R

2001-08-01

The demand for clinical molecular genetics testing has steadily grown since its introduction in the 1980s. In order to reach and maintain the agreed quality standards of laboratory medicine, the same internal and external quality assurance (IQA/EQA) criteria have to be applied as for "conventional" clinical chemistry or pathology. In 1996 the European Molecular Genetics Quality Network (EMQN) was established in order to spread QA standards across Europe and to harmonise the existing national activities. EMQN is operated by a central co-ordinator and 17 national partners from 15 EU countries; since 1998 it is being funded by the EU commission for a 3-year period. EMQN promotes QA by two tools: by providing disease-specific best practice meetings (BPM) and EQA schemes. A typical BPM is focussed on one disease or group of related disorders. International experts report on the latest news of gene characterisation and function and the state-of-the-art techniques for mutation detection. Disease-specific EQA schemes are provided by experts in the field. DNA samples are sent out together with mock clinical referrals and a diagnostic question is asked. Written reports must be returned which are marked for genotyping and interpretation. So far, three BPMs have been held and six EQA schemes are in operation at various stages. Although mutation types and diagnostic techniques varied considerably between schemes, the overall technical performance showed a high diagnostic standard. Nevertheless, serious genotyping errors have been occurred in some schemes which underline the necessity of quality assurance efforts. The European Molecular Genetics Quality Network provides a necessary platform for the internal and external quality assurance of molecular genetic testing.

Committee on Interagency Radiation Research and Policy Coordination (CIRRPC). Seventh annual report

International Nuclear Information System (INIS)

Young, A.L.

1991-01-01

In 1990--91 CIRRPC's program included efforts to improve interagency coordination on ionizing radiation risk assessments, a review of the reported health risks to humans from exposure to extremely low- frequency electric and magnetic fields (ELF/EMF), and increased coordination with national and international organizations such as NCRP and ICRP

Coordination of International Risk-Reduction Investigations by the Multilateral Human Research Panel for Exploration

Science.gov (United States)

Charles, John B.; Bogomolov, Valery V.

2015-01-01

Effective use of the unique capabilities of the International Space Station (ISS) for risk reduction on future deep space missions involves preliminary work in analog environments to identify and evaluate the most promising techniques, interventions and treatments. This entails a consolidated multinational approach to biomedical research both on ISS and in ground analogs. The Multilateral Human Research Panel for Exploration (MHRPE) was chartered by the five ISS partners to recommend the best combination of partner investigations on ISS for risk reduction in the relatively short time available for ISS utilization. MHRPE will also make recommendations to funding agencies for appropriate preparatory analog work. In 2011, NASA's Human Research Program (HRP) and the Institute of Biomedical Problems (IBMP) of the Russian Academy of Science, acting for MHRPE, developed a joint US-Russian biomedical program for the 2015 one-year ISS mission (1YM) of American and Russian crewmembers. This was to evaluate the possibilities for multilateral research on ISS. An overlapping list of 16 HRP, 9 IBMP, 3 Japanese, 3 European and 1 Canadian investigations were selected to address risk-reduction goals in 7 categories: Functional Performance, Behavioral Health, Visual Impairment, Metabolism, Physical Capacity, Microbial and Human Factors. MHRPE intends to build on this bilateral foundation to recommend more fully-integrated multilateral investigations on future ISS missions commencing after the 1YM. MHRPE has also endorsed an on-going program of coordinated research on 6-month, one-year and 6-week missions ISS expeditions that is now under consideration by ISS managers. Preparatory work for these missions will require coordinated and collaborative campaigns especially in the psychological and psychosocial areas using analog isolation facilities in Houston, Köln and Moscow, and possibly elsewhere. The multilateral Human Analogs research working group (HANA) is the focal point of those

International Conference on Intelligent Systems for Molecular Biology (ISMB)

Energy Technology Data Exchange (ETDEWEB)

Goldberg, Debra; Hibbs, Matthew; Kall, Lukas; Komandurglayavilli, Ravikumar; Mahony, Shaun; Marinescu, Voichita; Mayrose, Itay; Minin, Vladimir; Neeman, Yossef; Nimrod, Guy; Novotny, Marian; Opiyo, Stephen; Portugaly, Elon; Sadka, Tali; Sakabe, Noboru; Sarkar, Indra; Schaub, Marc; Shafer, Paul; Shmygelska, Olena; Singer, Gregory; Song, Yun; Soumyaroop, Bhattacharya; Stadler, Michael; Strope, Pooja; Su, Rong; Tabach, Yuval; Tae, Hongseok; Taylor, Todd; Terribilini, Michael; Thomas, Asha; Tran, Nam; Tseng, Tsai-Tien; Vashist, Akshay; Vijaya, Parthiban; Wang, Kai; Wang, Ting; Wei, Lai; Woo, Yong; Wu, Chunlei; Yamanishi, Yoshihiro; Yan, Changhui; Yang, Jack; Yang, Mary; Ye, Ping; Zhang, Miao

2009-12-29

The Intelligent Systems for Molecular Biology (ISMB) conference has provided a general forum for disseminating the latest developments in bioinformatics on an annual basis for the past 13 years. ISMB is a multidisciplinary conference that brings together scientists from computer science, molecular biology, mathematics and statistics. The goal of the ISMB meeting is to bring together biologists and computational scientists in a focus on actual biological problems, i.e., not simply theoretical calculations. The combined focus on "intelligent systems" and actual biological data makes ISMB a unique and highly important meeting, and 13 years of experience in holding the conference has resulted in a consistently well organized, well attended, and highly respected annual conference. The ISMB 2005 meeting was held June 25-29, 2005 at the Renaissance Center in Detroit, Michigan. The meeting attracted over 1,730 attendees. The science presented was exceptional, and in the course of the five-day meeting, 56 scientific papers, 710 posters, 47 Oral Abstracts, 76 Software demonstrations, and 14 tutorials were presented. The attendees represented a broad spectrum of backgrounds with 7% from commercial companies, over 28% qualifying for student registration, and 41 countries were represented at the conference, emphasizing its important international aspect. The ISMB conference is especially important because the cultures of computer science and biology are so disparate. ISMB, as a full-scale technical conference with refereed proceedings that have been indexed by both MEDLINE and Current Contents since 1996, bridges this cultural gap.

International cooperation

International Nuclear Information System (INIS)

2008-01-01

In this chapter international cooperation of the Division for Radiation Safety, NPP Decommissioning and Radwaste Management of the VUJE, a. s. is presented. Very important is cooperation with the International Atomic Energy Agency. This cooperation has various forms - national and regional projects of technical cooperation, coordinated research activities, participation of our experts in preparation of the IAEA documentation etc.

Toward an International Lunar Polar Volatiles Strategy

Science.gov (United States)

Gruener, J. E.; Suzuki, N. H.; Carpenter, J. D.

2015-01-01

Fourteen international space agencies are participating in the International Space Exploration Coordination Group (ISECG), working together to advance a long-range human space exploration strategy. The ISECG is a voluntary, non-binding international coordination mechanism through which individual agencies may exchange information regarding interests, objectives, and plans in space exploration with the goal of strengthening both individual exploration programs as well as the collective effort. The ISECG has developed a Global Exploration Roadmap (GER) that reflects the coordinated international dialog and continued preparation for exploration beyond low-Earth orbit - beginning with the Moon and cis-lunar space, and continuing to near-Earth asteroids, and Mars. Space agencies agree that human space exploration will be most successful as an international endeavor, given the challenges of these missions. The roadmap demonstrates how initial capabilities can enable a variety of missions in the lunar vicinity, responding to individual and common goals and objectives, while contributing to building partnerships required for sustainable human space exploration that delivers value to the public.

Capital Income Tax Coordination and the Income Tax Mix

DEFF Research Database (Denmark)

Huizinga, Harry; Nielsen, Søren Bo

2005-01-01

in the mix of capital and labor taxes brought on by capital income tax coordination can potentially be welfare reducing. This reflects that in a non-cooperative equilibrium capital income taxes may be more distorting from an international perspective than are labor income taxes. Simulations with a simple...... model calibrated to EU public finance data suggest that countries indeed lower their labor taxes in response to higher coordinated capital income taxes. The overall welfare effects of capital income tax coordination, however, are estimated to remain positive.JEL Classification: F20, H87......Europe has seen several proposals for tax coordination only in the area of capital income taxation, leaving countries free to adjust their labor taxes. The expectation is that highercapital income tax revenues would cause countries to reduce their labor taxes. This paper shows that such changes...

A report on the IAEA co-ordinated research programme on the Application of Isotopic Correlation Techniques to international safeguards 1975-1982

International Nuclear Information System (INIS)

Sanatani, S.

1983-01-01

A co-ordinated research programme on the Application of Isotopic Correlation Techniques (ICT) to International Safeguards has just ended in the Agency. During the continuation of the programme, scientists from Belgium, Japan, France, United Kingdom, United States and Euratom, engaged in the development of ICT, met periodically to discuss the results obtained by them from both theoretical and experimental investigations. The paper describes the main features of the alternative approaches developed at participating laboratories as well as procedures developed at the IAEA. At the conclusion of the programme, there was an unanimous recommendation from the participants that ICT is a useful tool for verification of input analysis at a chemical reprocessing plant. After the closure of the co-ordinated research programme, the IAEA is now applying data evaluation procedures developed at the Agency and keeping in contact with the progress of work on ICT carried on in laboratories such as JAERI (Japan), CEA (France) and Euratom, through support programmes and through participation in the ESARDA working group dealing with ICT

IAEA activities on atomic, molecular and plasma-material interaction data for fusion

Science.gov (United States)

Braams, Bastiaan J.; Chung, Hyun-Kyung

2013-09-01

The IAEA Atomic and Molecular Data Unit (http://www-amdis.iaea.org/) aims to provide internationally evaluated and recommended data for atomic, molecular and plasma-material interaction (A+M+PMI) processes in fusion research. The Unit organizes technical meetings and coordinates an A+M Data Centre Network (DCN) and a Code Centre Network (CCN). In addition the Unit organizes Coordinated Research Projects (CRPs), for which the objectives are mixed between development of new data and evaluation and recommendation of existing data. In the area of A+M data we are placing new emphasis in our meeting schedule on data evaluation and especially on uncertainties in calculated cross section data and the propagation of uncertainties through structure data and fundamental cross sections to effective rate coefficients. Following a recent meeting of the CCN it is intended to use electron scattering on Be, Ne and N2 as exemplars for study of uncertainties and uncertainty propagation in calculated data; this will be discussed further at the presentation. Please see http://www-amdis.iaea.org/CRP/ for more on our active and planned CRPs, which are concerned with atomic processes in core and edge plasma and with plasma interaction with beryllium-based surfaces and with irradiated tungsten.

Towards an international authoritative system for coordination and management of a unique recommended k0-NAA database

International Nuclear Information System (INIS)

De Corte, F.

2010-01-01

This paper describes the evolution of the database in k 0 -standardized neutron activation analysis (k 0 -NAA), ranging from its full supervision by the founders of the k 0 -method at the Institute for Nuclear Sciences (INW)/Gent and the Central Research Institute for Physics (KFKI)/Budapest (from about the mid 1970s up to the early 1990s), to the present situation (roughly speaking starting with the first k 0 Users Workshop in 1992) where an increasing number of researchers from institutes allover the world are reporting on their experimental work aiming at the improvement and extension of the existing database. Although these individual contributions are undoubtedly commendable, the resulting fragmentary data sets leave behind important questions with respect to interpretation, evaluation, integration and recommendation, as illustrated with the (extreme) example of 131 Ba. This situation urgently calls for establishing and managing an international authoritative system for the coordination and quality control of a unique database with recommended data for k 0 -NAA, considering such parameters as accuracy, traceability and consistency. In the present paper, it is proposed to entrust this task to a standing 'Reference k 0 -Data Subcommittee' of the k 0 -ISC (k 0 International Scientific Committee).

14th international symposium on molecular beams

Energy Technology Data Exchange (ETDEWEB)

1992-09-01

This report discusses research being conducted with molecular beams. The general topic areas are as follows: Clusters I; reaction dynamics; atomic and molecular spectroscopy; clusters II; new techniques; photodissociation & dynamics; and surfaces.

14th international symposium on molecular beams

Energy Technology Data Exchange (ETDEWEB)

1992-01-01

This report discusses research being conducted with molecular beams. The general topic areas are as follows: Clusters I; reaction dynamics; atomic and molecular spectroscopy; clusters II; new techniques; photodissociation dynamics; and surfaces.

14th international symposium on molecular beams

International Nuclear Information System (INIS)

1992-01-01

This report discusses research being conducted with molecular beams. The general topic areas are as follows: Clusters I; reaction dynamics; atomic and molecular spectroscopy; clusters II; new techniques; photodissociation ampersand dynamics; and surfaces

17 April 2008 - Head of Internal Audit Network meeting visiting the ATLAS experimental area with CERN ATLAS Team Leader P. Fassnacht, ATLAS Technical Coordinator M. Nessi and ATLAS Resources Manager M. Nordberg.

CERN Multimedia

Mona Schweizer

2008-01-01

17 April 2008 - Head of Internal Audit Network meeting visiting the ATLAS experimental area with CERN ATLAS Team Leader P. Fassnacht, ATLAS Technical Coordinator M. Nessi and ATLAS Resources Manager M. Nordberg.

Seismic safety programme at NPP Paks. Propositions for coordinated international activity in seismic safety of the WWER-440 V-213

International Nuclear Information System (INIS)

Katona, T.

1995-01-01

This paper presents the Paks NPP seismic safety program, highlighting the specifics of the WWER-440/213 type in operation, and the results of work obtained so far. It covers the following scope: establishment of the seismic safety program (original seismic design, current requirements, principles and structure of the seismic safety program); implementation of the seismic safety program (assessing the seismic hazard of the site, development of the new concept of seismic safety for the NPP, assessing the seismic resistance of the building and the technology); realization of the seismic safety of higher level (technical solutions, drawings, realization); ideas and propositions for coordinated international activity

Adaptive leg coordination with a biologically inspired neurocontroller

Science.gov (United States)

Braught, Grant; Thomopoulos, Stelios C.

1996-10-01

Natural selection is responsible for the creation of robust and adaptive control systems. Nature's control systems are created only from primitive building blocks. Using insect neurophysiology as a guide, a neural architecture for leg coordination in a hexapod robot has been developed. Reflex chains and sensory feedback mechanisms from various insects and crustacea form the basis of a pattern generator for intra-leg coordination. The pattern generator contains neural oscillators which learn from sensory feedback to produce stepping patterns. Using sensory feedback as the source of learning information allows the pattern generator to adapt to changes in the leg dynamics due to internal or external causes. A coupling between six of the single leg pattern generators is used to produce the inter-leg coordination necessary to establish stable gaits.

Thermosensitive gating effect and selective gas adsorption in a porous coordination nanocage

NARCIS (Netherlands)

Zhao, D.; Yuan, D.; Krishna, R.; van Baten, J.M.; Zhou, H.C.

2010-01-01

A porous coordination nanocage functionalized with 24 triisopropylsilyl groups exhibits a remarkable thermosensitive gate opening phenomenon and demonstrates a molecular sieving effect at a certain temperature range, which can be used for gas separation purposes.

Motor Coordination and Body Mass Index in Primary School Children

OpenAIRE

Ingrid Ruzbarska; Martin Zvonar; Piotr Oleśniewicz; Julita Markiewicz-Patkowska; Krzysztof Widawski; Daniel Puciato

2016-01-01

Obese children will probably become obese adults, consequently exposed to an increased risk of comorbidity and premature mortality. Body weight may be indirectly determined by continuous development of coordination and motor skills. The level of motor skills and abilities is an important factor that promotes physical activity since early childhood. The aim of the study is to thoroughly understand the internal relations between motor coordination abilities and the somatic development of prepub...

The International Human Epigenome Consortium

DEFF Research Database (Denmark)

Stunnenberg, Hendrik G; Hirst, Martin

2016-01-01

The International Human Epigenome Consortium (IHEC) coordinates the generation of a catalog of high-resolution reference epigenomes of major primary human cell types. The studies now presented (see the Cell Press IHEC web portal at http://www.cell.com/consortium/IHEC) highlight the coordinated ac...

Homo- and heterodinuclear coordination polymers based on a tritopic cyclam bis-terpyridine unit: Structure and rheological properties

Energy Technology Data Exchange (ETDEWEB)

Qu, Li; Fan, Jiangxia; Ren, Yong; Xiong, Kun [State Key Laboratory Cultivation Base for Nonmetal Composites and Functional Materials, School of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang 621010 (China); Yan, Minhao, E-mail: yanminhao@swust.edu.cn [State Key Laboratory Cultivation Base for Nonmetal Composites and Functional Materials, School of Materials Science and Engineering, Southwest University of Science and Technology, Mianyang 621010 (China); Tuo, Xianguo, E-mail: tuoxg@swust.edu.cn [Laboratory of National Defense for Radioactive Waste and Environmental Security, Southwest University of Science and Technology, Mianyang 621010 (China); Terech, Pierre [SPrAM, UMR CEA/CNRS/UJF-Grenoble 1, INAC, Grenoble F-38054 (France); Royal, Guy [Université Joseph Fourier Grenoble I, Département de Chimie Moléculaire, UMR CNRS-5250, Institut de Chimie Moléculaire de Grenoble, FR CNRS-2607, BP 53, 38041 Grenoble Cedex 9 (France)

2015-03-01

An innovative coordination polymer based on a tritopic ligand having the bis-terpyridine cyclam (CHTT) unit is explored. Homo- or heteronuclear 1D coordination polymers can be formed with bivalent metal ions such as Co(II) and Ni(II) in solvent DMF. Creep-recovery curves of the (Co{sup II}){sub 2}CHTT gels formed from 1D coordination polymers were analyzed with the Burgers model and demonstrated an original self-healing property, unusual in the class of molecular gels. The influence of the metal type was studied through the structural features using small-angle neutron scattering (SANS) experiments. In gels, the corresponding network involves genuine fibers (R ≈ 35 Å), bundles of these fibers and also a fraction of finite size aggregates (rods with aspect ratio f ≈ 3–5). We found that the distribution of these latter structural components is sensitive to the metal ions type. Such tritopic 1D coordination polymers exhibit a range of original structural features and a facile control of the developed structures in solutions and gels by tuning their thermodynamic parameters. The versatility associated to the intrinsic dynamic ability of the systems should pave the way to original properties for molecular devices. - Graphical abstract: A tritopic ligand with a bis-terpyridine cyclam (CHTT) unit can form homo- and heterobinuclear coordination polymers with bivalent metal ions in DMF. Gels exhibit a remarkable self-healing property while structures of solutions and gels are studied by small-angle neutron scattering. - Highlights: • Homo- and heteronuclear coordination polymers based on innovative tritopic ligand. • The gels formed from the coordination polymers demonstrated self-healing property. • Influence of the metal type was studied through the structural properties by SANS. • Versatility of the singular system present original properties for molecular device.

Prediction of ligand effects in platinum-amyloid-β coordination.

Science.gov (United States)

Turner, Matthew; Deeth, Robert J; Platts, James A

2017-08-01

Ligand field molecular mechanics (LFMM) and semi-empirical Parametric Model 7 (PM7) methods are applied to a series of six Pt II -Ligand systems binding to the N-terminal domain of the amyloid-β (Aβ) peptide. Molecular dynamics using a combined LFMM/Assisted Model Building with Energy Refinement (AMBER) approach is used to explore the conformational freedom of the peptide fragment, and identifies favourable platinum binding modes and peptide conformations for each ligand investigated. Platinum coordination is found to depend on the nature of the ligand, providing evidence that binding mode may be controlled by suitable ligand design. Boltzmann populations at 310K indicate that each Pt-Aβ complex has a small number of thermodynamically accessible states. Ramachandran maps are constructed for the sampled Pt-Aβ conformations and secondary structural analysis of the obtained complex structures is performed and contrasted with the free peptide; coordination of these platinum complexes disrupts existing secondary structure in the Aβ peptide and promotes formation of ligand-specific turn-type secondary structure. Copyright © 2017 Elsevier Inc. All rights reserved.

Energetic lanthanide complexes: coordination chemistry and explosives applications

International Nuclear Information System (INIS)

Manner, V W; Barker, B J; Sanders, V E; Laintz, K E; Scott, B L; Preston, D N; Sandstrom, M; Reardon, B L

2014-01-01

Metals are generally added to organic molecular explosives in a heterogeneous composite to improve overall heat and energy release. In order to avoid creating a mixture that can vary in homogeneity, energetic organic molecules can be directly bonded to high molecular weight metals, forming a single metal complex with Angstrom-scale separation between the metal and the explosive. To probe the relationship between the structural properties of metal complexes and explosive performance, a new series of energetic lanthanide complexes has been prepared using energetic ligands such as NTO (5-nitro-2,4-dihydro-1,2,4-triazole-3-one). These are the first examples of lanthanide NTO complexes where no water is coordinated to the metal, demonstrating novel control of the coordination environment. The complexes have been characterized by X-ray crystallography, NMR and IR spectroscopies, photoluminescence, and sensitivity testing. The structural and energetic properties are discussed in the context of enhanced blast effects and detection. Cheetah calculations have been performed to fine-tune physical properties, creating a systematic method for producing explosives with 'tailor made' characteristics. These new complexes will be benchmarks for further study in the field of metalized high explosives.

Managing Nuclear Knowledge: IAEA Activities and International Coordination. Asian Network for Education in Nuclear Technology (ANENT)

International Nuclear Information System (INIS)

2007-07-01

The important role which the International Atomic Energy Agency (IAEA) plays in assisting Member States in the preservation and enhancement of nuclear knowledge and in facilitating international collaboration in this area has been recognized by the General Conference of the International Atomic Energy Agency in resolutions GC(46)/RES/11B, GC(47)/RES/10B, GC(48)/RES/13 and GC(50)/RES/13. The IAEA continues to support the enhancement and stabilization of nuclear education and training with the objective of securing the availability of qualified human resources for the nuclear sector. Its most important approaches are networking regional educational institutions and fostering cooperation to develop harmonized curricula, prepare and disseminate teaching materials. The Asian Network for Education in Nuclear Technology (ANENT), established by the IAEA in 2004, became operational in 2005. An ANENT website has been set up and is being expanded, such as developing a long-distance learning platform. Also, a reference curriculum for nuclear engineering is being developed with the cooperation of external partners.This booklet summarizes the main activities being carried out by the IAEA with regard to the Asian Network for Education in Nuclear Technology (ANENT) and other related activities including those completed during the period 2002–2005. It briefly describes the background information on the events leading to the formation of the ANENT; the terms of reference formulated at the second Coordination Committee meeting held in Vietnam, October 2005; and objectives, strategy and other institutional and managerial policies reaffirmed by the members. CD-ROM attached to the printed booklet containing nearly all of the background material in full text, including policy level papers, reports, presentations made by Member States, and meeting summaries

78 FR 77772 - Shipping Coordinating Committee; Notice of Committee Meeting

Science.gov (United States)

2013-12-24

... emissions of Black Carbon from international shipping --Review of relevant non-mandatory instruments as a... should contact the meeting coordinator, Mr. Timothy Brown, by email at timothy.m.brown@uscg.mil , by...

Global Ocean Carbon and Biogeochemistry Coordination

Science.gov (United States)

Telszewski, Maciej; Tanhua, Toste; Palacz, Artur

2016-04-01

The complexity of the marine carbon cycle and its numerous connections to carbon's atmospheric and terrestrial pathways means that a wide range of approaches have to be used in order to establish it's qualitative and quantitative role in the global climate system. Ocean carbon and biogeochemistry research, observations, and modelling are conducted at national, regional, and global levels to quantify the global ocean uptake of atmospheric CO2 and to understand controls of this process, the variability of uptake and vulnerability of carbon fluxes into the ocean. These science activities require support by a sustained, international effort that provides a central communication forum and coordination services to facilitate the compatibility and comparability of results from individual efforts and development of the ocean carbon data products that can be integrated with the terrestrial, atmospheric and human dimensions components of the global carbon cycle. The International Ocean Carbon Coordination Project (IOCCP) was created in 2005 by the IOC of UNESCO and the Scientific Committee on Oceanic Research. IOCCP provides an international, program-independent forum for global coordination of ocean carbon and biogeochemistry observations and integration with global carbon cycle science programs. The IOCCP coordinates an ever-increasing set of observations-related activities in the following domains: underway observations of biogeochemical water properties, ocean interior observations, ship-based time-series observations, large-scale ocean acidification monitoring, inorganic nutrients observations, biogeochemical instruments and autonomous sensors and data and information creation. Our contribution is through the facilitation of the development of globally acceptable strategies, methodologies, practices and standards homogenizing efforts of the research community and scientific advisory groups as well as integrating the ocean biogeochemistry observations with the

Collective coordinates and an accompanying metric force in structural isomerization dynamics of molecules

International Nuclear Information System (INIS)

Yanao, Tomohiro; Takatsuka, Kazuo

2003-01-01

Structural isomerization dynamics of three- and four-atom clusters of vanishing total angular momentum is studied in terms of internal coordinates of n-body systems on the basis of a gauge theory. The so-called principal-axis hyperspherical coordinates are employed effectively as collective variables for the study of isomerization reactions. It turns out that the non-Euclidean metric on the internal space gives rise to a force, which works in response to internal motions called the democratic (kinematic) rotations in the internal space. This metric force generally tends to induce an asymmetry in mass balance of a system, and is coupled with the usual potential force to give rise to trapped motions in the vicinity of the transition states of the cluster. This observation provides a different perspective for the so-called recrossing problem in chemical reaction dynamics

Molecular clusters of 3D and lower magnetic dimensionality

International Nuclear Information System (INIS)

Papaefthymiou, G.C

1991-01-01

Controlled polymerization of iron leads to the synthesis of molecular clusters of ever-increasing size, tending to extended structures. Polymerization of oxo-bridged octahedrally coordinated iron leads to clusters with 3D magnetic interactions between iron ions, while sulfide- and selenide-bridged tetrahedrally coordinated iron ions produce clusters of lower magnetic dimensionality. In this paper the magnetic properties of the resulting large molecular clusters with N ≥ 17 (where N = the number of iron ions in the cluster) are investigated for the presence of collective magnetic correlations associated with the solid state

Optimal Coordinated Strategy Analysis for the Procurement Logistics of a Steel Group

Directory of Open Access Journals (Sweden)

Lianbo Deng

2014-01-01

Full Text Available This paper focuses on the optimization of an internal coordinated procurement logistics system in a steel group and the decision on the coordinated procurement strategy by minimizing the logistics costs. Considering the coordinated procurement strategy and the procurement logistics costs, the aim of the optimization model was to maximize the degree of quality satisfaction and to minimize the procurement logistics costs. The model was transformed into a single-objective model and solved using a simulated annealing algorithm. In the algorithm, the supplier of each subsidiary was selected according to the evaluation result for independent procurement. Finally, the effect of different parameters on the coordinated procurement strategy was analysed. The results showed that the coordinated strategy can clearly save procurement costs; that the strategy appears to be more cooperative when the quality requirement is not stricter; and that the coordinated costs have a strong effect on the coordinated procurement strategy.

Quantifying coordination among the rearfoot, midfoot, and forefoot segments during running.

Science.gov (United States)

Takabayashi, Tomoya; Edama, Mutsuaki; Yokoyama, Erika; Kanaya, Chiaki; Kubo, Masayoshi

2018-03-01

Because previous studies have suggested that there is a relationship between injury risk and inter-segment coordination, quantifying coordination between the segments is essential. Even though the midfoot and forefoot segments play important roles in dynamic tasks, previous studies have mostly focused on coordination between the shank and rearfoot segments. This study aimed to quantify coordination among rearfoot, midfoot, and forefoot segments during running. Eleven healthy young men ran on a treadmill. The coupling angle, representing inter-segment coordination, was calculated using a modified vector coding technique. The coupling angle was categorised into four coordination patterns. During the absorption phase, rearfoot-midfoot coordination in the frontal planes was mostly in-phase (rearfoot and midfoot eversion with similar amplitudes). The present study found that the eversion of the midfoot with respect to the rearfoot was comparable in magnitude to the eversion of the rearfoot with respect to the shank. A previous study has suggested that disruption of the coordination between the internal rotation of the shank and eversion of the rearfoot leads to running injuries such as anterior knee pain. Thus, these data might be used in the future to compare to individuals with foot deformities or running injuries.

Redox-active porous coordination polymer based on trinuclear pivalate: Temperature-dependent crystal rearrangement and redox-behavior

Energy Technology Data Exchange (ETDEWEB)

Lytvynenko, Anton S. [L.V. Pisarzhevskii Institute of Physical Chemistry, National Academy of Sciences of Ukraine, Prospekt Nauki 31, Kiev 03028 (Ukraine); Kiskin, Mikhail A., E-mail: mkiskin@igic.ras.ru [N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninsky Prospect 31, GSP-1, 119991 Moscow (Russian Federation); Dorofeeva, Victoria N.; Mishura, Andrey M.; Titov, Vladimir E.; Kolotilov, Sergey V. [L.V. Pisarzhevskii Institute of Physical Chemistry, National Academy of Sciences of Ukraine, Prospekt Nauki 31, Kiev 03028 (Ukraine); Eremenko, Igor L.; Novotortsev, Vladimir M. [N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninsky Prospect 31, GSP-1, 119991 Moscow (Russian Federation)

2015-03-15

Linking of trinuclear pivalate Fe{sub 2}NiO(Piv){sub 6} (Piv=O{sub 2}CC(CH{sub 3}){sub 3}) by 2,6-bis(4-pyridyl)-4-(1-naphthyl)pyridine (L) resulted in formation of 1D-porous coordination polymer Fe{sub 2}NiO(Piv){sub 6}(L)·Solv, which was characterized in two forms: DMSO solvate Fe{sub 2}NiO(Piv){sub 6}(L)(DMSO)·2.5DMSO (1) or water solvate Fe{sub 2}NiO(Piv){sub 6}(L)(H{sub 2}O) (2). X-ray structure of 1 was determined. Crystal lattice of 1 at 160 K contained open channels, filled by captured solvent, while temperature growth to 296 K led to the crystal lattice rearrangement and formation of closed voids. Redox-behavior of 2 was studied by cyclic voltammetry for a solid compound, deposited on glassy-carbon electrode. Redox-activity of L preserved upon incorporation in the coordination polymer. The presence of pores in desolvated sample Fe{sub 2}NiO(Piv){sub 6}(L) was confirmed by the measurements of N{sub 2} and H{sub 2} adsorption at 77 K. Potential barriers of the different molecules diffusion through pores were estimated by the means of molecular mechanics. - Graphical abstract: Redox-behavior of 1D-porous coordination polymer Fe{sub 2}NiO(Piv){sub 6}(L)(H{sub 2}O) was studied by cyclic voltammetry in thin film, deposited on glassy-carbon electrode. Redox-activity of L preserved upon incorporation in the coordination polymer. Potential barriers of different molecules diffusion through pores were estimated by the means of molecular mechanics. - Highlights: • Porous 1D coordination polymer was synthesized. • Temperature growth led to pores closing due to crystal lattice rearrangement. • Redox-activity of ligand preserved upon incorporation into coordination polymer. • Redox-properties of solid coordination polymer were studied in thin film. • Diffusion barriers were evaluated by molecular mechanics.

Future Secretariat: an innovation research coordination and governance structure

Science.gov (United States)

Ojima, D. S.; Johan, R.; Cramer, W.; Fukushi, K.; Allard, S.

2014-12-01

Future Earth, an emerging global sustainability research program, will be managed by a novel, internationally distributed secretariat spanning the globe and providing a platform for co-design, co-production, and co-delivery of knowledge to support research on the earth system, global development and transformation toward sustainability. The Future Earth secretariat has an innovative structure consisting of five global hubs functioning as a single entity; these hubs are located in Canada, Japan, France, Sweden, and the United States. The secretariat's reach is extended through a set of regional hubs covering Latin America, the Middle East, Africa, Europe, and Asia, with the potential to expand to additional areas. This secretariat will operate under the auspices of the Future Earth Governing Council The Future Earth Secretariat will support and enable the implementation of knowledge-sharing between research and stakeholder communities to enable society to cope with and to alter global environmental trends, and to transition society toward sustainability. The secretariat will provide coordination support to over 25 global environmental core projects and committees; coordinate scientific work across the whole Future Earth agenda; develop and implement innovative mechanisms for bottom-up inputs, synthesis and integration. Future Earth, as a research program, aims to support global transformations toward sustainability through partnerships among scientific and stakeholder communities worldwide. It brings together existing international environmental research core projects associated with DIVERSITAS, the International Geosphere-Biosphere Programme, the International Human Dimensions Programme, and the World Climate Research Programme—to support coordinated, interdisciplinary research that can be used by decision makers seeking to reduce their impact and provide more sustainable products and services. USGCRP partners with Future Earth through scientific participation in

A bipedal DNA Brownian motor with coordinated legs.

Science.gov (United States)

Omabegho, Tosan; Sha, Ruojie; Seeman, Nadrian C

2009-04-03

A substantial challenge in engineering molecular motors is designing mechanisms to coordinate the motion between multiple domains of the motor so as to bias random thermal motion. For bipedal motors, this challenge takes the form of coordinating the movement of the biped's legs so that they can move in a synchronized fashion. To address this problem, we have constructed an autonomous DNA bipedal walker that coordinates the action of its two legs by cyclically catalyzing the hybridization of metastable DNA fuel strands. This process leads to a chemically ratcheted walk along a directionally polar DNA track. By covalently cross-linking aliquots of the walker to its track in successive walking states, we demonstrate that this Brownian motor can complete a full walking cycle on a track whose length could be extended for longer walks. We believe that this study helps to uncover principles behind the design of unidirectional devices that can function without intervention. This device should be able to fulfill roles that entail the performance of useful mechanical work on the nanometer scale.

77 FR 76164 - Shipping Coordinating Committee; Notice of Committee Meeting

Science.gov (United States)

2012-12-26

... atmospheric pollution --Development of international measures for minimizing the transfer of invasive aquatic... pollution hazards of chemicals and preparation of consequential amendments --Additional guidelines for... DEPARTMENT OF STATE [Public Notice 8133] Shipping Coordinating Committee; Notice of Committee...

Job satisfaction and importance for intensive care unit research coordinators: results from binational survey.

Science.gov (United States)

Rickard, Claire M; Roberts, Brigit L; Foote, Jonathon; McGrail, Matthew R

2007-09-01

To measure Intensive Care Unit Research coordinator job satisfaction and importance and to identify priorities for role development. Research coordinator numbers are growing internationally in response to increasing clinical research activity. In Australia, 1% of registered nurses work principally in research, many as Research coordinators. Internationally, the Association of Clinical Research Professionals currently has 6536 certified Research coordinators in 13 countries, with likely additional large numbers practicing without the voluntary certification. Research coordinators are almost always nurses, but little is know about this emerging specialty. Design. Cross-sectional study using anonymous self-report questionnaire. After ethics approval, the McCloskey-Mueller Satisfaction Scale and McCloskey-Mueller Importance Scale were administered via the Internet. The sample was 49 (response rate 71%) Research coordinators from the Australia and New Zealand Intensive Care Unit Research coordinators' Interest Group. Research coordinators were satisfied with structural aspects of the position working business hours; flexibility of working hours; high levels of responsibility and control over their work. Dissatisfaction was expressed regarding: remuneration and recognition; compensation for weekend work; salary package; career advancement opportunities; and childcare facilities. High priorities for role development are those rated highly important but with much lower satisfaction. These are: compensation for weekend call-out work; salary and remuneration package; recognition by management and clinicians; career advancement opportunities; departmental research processes; encouragement and feedback; and number of working hours. Increasing numbers of nurses have been attracted to this clinically based research position. These data contribute to the understanding and development of the role.

Molecular Theory of the Living Cell Concepts, Molecular Mechanisms, and Biomedical Applications

CERN Document Server

Ji, Sungchul

2012-01-01

This book presents a comprehensive molecular theory of the living cell based on over thirty concepts, principles and laws imported from thermodynamics, statistical mechanics, quantum mechanics, chemical kinetics, informatics, computer science, linguistics, semiotics, and philosophy. The author formulates physically, chemically and enzymologically realistic molecular mechanisms to account for the basic living processes such as ligand-receptor interactions, protein folding, single-molecule enzymic catalysis, force-generating mechanisms in molecular motors, signal transduction, regulation of the genome-wide RNA metabolism, morphogenesis, the micro-macro coupling in coordination dynamics, the origin of life, and the mechanisms of biological evolution itself. Possible solutions to basic and practical problems facing contemporary biology and biomedical sciences have been suggested, including pharmacotheragnostics and personalized medicine.

International cooperation in nuclear safety

International Nuclear Information System (INIS)

Rosen, M.

1991-01-01

The mechanisms of international co-operations, co-ordinated by International Atomic Energy Agency, are presented. These co-operations are related to international safety standards, to the safety of the four hundred existing reactors in operation, to quick help and information in case of emergency, and to the already valid international conventions. The relation between atomic energy and environmental protection is also discussed briefly. (K.A.)

Molecular Diagnostics of the Internal Motions of Massive Cores

Science.gov (United States)

Pineda, Jorge; Velusamy, T.; Goldsmith, P.; Li, D.; Peng, R.; Langer, W.

2009-12-01

We present models of the internal kinematics of massive cores in the Orion molecular cloud. We use a sample of cores studied by Velusamy et al. (2008) that show red, blue, and no asymmetry in their HCO+ line profiles in equal proportion, and which therefore may represent a sample of cores in different kinematic states. We use the radiative transfer code RATRAN (Hogerheijde & van der Tak 2000) to model several transitions of HCO+ and H13CO+ as well as the dust continuum emission, of a spherical model cloud with radial density, temperature, and velocity gradients. We find that an excitation and velocity gradients are prerequisites to reproduce the observed line profiles. We use the dust continuum emission to constrain the density and temperature gradients. This allows us to narrow down the functional forms of the velocity gradient giving us the opportunity to test several theoretical predictions of velocity gradients produced by the effect of magnetic fields (e.g. Tassis et. al. 2007) and turbulence (e.g. Vasquez-Semanedi et al 2007).

Hamiltonian flow over saddles for exploring molecular phase space structures

Science.gov (United States)

Farantos, Stavros C.

2018-03-01

Despite using potential energy surfaces, multivariable functions on molecular configuration space, to comprehend chemical dynamics for decades, the real happenings in molecules occur in phase space, in which the states of a classical dynamical system are completely determined by the coordinates and their conjugate momenta. Theoretical and numerical results are presented, employing alanine dipeptide as a model system, to support the view that geometrical structures in phase space dictate the dynamics of molecules, the fingerprints of which are traced by following the Hamiltonian flow above saddles. By properly selecting initial conditions in alanine dipeptide, we have found internally free rotor trajectories the existence of which can only be justified in a phase space perspective. This article is part of the theme issue `Modern theoretical chemistry'.

Third meeting of the ITPA Co-ordinating Committee

International Nuclear Information System (INIS)

Campbell, D.J.; Shimada, M.

2003-01-01

The third meeting of the ITPA (International Tokamak Physics Activity) coordinating committee (CC), held on 24-25 October 2002 at the Max-Planck-Institut fuer Plasmaphysik, Garching. Dr. D.Campbell, Chair of the CC, noted the significant enhancement of the physics basis for burning plasma experiments, which had been achieved via the ITPA collaboration. He reported about successful assessment the ITER diagnostics requirements through ITPA Topical Groups. Dr. Aymar, ITER international team leader, summarized the status of ITER. The Topical Group chairs reported on the most significant recent developments in their areas of responsibility

Proceedings of the 3. international symposium on applied microbiology and molecular biology in oil systems: ISMOS 3

Energy Technology Data Exchange (ETDEWEB)

Rooijen, Gijs van; Caffrey, Sean M. [Genome Alberta (Canada); Lund Skovhus, Torben [DTI Oil and Gas (Denmark); Whitby, Corinne [University of Essex (United Kingdom)

2011-07-01

The 3rd international symposium on applied microbiology and molecular biology in oil systems was held in Calgary, Alberta, Canada, from June 13th to June 15th, 2011. This conference, organized by ISMOS TSC, gathered experts to discuss the application of microbial and molecular biology in the hydrocarbon sector. The conference was attended by key players from the oil and gas industry and provided them with the opportunity to learn about some of the latest technologies in areas such as the application of molecular microbiological methods for oil field systems, biodegradation of hydrocarbons in oil production, biofuels and downstream petroleum microbiology and challenges in biofuels and oil sands developments, and to network with their peers and share their expertise. 17 of the 31 papers presented during this conference have been catalogued separately for inclusion in this database.

The committee of scientific expertise coordination; Le comite de coordination d'expertise scientifique

Energy Technology Data Exchange (ETDEWEB)

NONE

2003-07-01

Placed under the MIES control, the Committee of scientific expertise coordination defines the needs, the contain and the planing of expertises realized in function of Climate national and international decisions and negotiations calendars. The Committee verifies the different expertises and offers the administrations, scientific tools and techniques useful for the negotiations. It can also define long-dated research needs which require the scientific community mobilization. This paper provides some document of the Committee: objectives, operating and priorities of the Committee, scenarios ''Factor 4'' and ''crack technology'', perceptions and practices, developing countries (China, India...), Euromed. (A.L.B.)

Poisson Coordinates.

Science.gov (United States)

Li, Xian-Ying; Hu, Shi-Min

2013-02-01

Harmonic functions are the critical points of a Dirichlet energy functional, the linear projections of conformal maps. They play an important role in computer graphics, particularly for gradient-domain image processing and shape-preserving geometric computation. We propose Poisson coordinates, a novel transfinite interpolation scheme based on the Poisson integral formula, as a rapid way to estimate a harmonic function on a certain domain with desired boundary values. Poisson coordinates are an extension of the Mean Value coordinates (MVCs) which inherit their linear precision, smoothness, and kernel positivity. We give explicit formulas for Poisson coordinates in both continuous and 2D discrete forms. Superior to MVCs, Poisson coordinates are proved to be pseudoharmonic (i.e., they reproduce harmonic functions on n-dimensional balls). Our experimental results show that Poisson coordinates have lower Dirichlet energies than MVCs on a number of typical 2D domains (particularly convex domains). As well as presenting a formula, our approach provides useful insights for further studies on coordinates-based interpolation and fast estimation of harmonic functions.

Establishment of an international reference data library of nuclear activation cross sections. Summary report of the first research co-ordination meeting held in Debrecen, Hungary, from 4 to 7 October 1994

International Nuclear Information System (INIS)

Pashchenko, A.B.

1995-02-01

The report contains the Summary of the First IAEA Research Co-ordination Meeting (RCM) of the new Co-ordinated Research Programme (CRP) on ''Establishment of an International Reference Data Library of Nuclear Activation Cross Sections''. The meeting was organized by the IAEA Nuclear Data Section with co-operation and assistance of local organizers from the Institute of Experimental Physics and held in Debrecen, Hungary, from 4 to 7 October 1994. The purpose of the RCM was to discuss the scope and goals of the CRP, to report and evaluate the first results of the research carried out by each participating laboratory, to review the current tasks, identify further actions of participants and agree on the coordination of work under this CRP. The detailed agenda, the list of participants, conclusions and recommendations of the meeting are presented in the summary report. (author)

Information Sharing and International Taxation

NARCIS (Netherlands)

Keen, M.; Ligthart, J.E.

2004-01-01

The sharing between national tax authorities of taxpayer-specific information has emerged over the last few years as a-probably "the"-central issue in the formation of international tax policy.Yet this refocusing of the debate on international taxation-away from parametric tax coordination and

Coordination symmetry determination of some lanthanide complexes by x-ray diffraction

International Nuclear Information System (INIS)

Oliveira Paiva Santos, C. de.

1983-01-01

The x-ray determination of the crystal and molecular structures of three lanthanide complexes is described. The work is a contribution to the study of the coordination chemistry of lanthanide ions with organic ligands and in particular, it aims to compare the observed point symmetry of the ion environment with spectroscopic predictions. (author)

When does International Capital Mobility Require Tax Coordination?

NARCIS (Netherlands)

Rodrik, D.; van Ypersele, T.P.M.C.

1999-01-01

Basic economic theory identifies a number of efficiency gains that derive from international capital mobility. But just as with free trade in goods, there is no guarantee that capital mobility makes everyone better o¤. Consequently, capital mobility may be politically unsustainable even though it

Metal-molecular assembly for functional materials

CERN Document Server

Matsuo, Yutaka; Negishi, Yuichi; Yoshizawa, Michito; Uemura, Takashi; Takaya, Hikaru; Takeuchi, Masayuki; Yoshimoto, Soichiro

2013-01-01

This book focuses on modern coordination chemistry, covering porous coordination polymers, metalloproteins, metallopeptides, nanoclusters, nanocapsules, aligned polymers, and fullerenes. As well, it deals with applications to electronic devices and surface characterization. These wide-ranging topics are integrally described from the perspectives of dimensionality (one-, two-, and three-dimension), new materials design, synthesis, molecular assembly, function and application. The nine chapters making up this book have been authored by scientists who are at the cutting edge of research in this p

Genetic Ablation of V2a Ipsilateral Interneurons Disrupts Left-Right Locomotor Coordination in Mammalian Spinal Cord

DEFF Research Database (Denmark)

Crone, Steven A.; Quinlan, Katharina A.; Zagoraiou, Laskaro

2008-01-01

The initiation and coordination of activity in limb muscles are the main functions of neural circuits that control locomotion. Commissural neurons connect locomotor circuits on the two sides of the spinal cord, and represent the known neural substrate for left-right coordination. Here we......-extensor coordination is unaffected. Anatomical tracing studies reveal a direct excitatory input of V2a interneurons onto commissural interneurons, including a set of molecularly defined V0 neurons that drive left-right alternation. Our findings imply that the neural substrate for left-right coordination consists...... of at least two components; commissural neurons and a class of ipsilateral interneurons that activate commissural pathways....

Foreign trip report: International Nuclide Transport Code Intercomparison Study (INTRACOIN) workshop and coordinating committee meeting, Interlaken, Switzerland, February 15-20, 1982

International Nuclear Information System (INIS)

Jansen, G. Jr.; Hewitt, W.M.

1986-01-01

The INTRACOIN (International Nuclide TRAnsport COde INtercomparison study) workshop provided material with which to benchmark codes and demonstrated a wide variety of capabilities for several types of transport problems in radionuclide migrations. Review lectures pointed to the general methods for solving ground-water transport problems and the difficulties to be expected in applying them to performance assessment. Numerical examples of solutions to benchmark problems important in waste repository safety assessment were presented. A framework of solved analytical models was provided by the work of Dr. Thomas H. Pigford of the University of California, Berkeley. Results from the US Department of Energy (DOE)-sponsored participants showed that the analytical codes are working properly and give results comparable to those of others. Further analysis of the results is needed to pinpoint discrepancies and resolve conflicts in boundary assumptions. In the coordinating group meeting, plans were made to complete a Level 1 report, and three problems with field test pumping data were fully defined and agreed upon for Level 2. The Office of Nuclear Waste Isolation (ONWT) agreed to host the Level 2 workshop in November 1982 and to appoint technical advisors to the Level 3 technical subcommittee of the coordinating group. Some information is included in microfiche form only. 8 refs., 11 tabs

International conference on clinical PET and molecular nuclear medicine (IPET 2007). Book of abstracts

Energy Technology Data Exchange (ETDEWEB)

NONE

2007-07-01

The International Atomic Energy Agency is organizing its first international conference on 'Clinical PET and Molecular Nuclear Medicine'. Medical imaging technologies have undergone explosive growth over the past two decades. Today, imaging is at a crossroad, with molecular targeted imaging agents expected to broadly expand the capabilities of conventional anatomical imaging methods. Observing molecular interactions in the living body by the radiotracer technique has become known as 'molecular nuclear medicine'. Molecular nuclear medicine techniques analyze cellular biochemistry and its relationship to disease processes expressed in tissue and organ dysfunction, for diagnostic and therapeutic purposes. People can often have similar manifestations of disease, but no two patients will be the same. Functional radionuclide imaging and positron emission tomography (PET) provide excellent opportunities to follow the pathology in individual patients and therefore provide a means for tailored clinical management. These also provide the means to assess the response to treatment in a safe and non-invasive manner. Changes at molecular and cellular levels provide vital clues for evaluating the effectiveness of chosen clinical treatment plans. This information is expected to have a major impact on understanding disease, disease detection, individualised treatment, and drug development. Recently, considerable attention has been drawn to nuclear medicine with the visualization of biochemical processes in vivo such as PET studies with 18F-FDG in many different organs and in cancerous tissues. With the arrival of PET/CT systems there is a new era of accurate mapping of disease processes. Today, 18F-FDG is the most useful PET tracer for the detection, staging, treatment planning and management of cancer. There is mounting evidence for its competitive advantage over conventional techniques in major medical areas including oncology, cardiology, and neurology. Nuclear medicine is

International conference on clinical PET and molecular nuclear medicine (IPET 2007). Book of abstracts

International Nuclear Information System (INIS)

2007-01-01

The International Atomic Energy Agency is organizing its first international conference on 'Clinical PET and Molecular Nuclear Medicine'. Medical imaging technologies have undergone explosive growth over the past two decades. Today, imaging is at a crossroad, with molecular targeted imaging agents expected to broadly expand the capabilities of conventional anatomical imaging methods. Observing molecular interactions in the living body by the radiotracer technique has become known as 'molecular nuclear medicine'. Molecular nuclear medicine techniques analyze cellular biochemistry and its relationship to disease processes expressed in tissue and organ dysfunction, for diagnostic and therapeutic purposes. People can often have similar manifestations of disease, but no two patients will be the same. Functional radionuclide imaging and positron emission tomography (PET) provide excellent opportunities to follow the pathology in individual patients and therefore provide a means for tailored clinical management. These also provide the means to assess the response to treatment in a safe and non-invasive manner. Changes at molecular and cellular levels provide vital clues for evaluating the effectiveness of chosen clinical treatment plans. This information is expected to have a major impact on understanding disease, disease detection, individualised treatment, and drug development. Recently, considerable attention has been drawn to nuclear medicine with the visualization of biochemical processes in vivo such as PET studies with 18F-FDG in many different organs and in cancerous tissues. With the arrival of PET/CT systems there is a new era of accurate mapping of disease processes. Today, 18F-FDG is the most useful PET tracer for the detection, staging, treatment planning and management of cancer. There is mounting evidence for its competitive advantage over conventional techniques in major medical areas including oncology, cardiology, and neurology. Nuclear medicine is

ITER co-ordinated technical activities

International Nuclear Information System (INIS)

2001-01-01

As agreed upon between the ITER Engineering Design Activities (EDA) Parties 'Co-ordinated Technical Activities' (CTA) means technical activities which are deemed necessary to maintain the integrity of the international project, so as to prepare for the ITER joint implementation. The scope of these activities includes design adaptation to the specific site conditions, safety analysis and licensing preparation that are based on specific site offers, evaluation of cost and construction schedule, preparation of procurement documents and other issues raised by the Parties collectively, whilst assuring the coherence of the ITER project including design control

Non-adiabatic generator-coordinate calculation of H2+

International Nuclear Information System (INIS)

Tostes, J.G.R.; Para Univ., Belem; Toledo Piza, A.F.R. de

1982-10-01

A non-adiabatic calculation of the few lowest J=O states in the H 2+ molecule done within the framework of the Generator Coordinate Method is reported. Substantial accuracy is achivied with the diagonalization of matrices of very modest dimensions. The resulting wavefunctions are strongly dominated by just a few basis states. The computational scheme is set up so as to take the best advantage of good analytical approximations to existing adiabatic molecular wavefunctions. (Author) [pt

Molecular treatment of He++H collisions

International Nuclear Information System (INIS)

Macias, A.; Riera, A.; Yanez, M.

1981-01-01

Total cross sections for the reactions 4 He + (1s)+H(1s)→ 4 He + (1s)+H(2p), 4 He + (1s) + H(1s)→ 4 He(1s2p /sup 1,3/P)+H + are calculated in an impact-parameter formalism, for collision energies 0.5--30 keV, using a molecular approach. The molecular energies are calculated at large internuclear distances by a configuration-interaction method, and at short distances by a block-diagonalization method. The radial couplings between the molecular wave functions are evaluated exactly, and turn out to depend strongly on the choice of origin of electronic coordinates; as a consequence, the cross sections also depend on this choice. The effect of the anomalous rotational couplings which decrease like R -1 is shown to be negligible, and a method to integrate them is proposed in the Appendix. Choosing the center of mass as origin of electronic coordinates, we obtain good agreement with experimental data, but we find no a priori reason to favor this choice. As an important conclusion, the main effect of the so-called momentum-transfer problem, which is the origin dependence of the cross sections, is due to the form of the molecular wave functions at short internuclear distances

Economic analysis of the cross-border coordination of operation in the European power system

International Nuclear Information System (INIS)

Janssen, Tanguy

2014-01-01

The electricity high voltage transmission networks are interconnected over most of the continents but this is not the case of the power system organizations. Indeed, as described with the concept of integrated power system, the organization over these large networks is divided by several kinds of internal borders. In this context, the research object, the cross-border coordination of operation, is a set of coordination arrangements over internal borders between differing regulatory, technical and market designs. These arrangements can include for instance the famous market couplings, some cost-sharing agreements or common security assessments among several other solutions. The existence and improvement of the cross-border coordination of operation can be beneficial to the whole integrated power system. This statement is verified in the European case as in 2012 where several regional and continental coordination arrangements are successfully implemented.In order to benefit from the European experience and contribute to support the European improvement process, this thesis investigates the cross-border coordination of operation in the European case with four angles of study. First, a modular framework is built to describe the existing solutions and the implementation choices from a regulatory point of view. Second, the thesis analyses the tools available to assess the impact of an evolution of the cross-border coordination. Third, the role of the European Union (EU) is described as critical both for the existing arrangements and to support the improvement process. The last angle of study focuses on two dimensions of the economic modes of coordination between transmission system operators. (author)

Optimal Energy Management of Multi-Microgrids with Sequentially Coordinated Operations

Directory of Open Access Journals (Sweden)

Nah-Oak Song

2015-08-01

Full Text Available We propose an optimal electric energy management of a cooperative multi-microgrid community with sequentially coordinated operations. The sequentially coordinated operations are suggested to distribute computational burden and yet to make the optimal 24 energy management of multi-microgrids possible. The sequential operations are mathematically modeled to find the optimal operation conditions and illustrated with physical interpretation of how to achieve optimal energy management in the cooperative multi-microgrid community. This global electric energy optimization of the cooperative community is realized by the ancillary internal trading between the microgrids in the cooperative community which reduces the extra cost from unnecessary external trading by adjusting the electric energy production amounts of combined heat and power (CHP generators and amounts of both internal and external electric energy trading of the cooperative community. A simulation study is also conducted to validate the proposed mathematical energy management models.

17 CFR 200.15 - Office of International Affairs.

Science.gov (United States)

2010-04-01

... to international securities markets. OIA facilitates the development of and, where appropriate... and understandings with foreign financial regulatory authorities. OIA coordinates and participates in.... Government departments and agencies affecting regulation of securities markets. OIA plans, coordinates and...

INTERNAL MOBILITY OPPORTUNITIES IN THE CONTEXT OF INCREASING FOCUS ON LHC

CERN Multimedia

Human Resources Division

2002-01-01

The Management has decided to introduce measures to encourage Internal Mobility of staff members, particularly in the light of requirements for additional posts that have now been approved for the LHC Project. These measures include CERN-wide publicity to open posts for internal mobility, the setting up of a Human Resources Review Board (HRRB) which will ensure monitoring and arbitration at Organization level, the nomination of an Internal Mobility Coordinator, and incentives for the staff concerned. Staff members holding an indefinite contract are invited to apply for a first set of vacancies in LHC Division listed below, for which descriptions and requirements are displayed on the HR Division Web site together with a summary of the Internal Mobility procedure. Confidential enquiries may be addressed to the Internal Mobility Coordinator, R. Rayson/HR (tel. 72808 / email: rob.rayson@cern.ch), to the respective HR Coordinator or the contact person in the requesting Division, as indicated in the internal vacanc...

Joint Radiation Emergency Management Plan of the International Organizations of the International Organizations. Date Effective: 1 March 2017

International Nuclear Information System (INIS)

2017-01-01

This Joint Emergency Management Plan of the International Organizations (Joint Plan) describes the interagency framework of preparedness for and response to an actual, potential or perceived nuclear or radiological emergency independent of whether it arises from an accident, natural disaster, negligence, nuclear security event or any other cause. The IAEA is the main coordinating body for development and maintenance of the Joint Plan. The Joint Plan is intended to support and underpin the efforts of national governments and seeks to ensure a coordinated and harmonized international response to nuclear or radiological emergencies. It is not intended to interfere with or replace the emergency preparedness and response arrangements of international organizations (or States).

Coordinated research efforts for establishing an international radiotherapy dose intercomparison service based on the alanine/ESR system

International Nuclear Information System (INIS)

Nette, H.P.; Onori, S.; Fattibene, P.; Regulla, D.; Wieser, A.

1993-01-01

The IAEA has long been active in the field of high-dose standardization. An International Dose Assurance Service (IDAS) was established based on alanine/ESR dosimetry. This service operates over the range of 100 Gy to 100 kGy and is directed towards industrial radiation processing in IAEA member states. It complements the IAEA/WHO TLD postal dose intercomparison service for dose assurance in hospital radiotherapy departments. Experience with the alanine high dose service suggests that the alanine dosimeter might provide superior performance to TLD in the therapy dose range. Preliminary test measurements with the participation of GSF/Germany, Istituto Superiore di Sanita/Italy (both providing alanine dosimeters and their evaluation) and IAEA (providing reference irradiations) seems to justify research efforts through an IAEA Coordinated Research Programme (CRP). This CRP, entitled ''Therapy Level Dosimetry with the Alanine/ESR System'' is presently under set-up. It will include general work common to all assigned/potential contract holders as well as some specific research topics in accordance to individual proposals of each participant. (author)

International bulletin on atomic and molecular data for fusion. No. 66, August 2007

International Nuclear Information System (INIS)

Humbert, D.; Bannister, M.E.; Fuhr, J.; Gilbody, H.B.

2007-08-01

Information in this Bulletin is presented in four parts. The Atomic and Molecular Data Information System (AMDIS) of the International Atomic Energy Agency is presented in Part 1. The indexed papers are listed separately for structure and spectra, atomic and molecular collisions, and surface interactions in Part 2. The structure and spectra indexation lines are grouped by process. The first column gives the process, the second one the reactants and then the character of the data contained (Th for theoretical, Ex for experimental, and E/T for both experimental and theoretical). The number in the last column is the reference number in Part 3 of the Bulletin. The atomic and molecular indexation lines are grouped by one collision partner (photon, electron or heavy particle). The first column gives the reactants, the second column gives the process, the third column gives the energy range with the appropriate units, and the last two columns are the same as in the structure and spectra indexation lines. The particle-surface interactions indexation lines are grouped by process. The first column gives the reactants, the second the energy range with the appropriate units, and the last two columns are the same as in the previous cases. Part 3 contains all the bibliographic data for both the indexed and non-indexed references. Those references which are indexed in Part 1 are identified by the repeated indexation lines. The Author Index (Part 4) refers to the bibliographic references contained in Part 3

International bulletin on atomic and molecular data for fusion. No. 68, December 2009

International Nuclear Information System (INIS)

Chung, H.K.; Humbert, D.

2009-12-01

Information in this Bulletin is presented in four parts. The Atomic and Molecular Data Information System (AMDIS) of the International Atomic Energy Agency is presented in Part 1. The indexed papers are listed separately for structure and spectra, atomic and molecular collisions, and surface interactions in Part 2. The structure and spectra index lines are grouped by process. The first column gives the reactants, the second one the process and then the character of the data contained (Th for theoretical, Ex for experimental, and E/T for both experimental and theoretical). The number in the last column is the reference number in Part 3 of the Bulletin. The atomic and molecular index lines are grouped by one collision partner (photon, electron or heavy particle). The first column gives the reactants, the second column gives the process, the third column gives the energy range with the appropriate units, and the last two columns are the same as in the structure and spectra index lines. The particle-surface interactions index lines are grouped by process. The first column gives the reactants, the second the energy range with the appropriate units, and the last two columns are the same as in the previous cases. Part 3 contains all the bibliographic data for both the indexed and non-indexed references. Those references which are indexed in Part 1 are identified by the repeated index lines. The Author Index (Part 4) refers to the bibliographic references contained in Part 3

International Bulletin on Atomic and Molecular Data for Fusion. No. 67, December 2008

International Nuclear Information System (INIS)

Humbert, D.

2008-12-01

Information in this Bulletin is presented in four parts. The Atomic and Molecular Data Information System (AMDIS) of the International Atomic Energy Agency is presented in Part 1. The indexed papers are listed separately for structure and spectra, atomic and molecular collisions, and surface interactions in Part 2. The structure and spectra indexation lines are grouped by process. The first column gives the process, the second one the reactants and then the character of the data contained (Th for theoretical, Ex for experimental, and E/T for both experimental and theoretical). The number in the last column is the reference number in Part 3 of the Bulletin. The atomic and molecular indexation lines are grouped by one collision partner (photon, electron or heavy particle). The first column gives the reactants, the second column gives the process, the third column gives the energy range with the appropriate units, and the last two columns are the same as in the structure and spectra indexation lines. The particle-surface interactions indexation lines are grouped by process. The first column gives the reactants, the second the energy range with the appropriate units, and the last two columns are the same as in the previous cases. Part 3 contains all the bibliographic data for both the indexed and non-indexed references. Those references which are indexed in Part 1 are identified by the repeated indexation lines. The Author Index (Part 4) refers to the bibliographic references contained in Part 3.

Recent Data Generation Activities at the Atomic and Molecular Data Unit of the IAEA

International Nuclear Information System (INIS)

Clark, R.E.H.; Humbert, D.

2005-01-01

The main data generation mechanism of the Atomic and Molecular (A+M) Data Unit of the IAEA is the Co-ordinated Research Project (CRP). The International Fusion Research Council Subcommittee on Atomic and Molecular Data for Fusion recommends topics for new CRPs to be initiated by the A+M Unit. A typical CRP has a lifetime of three to five years. At the start of the CRP a Research Co-ordination Meeting (RCM) is held with the purpose of formulating a detailed work plan. At later RCMs progress on these work plans is reported and the studies debated and expanded. At the conclusion of the CRP the results are compiled in a volume of the journal Atomic and Plasma-Material Interaction Data for Fusion. Numerical results are also added to the electronic database as appropriate. Normally the Unit has three to four active CRPs, and also holds Technical Meetings and invites individual Consultants to IAEA Headquarters, Vienna for specific tasks. Such activities can result in providing advice on a particular topic, on data for a particular process, or a new capability to be made widely available. Recently, consultants to the Unit have provided extensive additions to the Unit databases, as well as interfaces to run several calculational tools through the Internet. Specific examples will be presented

Sinusoidal error perturbation reveals multiple coordinate systems for sensorymotor adaptation.

Science.gov (United States)

Hudson, Todd E; Landy, Michael S

2016-02-01

A coordinate system is composed of an encoding, defining the dimensions of the space, and an origin. We examine the coordinate encoding used to update motor plans during sensory-motor adaptation to center-out reaches. Adaptation is induced using a novel paradigm in which feedback of reach endpoints is perturbed following a sinewave pattern over trials; the perturbed dimensions of the feedback were the axes of a Cartesian coordinate system in one session and a polar coordinate system in another session. For center-out reaches to randomly chosen target locations, reach errors observed at one target will require different corrections at other targets within Cartesian- and polar-coded systems. The sinewave adaptation technique allowed us to simultaneously adapt both dimensions of each coordinate system (x-y, or reach gain and angle), and identify the contributions of each perturbed dimension by adapting each at a distinct temporal frequency. The efficiency of this technique further allowed us to employ perturbations that were a fraction the size normally used, which avoids confounding automatic adaptive processes with deliberate adjustments made in response to obvious experimental manipulations. Subjects independently corrected errors in each coordinate in both sessions, suggesting that the nervous system encodes both a Cartesian- and polar-coordinate-based internal representation for motor adaptation. The gains and phase lags of the adaptive responses are not readily explained by current theories of sensory-motor adaptation. Copyright © 2015 Elsevier Ltd. All rights reserved.

22 CFR 104.1 - Coordination of implementation of the Trafficking Victims Protection Act of 2000, as amended.

Science.gov (United States)

2010-04-01

... 22 Foreign Relations 1 2010-04-01 2010-04-01 false Coordination of implementation of the Trafficking Victims Protection Act of 2000, as amended. 104.1 Section 104.1 Foreign Relations DEPARTMENT OF STATE ECONOMIC AND OTHER FUNCTIONS INTERNATIONAL TRAFFICKING IN PERSONS: INTERAGENCY COORDINATION OF...

Cortical basis of communication: local computation, coordination, attention.

Science.gov (United States)

Alexandre, Frederic

2009-03-01

Human communication emerges from cortical processing, known to be implemented on a regular repetitive neuronal substratum. The supposed genericity of cortical processing has elicited a series of modeling works in computational neuroscience that underline the information flows driven by the cortical circuitry. In the minimalist framework underlying the current theories for the embodiment of cognition, such a generic cortical processing is exploited for the coordination of poles of representation, as is reported in this paper for the case of visual attention. Interestingly, this case emphasizes how abstract internal referents are built to conform to memory requirements. This paper proposes that these referents are the basis for communication in humans, which is firstly a coordination and an attentional procedure with regard to their congeners.

International cooperation and coordination of activities to rehabilitate the population, ecology and economic development of Semipalatinsk region

International Nuclear Information System (INIS)

Behrstock, H.

1998-01-01

It is in this context that international cooperation and coordination took important steps forward in 1997 and 1998. At the last session of the United Nations General Assembly in December 1997, a Resolution was submitted with nearly 50 co-sponsors and adopted unanimously which called for an assessment to be conducted of the humanitarian effects of the nuclear testing in the Semipalatinsk region. It requested the United nations Secretary General, U N organizations and agencies, with the support of the international community, to collaborate in carrying out this assessment and to report back to the General Assembly at its next regular session which shall begin later this month in New York. This was a remarkable turning point in the global awareness about Semipalatinsk. The resolution also implicitly drew attention to the fact that Kazakstan and its populations, as victims of an extraordinary chapter of the nuclear era, should have the knowledge and the benefits that might come from an appropriate assessment of the consequences and the needs resulting from 40 years of nuclear testing, as well as the rise and fall of the Polygon. The total package of priority needs includes some $43.2 million dollars of projects: $33.7 are deemed to be relatively highest priority, but many could be effectively implemented in phases or stages and would still make a most significant contribution and impact. The breakdown is - health diagnosis, treatment and rehabilitation - $24 million; - urgent humanitarian needs - $3.3 million; - ecological stabilization and environmental protection - $7.8 million; - economic rehabilitation - $6.6 million; - information dissemination - $1.3 million

Flagellar coordination in Chlamydomonas cells held on micropipettes.

Science.gov (United States)

Rüffer, U; Nultsch, W

1998-01-01

The two flagella of Chlamydomonas are known to beat synchronously: During breaststroke beating they are generally coordinated in a bilateral way while in shock responses during undulatory beating coordination is mostly parallel [Rüffer and Nultsch, 1995: Botanica Acta 108:169-276]. Analysis of a great number of shock responses revealed that in undulatory beats also periods of bilateral coordination are found and that the coordination type may change several times during a shock response, without concomitant changes of the beat envelope and the beat period. In normal wt cells no coordination changes are found during breaststroke beating, but only short temporary asynchronies: During 2 or 3 normal beats of the cis flagellum, the trans flagellum performs 3 or 4 flat beats with a reduced beat envelope and a smaller beat period, resulting in one additional trans beat. Long periods with flat beats of the same shape and beat period are found in both flagella of the non-phototactic mutant ptx1 and in defective wt 622E cells. During these periods, the coordination is parallel, the two flagella beat alternately. A correlation between normal asynchronous trans beats and the parallel-coordinated beats in the presumably cis defective cells and also the undulatory beats is discussed. In the cis defective cells, a perpetual spontaneous change between parallel beats with small beat periods (higher beat frequency) and bilateral beats with greater beat periods (lower beat frequency) are observed and render questionable the existence of two different intrinsic beat frequencies of the two flagella cis and trans. Asynchronies occur spontaneously but may also be induced by light changes, either step-up or step-down, but not by both stimuli in turn as breaststroke flagellar photoresponses (BFPRs). Asynchronies are not involved in phototaxis. They are independent of the BFPRs, which are supposed to be the basis of phototaxis. Both types of coordination must be assumed to be regulated

Rehabilitating health services in Cambodia: the challenge of coordination in chronic political emergencies.

Science.gov (United States)

Lanjouw, S; Macrae, J; Zwi, A B

1999-09-01

The end of the Cold War brought with it opportunities to resolve a number of conflicts around the world, including those in Angola, Cambodia, El Salvador and Mozambique. International political efforts to negotiate peace in these countries were accompanied by significant aid programmes ostensibly designed to redress the worst effects of conflict and to contribute to the consolidation of peace. Such periods of political transition, and associated aid inflows, constitute an opportunity to improve health services in countries whose health indicators have been among the worst in the world and where access to basic health services is significantly diminished by war. This paper analyzes the particular constraints to effective coordination of health sector aid in situations of 'post'-conflict transition. These include: the uncertain legitimacy and competence of state structures; donor choice of implementing channels; and actions by national and international political actors which served to undermine coordination mechanisms in order to further their respective agendas. These obstacles hindered efforts by health professionals to establish an effective coordination regime, for example, through NGO mapping and the establishment of aid coordinating committees at national and provincial levels. These technical measures were unable to address the basic constitutional question of who had the authority to determine the distribution of scarce resources during a period of transition in political authority. The peculiar difficulties of establishing effective coordination mechanisms are important to address if the long-term effectiveness of rehabilitation aid is to be enhanced.

Coordination compounds of rare-earth metals with organic ligands for electroluminescent diodes

International Nuclear Information System (INIS)

Katkova, M A; Bochkarev, Mikhail N; Vitukhnovsky, Alexey G

2005-01-01

Data on lanthanide coordination compounds with organic ligands used in the design of electroluminescent diodes are summarised and systematically represented. The molecular and electronic structures and spectroscopic characteristics of these compounds are considered. A comparative analysis of the properties of organic electroluminescent diodes with different compositions of emitting and conductive layers is presented.

Coordination of environmental restoration and waste management and foreign country technologies and needs

International Nuclear Information System (INIS)

Colburn, S.J.; Wilkenson, W.J.; Stitt, D.H.; Snipes, R.L.

1993-01-01

Oak Ridge National Laboratory (ORNL) investigated foreign technologies for the International Technology Exchange Division (ITED) that could be matched with possible hosts for demonstrations. At least one international technology demonstration at a Department of Defense (DoD) site in European country was planned. Efforts were made to coordinate cooperative technology demonstrations between the Department of Energy (DOE) and Taiwan

26 CFR 1.992-4 - Coordination with personal holding company provisions in case of certain produced film rents.

Science.gov (United States)

2010-04-01

... 26 Internal Revenue 10 2010-04-01 2010-04-01 false Coordination with personal holding company provisions in case of certain produced film rents. 1.992-4 Section 1.992-4 Internal Revenue INTERNAL REVENUE SERVICE, DEPARTMENT OF THE TREASURY (CONTINUED) INCOME TAX (CONTINUED) INCOME TAXES Domestic International...

CONSTRUCTION THEORY AND NOISE ANALYSIS METHOD OF GLOBAL CGCS2000 COORDINATE FRAME

Directory of Open Access Journals (Sweden)

Z. Jiang

2018-04-01

Full Text Available The definition, renewal and maintenance of geodetic datum has been international hot issue. In recent years, many countries have been studying and implementing modernization and renewal of local geodetic reference coordinate frame. Based on the precise result of continuous observation for recent 15 years from state CORS (continuously operating reference system network and the mainland GNSS (Global Navigation Satellite System network between 1999 and 2007, this paper studies the construction of mathematical model of the Global CGCS2000 frame, mainly analyzes the theory and algorithm of two-step method for Global CGCS2000 Coordinate Frame formulation. Finally, the noise characteristic of the coordinate time series are estimated quantitatively with the criterion of maximum likelihood estimation.

Biocultural Predictors of Motor Coordination Among Prepubertal Boys and Girls.

Science.gov (United States)

Luz, Leonardo G O; Valente-Dos-Santos, João; Luz, Tatiana D D; Sousa-E-Silva, Paulo; Duarte, João P; Machado-Rodrigues, Aristides; Seabra, André; Santos, Rute; Cumming, Sean P; Coelho-E-Silva, Manuel J

2018-02-01

This study aimed to predict motor coordination from a matrix of biocultural factors for 173 children (89 boys, 84 girls) aged 7-9 years who were assessed with the Körperkoordinationtest für Kinder test battery. Socioeconomic variables included built environment, area of residence, mother's educational level, and mother's physical activity level (using the International Physical Activity Questionnaire [short version]). The behavioral domain was marked by participation in organized sports and habitual physical activity measured by accelerometers ( ActiGraph GT1M). Indicators of biological development included somatic maturation and body mass index. Among males, the best logistic regression model to explain motor coordination (Nagelkerke R 2   = 50.8; χ 2  = 41.166; p girls, the best logistic regression to explain motor coordination (Nagelkerke R 2   = 40.8; χ 2  = 29.933; p physical activity level (OR = 0.183). This sex-specific, ecological approach to motor coordination proficiency may help promote physical activity during prepubertal years through familiar determinants.

A sense of time: how molecular clocks organize metabolism.

Science.gov (United States)

Kohsaka, Akira; Bass, Joseph

2007-01-01

The discovery of an internal temporal clockwork that coordinates behavior and metabolism according to the rising and setting of the sun was first revealed in flies and plants. However, in the past decade, a molecular transcription-translation feedback loop with similar properties has also been identified in mammals. In mammals, this transcriptional oscillator programs 24-hour cycles in sleep, activity and feeding within the master pacemaker neurons of the suprachiasmatic nucleus of the hypothalamus. More recent studies have shown that the core transcription mechanism is also present in other locations within the brain, in addition to many peripheral tissues. Processes ranging from glucose transport to gluconeogenesis, lipolysis, adipogenesis and mitochondrial oxidative phosphorylation are controlled through overlapping transcription networks that are tied to the clock and are thus time sensitive. Because disruption of tissue timing occurs when food intake, activity and sleep are altered, understanding how these many tissue clocks are synchronized to tick at the same time each day, and determining how each tissue 'senses time' set by these molecular clocks might open new insight into human disease, including disorders of sleep, circadian disruption, diabetes and obesity.

Coordination properties of warfarin towards Pr(III) predicted from DFT and FT-IR studies

International Nuclear Information System (INIS)

Mihaylov, Tz.; Trendafilova, N.; Georgieva, I.; Kostova, I.

2010-01-01

Graphical abstract: The coordination behavior of warfarin towards Pr(III) in Pr(L) 3 .5H 2 O complex (L - warfarin) is investigated through molecular modeling at B3LYP/6-31G(d,p) level and consequent exhaustive comparative vibrational analysis of the ligand and the complex. The calculations predicted that the ligand binds to the metal through the deprotonated enol group and the keto C=O group in pseudo-octahedral polyhedron. The simulated vibrational spectrum of the model complex proposed is in excellent agreement with the experimental one. - Abstract: The coordination behavior of warfarin towards Pr(III) in Pr(L) 3 .5H 2 O complex (L - warfarin) is investigated through molecular modeling at B3LYP/6-31G(d,p) level and consequent exhaustive comparative vibrational analysis of the ligand and the complex. The calculated NPA charges, Fukui functions and MEP values of the anionic ligand in solution pointed out that the oxygen atoms of the deprotonated hydroxyl and the coumarin carbonyl groups are the most probable reactive sites upon coordination. The metal-ligand binding mode of warfarin is predicted through molecular modeling and energy estimation of different Pr(III)-warfarin structures. In the most stable model structure, the ligand-metal binding is realized through the oxygen of the deprotonated OH group and the oxygen of the keto C=O group in pseudo-octahedral polyhedron. The suggested metal-ligand binding mode is confirmed by comparative vibrational analysis of the free ligand and various model structures with different metal-ligand binding modes.

Coordination properties of warfarin towards Pr(III) predicted from DFT and FT-IR studies

Energy Technology Data Exchange (ETDEWEB)

Mihaylov, Tz., E-mail: tzmihay@svr.igic.bas.bg [Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Sofia (Bulgaria); Trendafilova, N.; Georgieva, I. [Institute of General and Inorganic Chemistry, Bulgarian Academy of Sciences, Sofia (Bulgaria); Kostova, I., E-mail: irenakostova@yahoo.com [Department of Chemistry, Faculty of Pharmacy, Medical University, Sofia (Bulgaria)

2010-08-23

Graphical abstract: The coordination behavior of warfarin towards Pr(III) in Pr(L){sub 3}.5H{sub 2}O complex (L - warfarin) is investigated through molecular modeling at B3LYP/6-31G(d,p) level and consequent exhaustive comparative vibrational analysis of the ligand and the complex. The calculations predicted that the ligand binds to the metal through the deprotonated enol group and the keto C=O group in pseudo-octahedral polyhedron. The simulated vibrational spectrum of the model complex proposed is in excellent agreement with the experimental one. - Abstract: The coordination behavior of warfarin towards Pr(III) in Pr(L){sub 3}.5H{sub 2}O complex (L - warfarin) is investigated through molecular modeling at B3LYP/6-31G(d,p) level and consequent exhaustive comparative vibrational analysis of the ligand and the complex. The calculated NPA charges, Fukui functions and MEP values of the anionic ligand in solution pointed out that the oxygen atoms of the deprotonated hydroxyl and the coumarin carbonyl groups are the most probable reactive sites upon coordination. The metal-ligand binding mode of warfarin is predicted through molecular modeling and energy estimation of different Pr(III)-warfarin structures. In the most stable model structure, the ligand-metal binding is realized through the oxygen of the deprotonated OH group and the oxygen of the keto C=O group in pseudo-octahedral polyhedron. The suggested metal-ligand binding mode is confirmed by comparative vibrational analysis of the free ligand and various model structures with different metal-ligand binding modes.

Rice breeding with induced mutations II. Report of an FAO/IAEA research co-ordination meeting

Energy Technology Data Exchange (ETDEWEB)

NONE

1970-03-01

This report contains the proceedings of the fourth meeting of participants in the FAO/IAEA Co-ordinated Program of Research on the Use of Induced Mutations in Rice Breeding, a program which was initiated in 1964. The three previous meetings were reported as follows: First: proceedings published in the International Rice Commission Newsletter, Vol. XV, No. 1 (1966). Second: report presented to the IRC Working Party meeting at Lake Charles, Louisiana, 18-30 July 1966. Third: proceedings published by the IAEA as Technical Reports Series No. 86 under the title 'Rice breeding with induced mutations'. The fourth meeting was held at Oiso, Japan, on 12-14 August 1968. Co-operators from nine countries attended, together with scientists from five other countries, the International Rice Research Institute, the Rockefeller Foundation, the International Rice Commission, and the FAO and IAEA. In addition, a number of scientists from the host country were present. The purpose of the meeting was to present reports on research related to or carried out under the co-ordinated program in 1967/68, to review and co-ordinate research plans for 1968/69, and to draw up technical recommendations for future work.

Tissue stiffening coordinates morphogenesis by triggering collective cell migration in vivo.

Science.gov (United States)

Barriga, Elias H; Franze, Kristian; Charras, Guillaume; Mayor, Roberto

2018-02-22

Collective cell migration is essential for morphogenesis, tissue remodelling and cancer invasion. In vivo, groups of cells move in an orchestrated way through tissues. This movement involves mechanical as well as molecular interactions between cells and their environment. While the role of molecular signals in collective cell migration is comparatively well understood, how tissue mechanics influence collective cell migration in vivo remains unknown. Here we investigated the importance of mechanical cues in the collective migration of the Xenopus laevis neural crest cells, an embryonic cell population whose migratory behaviour has been likened to cancer invasion. We found that, during morphogenesis, the head mesoderm underlying the cephalic neural crest stiffens. This stiffening initiates an epithelial-to-mesenchymal transition in neural crest cells and triggers their collective migration. To detect changes in their mechanical environment, neural crest cells use mechanosensation mediated by the integrin-vinculin-talin complex. By performing mechanical and molecular manipulations, we show that mesoderm stiffening is necessary and sufficient to trigger neural crest migration. Finally, we demonstrate that convergent extension of the mesoderm, which starts during gastrulation, leads to increased mesoderm stiffness by increasing the cell density underneath the neural crest. These results show that convergent extension of the mesoderm has a role as a mechanical coordinator of morphogenesis, and reveal a link between two apparently unconnected processes-gastrulation and neural crest migration-via changes in tissue mechanics. Overall, we demonstrate that changes in substrate stiffness can trigger collective cell migration by promoting epithelial-to-mesenchymal transition in vivo. More broadly, our results raise the idea that tissue mechanics combines with molecular effectors to coordinate morphogenesis.

The committee of scientific expertise coordination; Le comite de coordination d'expertise scientifique

Energy Technology Data Exchange (ETDEWEB)

NONE

2003-07-01

Placed under the MIES control, the Committee of scientific expertise coordination defines the needs, the contain and the planing of expertises realized in function of Climate national and international decisions and negotiations calendars. The Committee verifies the different expertises and offers the administrations, scientific tools and techniques useful for the negotiations. It can also define long-dated research needs which require the scientific community mobilization. This paper provides some document of the Committee: objectives, operating and priorities of the Committee, scenarios ''Factor 4'' and ''crack technology'', perceptions and practices, developing countries (China, India...), Euromed. (A.L.B.)

A molecular dynamics analysis of internal friction effects on the plasticity of Zr65Cu35 metallic glass

International Nuclear Information System (INIS)

Feng, Shidong; Qi, Li; Zhao, Fengli; Pan, Shaopeng; Li, Gong; Ma, Mingzhen; Liu, Riping

2015-01-01

Highlights: • Effects of internal friction on plasticity is investigated at the atomic level. • The simulations allow reproduction of images of internal friction evolution. • The simulation results are in good agreement with experiments and theories. • This simulation can predict the deformation mode with different internal friction. - Abstract: The effects of internal friction (IF) on Zr 65 Cu 35 metallic glass plasticity are investigated through molecular dynamics simulations. Results show that the Voronoi polyhedron 〈0, 3, 6, 3〉 increases as IF increases, thereby effectively inhibiting localized deformation and improving metallic glass plasticity. The simulations allow reproduction of images of IF evolution in metallic glasses subjected to isothermal annealing at 730 K and 850 K respectively, which can help explain the experimental observations. IF could be adjusted by selecting suitable annealing temperatures and cooling rates. The results of this work provide a strong foundation for future metallic glass designs

Coordinated Resolved Motion Control of Dual-Arm Manipulators with Closed Chain

Directory of Open Access Journals (Sweden)

Tianliang Liu

2016-05-01

Full Text Available When applied to some tasks, such as payload handling, assembling, repairing and so on, the two arms of a humanoid robot will form a closed kinematic chain. It makes the motion planning and control for dual-arm coordination very complex and difficult. In this paper, we present three types of resolved motion control methods for a humanoid robot during coordinated manipulation. They are, respectively, position-level, velocity-level and acceleration-level resolved motion control methods. The desired pose, velocity and acceleration of each end-effector are then resolved according to the desired motion of the payload and the constraints on the closed-chain system without consideration of the internal force. Corresponding to the three cases above, the joint variables of each arm are then calculated using the inverse kinematic equations, at position-level, velocity-level or acceleration-level. Finally, a dynamic modelling and simulation platform is established based on ADAMS and Matlab software. The proposed methods are verified by typical cases. The simulation results show that the proposed control strategy can realize the dual-arm coordinated operation and the internal force of the closed chain during the operation is controlled in a reasonable range at the same time.

Care coordination in primary health care: an evaluative study in a municipality in the Northeast of Brazil.

Science.gov (United States)

Aleluia, Italo Ricardo Santos; Medina, Maria Guadalupe; Almeida, Patty Fidelis de; Vilasbôas, Ana Luiza Queiroz

2017-06-01

International and Brazilian studies have highlighted the importance of the coordination of care for the organization of local health systems. This study aimed to analyze the coordination of care by Primary Health Care (PHC) in a municipal health system in the State of Bahia. This study was conducted in the lead municipality of the macro-region and involved two levels of analysis: PHC team and municipal management. Outlining conditions for the study were defined (hypertension and diabetes mellitus) and an objective image corresponding to the coordination of care was developed based on current national and international literature review. Semi-structured interviews with professionals, managers of PHC services were conducted and current documentary sources were also used. It was demonstrated that the coordination of care has not been met by municipal systems, where only 14 of the 22 proposed criteria have been met. The main difficulties and reasons were: a lack of health care protocols and the non-implementation of computer systems and telecommunication technologies. The results and the conceptual framework to assess the coordination of care are relevant contributions to this study, which can be applied to other contexts with similar characteristics.

Molecular dynamics coupled with a virtual system for effective conformational sampling.

Science.gov (United States)

Hayami, Tomonori; Kasahara, Kota; Nakamura, Haruki; Higo, Junichi

2018-07-15

An enhanced conformational sampling method is proposed: virtual-system coupled canonical molecular dynamics (VcMD). Although VcMD enhances sampling along a reaction coordinate, this method is free from estimation of a canonical distribution function along the reaction coordinate. This method introduces a virtual system that does not necessarily obey a physical law. To enhance sampling the virtual system couples with a molecular system to be studied. Resultant snapshots produce a canonical ensemble. This method was applied to a system consisting of two short peptides in an explicit solvent. Conventional molecular dynamics simulation, which is ten times longer than VcMD, was performed along with adaptive umbrella sampling. Free-energy landscapes computed from the three simulations mutually converged well. The VcMD provided quicker association/dissociation motions of peptides than the conventional molecular dynamics did. The VcMD method is applicable to various complicated systems because of its methodological simplicity. © 2018 Wiley Periodicals, Inc. © 2018 Wiley Periodicals, Inc.

Joint Coordinating Committee on environmental restoration and waste management (JCCEM) support, technology transfer, and special projects

International Nuclear Information System (INIS)

Edgar, D.E.

1993-01-01

Argonne National Laboratory (ANL) assisted in identifying and evaluating foreign technologies to meet EM needs; supported the evaluation, removal, and/or revision of barriers to international technology and information transfer/exchange; facilitated the integration and coordination of U.S. government international environmental restoration and waste management activities; and enhanced U.S. industry's competitiveness in the international environmental technology market

Comparative international studies of osteoporosis using isotope techniques. Report on the first research co-ordination meeting

International Nuclear Information System (INIS)

1996-01-01

Poor bone health is a major public health problem of worldwide concern. It affects all segments of the population, but is particularly important in older people (and, most of all, in post-menopausal women). In view of the fat that the numbers of older people, both in absolute terms and as a fraction of the total population, are increasing practically everywhere, there is little doubt that poor bone health will become a much more widespread and severe problem in coming decades. Earlier in 1994 the International Atomic Energy Agency (henceforth ''the Agency'') started a 5-year Co-ordinated Research Programme (CRP) based on the recommendations of an Advisory Group Meeting (AGM) held in 1992. This CRP currently addresses on particular measure of bone health -bone mineral density (BMD). The main concept underpinning this CRP is the ideal that a major determinant of bone health in later years is peak bone mass. The objective of the Agency's CRP is to determine the age of peak bone mass in various different study groups and countries, and to investigate how BMD varies with age, sex, ethnicity and geographical origin of the subjects. Information on individual participant's plans for implementation of the CRP, and progress achieved so far on this and related topics, was presented in each country's report

Examining the impact of harmonic correlation on vibrational frequencies calculated in localized coordinates

Energy Technology Data Exchange (ETDEWEB)

Hanson-Heine, Magnus W. D., E-mail: magnus.hansonheine@nottingham.ac.uk [School of Chemistry, University of Nottingham, University Park, Nottingham NG7 2RD (United Kingdom)

2015-10-28

Carefully choosing a set of optimized coordinates for performing vibrational frequency calculations can significantly reduce the anharmonic correlation energy from the self-consistent field treatment of molecular vibrations. However, moving away from normal coordinates also introduces an additional source of correlation energy arising from mode-coupling at the harmonic level. The impact of this new component of the vibrational energy is examined for a range of molecules, and a method is proposed for correcting the resulting self-consistent field frequencies by adding the full coupling energy from connected pairs of harmonic and pseudoharmonic modes, termed vibrational self-consistent field (harmonic correlation). This approach is found to lift the vibrational degeneracies arising from coordinate optimization and provides better agreement with experimental and benchmark frequencies than uncorrected vibrational self-consistent field theory without relying on traditional correlated methods.

Motor imagery training for children with developmental coordination disorder - study protocol for a randomized controlled trial

NARCIS (Netherlands)

Adams, I.L.; Steenbergen, B.; Lust, J.M.; Smits-Engelsman, B.C.

2016-01-01

BACKGROUND: Previous studies have shown that the predictive control of movements is impaired in children with Developmental Coordination Disorder (DCD), most likely due to a deficit in the internal modeling of movements. Motor imagery paradigms have been used to test this internal modeling deficit.

Motor imagery training for children with developmental coordination disorder: Study protocol for a randomized controlled trial

NARCIS (Netherlands)

Adams, I.L.J.; Steenbergen, B.; Lust, J.M.; Smits-Engelsman, B.C.M.

2016-01-01

Background: Previous studies have shown that the predictive control of movements is impaired in children with Developmental Coordination Disorder (DCD), most likely due to a deficit in the internal modeling of movements. Motor imagery paradigms have been used to test this internal modeling deficit.

First meeting of the atomic and molecular data centre network, Vienna, 9-13 May 1977. Summary report

International Nuclear Information System (INIS)

Lorenz, A.; Seamon, R.E.

1977-08-01

The general objective of the effort started at this meeting is the formation of an internationally coordinated network of centres and groups for the systematic world-wide compilation, evaluation, exchange and dissemination of bibliographic and numerical A+M data required by the fusion community. The specific accomplishments of this meeting were the establishment of agreements for the cooperation between existing A+M data centres and groups and the IAEA Nuclear Data Section/A+M Data Unit with regard to the Quarterly Bulletin on Atomic and Molecular Data for Fusion, the Bibliographic Index to Atomic Collision Data, and the exchange of evaluated atomic collision data

Molecular docking, spectroscopic studies and quantum calculations on nootropic drug.

Science.gov (United States)

Uma Maheswari, J; Muthu, S; Sundius, Tom

2014-04-05

A systematic vibrational spectroscopic assignment and analysis of piracetam [(2-oxo-1-pyrrolidineacetamide)] have been carried out using FT-IR and FT-Raman spectral data. The vibrational analysis was aided by an electronic structure calculation based on the hybrid density functional method B3LYP using a 6-311G++(d,p) basis set. Molecular equilibrium geometries, electronic energies, IR and Raman intensities, and harmonic vibrational frequencies have been computed. The assignments are based on the experimental IR and Raman spectra, and a complete assignment of the observed spectra has been proposed. The UV-visible spectrum of the compound was recorded and the electronic properties, such as HOMO and LUMO energies and the maximum absorption wavelengths λmax were determined by the time-dependent DFT (TD-DFT) method. The geometrical parameters, vibrational frequencies and absorption wavelengths were compared with the experimental data. The complete vibrational assignments are performed on the basis of the potential energy distributions (PED) of the vibrational modes in terms of natural internal coordinates. The simulated FT-IR, FT-Raman, and UV spectra of the title compound have been constructed. Molecular docking studies have been carried out in the active site of piracetam by using Argus Lab. In addition, the potential energy surface, HOMO and LUMO energies, first-order hyperpolarizability and the molecular electrostatic potential have been computed. Copyright © 2014 Elsevier B.V. All rights reserved.

First international external quality assessment of molecular detection of Crimean-Congo hemorrhagic fever virus.

Directory of Open Access Journals (Sweden)

Camille Escadafal

Full Text Available Crimean-Congo hemorrhagic fever (CCHF is a zoonosis caused by a Nairovirus of the family Bunyaviridae. Infection is transmitted to humans mostly by Hyalomma ticks and also by direct contact with the blood or tissues of infected humans or viremic livestock. Clinical features usually include a rapid progression characterized by hemorrhage, myalgia and fever, with a lethality rate up to 30%. CCHF is one of the most widely distributed viral hemorrhagic fevers and has been reported in Africa, the Middle East and Asia, as well as parts of Europe. There is no approved vaccine or specific treatment against CCHF virus (CCHFV infections. In this context, an accurate diagnosis as well as a reliable surveillance of CCHFV infections is essential. Diagnostic techniques include virus culture, serology and molecular methods, which are now increasingly used. The European Network for the Diagnostics of "Imported" Viral Diseases organized the first international external quality assessment of CCHVF molecular diagnostics in 2011 to assess the efficiency and accurateness of CCHFV molecular methods applied by expert laboratories. A proficiency test panel of 15 samples was distributed to the participants including 10 different CCHFV preparations generated from infected cell cultures, a preparation of plasmid cloned with the nucleoprotein of CCHFV, two CCHFV RNA preparations and two negative controls. Forty-four laboratories worldwide participated in the EQA study and 53 data sets were received. Twenty data sets (38% met all criteria with optimal performance, 10 (19% with acceptable performance, while 23 (43% reported results showing a need for improvement. Differences in performance depended on the method used, the type of strain tested, the concentration of the sample tested and the laboratory performing the test. These results indicate that there is still a need for improving testing conditions and standardizing protocols for the molecular detection of Crimean

Principles and Policies for International Coordination of Research Data Networks

Science.gov (United States)

Parsons, M. A.; Mokrane, M.; Sorvari, S.; Treloar, A.; Smith, C.

2017-12-01

International data networks enable the sharing of data within and between scientific disciplines and countries and thus provide the foundation for Open Science. Developing effective and sustainable international research data networks is critical for progress in many areas of research and for science to address complex global societal challenges. However, the development and maintenance of effective networks is not always easy, particularly in a context where public resources for science are limited and international cooperation is not a priority for many countries. The global landscape for data sharing in science is complex; many international data networks already exist and have highly variable structures. Some are linked to large intergovernmental research infrastructures, have highly developed centralized services and deal mainly with the data needs of single disciplines. Some are highly distributed, have much less rigid governance structures and provide access to data from many different domains. Most are somewhere between these two extremes and they cover different geographic regions, from regional to global. All provide a mix of data and associated data services which meets the needs of the research community to various extents and this provision depends on a mix of hardware, software, standards and protocols and human skills. These come together, working across national boundaries, in technical and social networks. In all of this, what makes a network function effectively or not is unclear. This means that there is also no simple answer to what can usefully be done at the policy level to promote the development of effective and sustainable data networks. Hence the rational for the present project - to study a variety of currently successful networks, explore the challenges that they are facing and the lessons that can be learned from confronting these challenges, and, where applicable, to translate this analysis into potential policy actions. Detailed

Monte Carlo modelling of Germanium detectors for the measurement of low energy photons in internal dosimetry: Results of an international comparison

Energy Technology Data Exchange (ETDEWEB)

Gomez-Ros, J.M. [CIEMAT, Av. Complutense 22, E-28040 Madrid (Spain)], E-mail: jm.gomezros@ciemat.es; Carlan, L. de [CEA DRT/LIST/DETECS/LNHB/LMD, Bat 534, F-91191 Gif sur Yvette, Cedex (France); IRSN DRPH/SDI/LEDI, BP6, F-92262, Fontenay-aux-Roses, Cedex (France); Franck, D. [IRSN DRPH/SDI/LEDI, BP6, F-92262, Fontenay-aux-Roses, Cedex (France); Gualdrini, G. [ENEA ION-IRP, Via dei Colli 16, I-40136 Bologna (Italy); Lis, M.; Lopez, M.A.; Moraleda, M. [CIEMAT, Av. Complutense 22, E-28040 Madrid (Spain); Zankl, M. [GSF - National Research Center for Environment and Health, D-85764 Neuherberg (Germany); Badal, A. [Institut de Tecniques Energetiques, UPC, Diagonal 647, 08028 Barcelona (Spain); Capello, K. [Human Monitoring Laboratory (Canada); Cowan, P. [Serco Assurance, Bld. A32, Winfrith Tech. Centre Winfrith, Dorchester, Dorset DT2 8DH (United Kingdom); Ferrari, P. [ENEA ION-IRP, Via dei Colli 16, I-40136 Bologna (Italy); Heide, B. [Forschungszentrum Karlsruhe, Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen (Germany); Henniger, J. [Technical University of Dresden, 01062 Dresden (Germany); Hooley, V. [Serco Assurance, Bld. A32, Winfrith Tech. Centre Winfrith, Dorchester, Dorset DT2 8DH (United Kingdom); Hunt, J. [IRD, Av. Salvador Allende, s/n, Recreio, Rio de Janeiro (Brazil); Kinase, S. [Japan Atomic Energy Agency, Tokai-mura, Naka-gun, Ibaraki-ken 319-1195 (Japan); Kramer, G.H. [Human Monitoring Laboratory (Canada); Loehnert, D. [Technical University of Dresden, 01062 Dresden (Germany); Lucas, S. [LARN Laboratory, University of Namur, Rue de Bruxelles 61, B-5000 Namur (Belgium)] (and others)

2008-02-15

This communication summarizes the results concerning the Monte Carlo (MC) modelling of Germanium detectors for the measurement of low energy photons arising from the 'International comparison on MC modelling for in vivo measurement of Americium in a knee phantom' organized within the EU Coordination Action CONRAD (Coordinated Network for Radiation Dosimetry) as a joint initiative of EURADOS working groups 6 (computational dosimetry) and 7 (internal dosimetry). MC simulations proved to be an applicable way to obtain the calibration factor that needs to be used for in vivo measurements.

Coordination and relationships between organisations during the civil-military international response against Ebola in Sierra Leone: an observational discussion.

Science.gov (United States)

Forestier, Colleen; Cox, A T; Horne, S

2016-06-01

The Ebola virus disease (EVD) crisis in West Africa began in March 2014. At the beginning of the outbreak, no one could have predicted just how far-reaching its effects would be. The EVD epidemic proved to be a unique and unusual humanitarian and public health crisis. It caused worldwide fear that impeded the rapid response required to contain it early. The situation in Sierra Leone (SL) forced the formation of a unique series of civil-military interagency relationships to be formed in order to halt the epidemic. Civil-military cooperation in humanitarian situations is not unique to this crisis; however, the slow response, the unusual nature of the battle itself and the uncertainty of the framework required to fight this deadly virus created a situation that forced civilian and military organisations to form distinct, cooperative relationships. The unique nature of the Ebola virus necessitated a steering away from normal civil-military relationships and standard pillar responses. National and international non-governmental organisations (NGOs), Department for International Development (DFID) and the SL and UK militaries were required to disable this deadly virus (as of 7 November 2015, SL was declared EVD free). This paper draws on personal experiences and preliminary distillation of information gathered in formal interviews. It discusses some of the interesting features of the interagency relationships, particularly between the military, the UK's DFID, international organisations, NGOs and departments of the SL government. The focus is on how these relationships were key to achieving a coordinated solution to EVD in SL both on the ground and within the larger organisational structure. It also discusses how these relationships needed to rapidly evolve and change along with the epidemiological curve. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/

Care co-ordination for older people in the third sector: scoping the evidence.

Science.gov (United States)

Abendstern, Michele; Hughes, Jane; Jasper, Rowan; Sutcliffe, Caroline; Challis, David

2018-05-01

The third sector has played a significant role internationally in the delivery of adult social care services for many years. Its contribution to care co-ordination activities for older people, however, in England and elsewhere, is relatively unknown. A scoping review was therefore conducted to ascertain the character of the literature, the nature and extent of third sector care co-ordination activity, and to identify evidence gaps. It was undertaken between autumn 2013 and summer 2014 and updated with additional searches in 2016. Electronic and manual searches of international literature using distinct terms for different approaches to care co-ordination were undertaken. From a total of 835 papers, 26 met inclusion criteria. Data were organised in relation to care co-ordination approaches, types of third sector organisation and care recipients. Papers were predominantly from the UK and published this century. Key findings included that: a minority of literature focused specifically on older people and that those doing so described only one care co-ordination approach; third sector services tended to be associated with independence and person-centred practice; and working with the statutory sector, a prerequisite of care co-ordination, was challenging and required a range of features to be in place to support effective partnerships. Strengths and weaknesses of care co-ordination practice in the third sector according to key stakeholder groups were also highlighted. Areas for future research included the need for: a specific focus on older people's experiences; an investigation of workforce issues; detailed examination of third sector practices, outcomes and costs; interactions with the statutory sector; and an examination of quality assurance systems and their appropriateness to third sector practice. The main implication of the findings is a need to nurture variety within the third sector in order to provide older people and other adults with the range of service

Meso-Helical Ag(I) Coordination Polymer Based on a Pyridylimidazole Ligand

International Nuclear Information System (INIS)

Kang, Youngjin; Kim, Jinho; Lee, Eunji; Park, Ki-Min; Moon, Suk-Hee

2016-01-01

In the fields of material science and metallosupramolecular chemistry, coordination polymers with various helical types have been extensively explored because of their charming structures, and their potential applications in material chemistry. Among them, meso-helical coordination polymers consisting of achiral 1D strands, which are generally constructed by a crystallographic inversion symmetry, are relatively rare. The coordination polymer 1 exhibits a rare one-dimensional meso-helical chain topology constructed by its internal inversion symmetry. The skeleton of this meso-helical chain is preserved up to 300°C. The complexation of silver(I) ion to the free pyim ligand give rise to the enhanced photoluminescence intensity and slightly blue-shifted emission maximum, originated from intraligand (IL) π[BOND]π* transition and rigidochromic effect. Further exploration of complexation of this ligand with other transition metal ions is currently in progress

United Nations opens gender coordinating unit for Afghanistan.

Science.gov (United States)

Morris, K

1999-02-06

The UN has created a gender coordinating unit for Afghanistan in an effort to combat some problems encountered by women and girls in the country. Reports continue to come in of women in Afghanistan being denied the right to work, to be educated, and to have access to medical care. The gap in education between men and women continues to widen as a result of edicts issued by Taliban authorities banning girls from attending formal schools and female teachers from working. The situation has grown worse since the UN and nongovernmental organizations (NGOs) withdrew international workers last year due to security concerns. Although a UN mission will travel to the country this week to discuss the return of international staff, the gender coordinating unit will for now have to work out of Islamabad, Pakistan. The unit will create guidelines for gender mainstreaming, a strategy in which mainstream policies and resource allocations are changed to reflect the principle of gender equality. Other goals include setting realistic objectives for gender activities, working with partners on pilot projects, and establishing minimum standards for best practices. MERLIN, a NGO with a primary health care program run by local staff in the Taliban-controlled province of Farah, welcomes the move.

General Fit-Basis Functions and Specialized Coordinates in an Adaptive Density-Guided Approach to Potential Energy Surfaces

DEFF Research Database (Denmark)

Klinting, Emil Lund; Thomsen, Bo; Godtliebsen, Ian Heide

. This results in a decreased number of single point calculations required during the potential construction. Especially the Morse-like fit-basis functions are of interest, when combined with rectilinear hybrid optimized and localized coordinates (HOLCs), which can be generated as orthogonal transformations......The overall shape of a molecular energy surface can be very different for different molecules and different vibrational coordinates. This means that the fit-basis functions used to generate an analytic representation of a potential will be met with different requirements. It is therefore worthwhile...... single point calculations when constructing the molecular potential. We therefore present a uniform framework that can handle general fit-basis functions of any type which are specified on input. This framework is implemented to suit the black-box nature of the ADGA in order to avoid arbitrary choices...

Validity and reliability of developmental coordination disorder questionnaire-spanish version

Directory of Open Access Journals (Sweden)

Luisa Matilde Salamanca Duque

2013-09-01

Full Text Available The Developmental Coordination Disorder is characterized by difficulties that produce consequences on the psychomotor performance in daily and school activities, and requires early diagnosis. The Developmental Coordination Disorder Questionnaire CTDC is used for its diagnosis.The objective of the study was to determinate the psychometric properties of CTDC. Methodology. Descriptive study and instrument validation, with a sample of 41 children aged between 6 to 12 years old, at school, with the application of the CTDC and the Da Fonseca Psychomotor Battery. The study analyzed internal consistency reliability, and intra-rater and concurrent validity through the two instruments. Results. Positive results were obtained: the reliability for the full internal consistency using Cronbach’s alpha coefficient was 0.92, and the intra-rater reliability using Kappa index was 0.82 with ap<0.001, independent items showed values above 0.5; concurrent validity through the Spearman correlation coefficient Rho was 0.6, with ap<0.01. Conclusions. The CTDC has appropriate and strong psychometric properties for its application and clinical use.

Molecular conformational analysis, vibrational spectra and normal coordinate analysis of trans-1,2-bis(3,5-dimethoxy phenyl)-ethene based on density functional theory calculations.

Science.gov (United States)

Joseph, Lynnette; Sajan, D; Chaitanya, K; Isac, Jayakumary

2014-03-25

The conformational behavior and structural stability of trans-1,2-bis(3,5-dimethoxy phenyl)-ethene (TDBE) were investigated by using density functional theory (DFT) method with the B3LYP/6-311++G(d,p) basis set combination. The vibrational wavenumbers of TDBE were computed at DFT level and complete vibrational assignments were made on the basis of normal coordinate analysis calculations (NCA). The DFT force field transformed to natural internal coordinates was corrected by a well-established set of scale factors that were found to be transferable to the title compound. The infrared and Raman spectra were also predicted from the calculated intensities. The observed Fourier transform infrared (FTIR) and Fourier transform (FT) Raman vibrational wavenumbers were analyzed and compared with the theoretically predicted vibrational spectra. Comparison of the simulated spectra with the experimental spectra provides important information about the ability of the computational method to describe the vibrational modes. Information about the size, shape, charge density distribution and site of chemical reactivity of the molecules has been obtained by mapping electron density isosurface with electrostatic potential surfaces (ESP). Copyright © 2013 Elsevier B.V. All rights reserved.

Coordinate measuring machines

DEFF Research Database (Denmark)

De Chiffre, Leonardo

This document is used in connection with three exercises of 2 hours duration as a part of the course GEOMETRICAL METROLOGY AND MACHINE TESTING. The exercises concern three aspects of coordinate measuring: 1) Measuring and verification of tolerances on coordinate measuring machines, 2) Traceabilit...... and uncertainty during coordinate measurements, 3) Digitalisation and Reverse Engineering. This document contains a short description of each step in the exercise and schemes with room for taking notes of the results.......This document is used in connection with three exercises of 2 hours duration as a part of the course GEOMETRICAL METROLOGY AND MACHINE TESTING. The exercises concern three aspects of coordinate measuring: 1) Measuring and verification of tolerances on coordinate measuring machines, 2) Traceability...

Care coordinators: a controlled evaluation of an inpatient mental health service innovation.

Science.gov (United States)

Stewart, Malcolm W; Wilson, Michael; Bergquist, Karla; Thorburn, John

2012-02-01

The study aimed to evaluate the impact of introducing designated care coordinators into an acute mental health inpatient unit in terms of service delivery, clinical outcomes, and service user and significant other perceptions. A pre-post-controlled design was implemented with a consecutive sample of 292 service users admitted and staying more than 5 days in two wards, with care coordinators introduced in one ward. Data were obtained from clinical records, standard measures, and service user and significant other surveys. Care coordinator input was associated with significant improvements in service delivery and stronger involvement of significant others and community resources. Care-coordinated clients showed significantly better clinical outcomes, including the Health of Nations Outcome Scales behaviour subscale, less time in the intensive care subunit, less community crisis team input in the week following discharge, and lower rates of readmission in the month following discharge. Care-coordinated service users and their significant others gave higher ratings of service delivery, outcome, and satisfaction. The results indicate that designated care coordinators significantly improve care processes, outcomes, and service user experience in acute inpatient mental health settings. © 2011 The Authors. International Journal of Mental Health Nursing © 2011 Australian College of Mental Health Nurses Inc.

International cooperation in the solution to trade-related invasive species risks.

Science.gov (United States)

Perrings, Charles; Burgiel, Stas; Lonsdale, Mark; Mooney, Harold; Williamson, Mark

2010-05-01

In this paper, we consider the factors behind the growth of invasive species as a global problem, and the scope for international cooperation and coordination in addressing that problem. This is limited by the terms of the various international agreements governing trade, health, and biodiversity. The default strategy in most cases has two parts: border protection and the control of or adaptation to introduced species that have escaped detection at the border. Most invasive species policy involves unilateral national defensive action as opposed to coordinated international action. We argue that an important part of the solution to the problem lies in global coordination and cooperation in the management of both pathways and sanitary and phytosanitary risks at all scales. More particularly, because invasive species are an externality of trade, transport, and travel that involve public goods, they require collective regulation of international markets that goes beyond that admitted under the World Trade Organization's (WTO) Agreement on the Application of Sanitary and Phytosanitary Measures. We argue that it is important to bring that agreement into conformity with the International Health Regulations (IHR), and to develop an international mechanism to generate and disseminate information on invasive species risks and their impacts.

Internal and external axial corner flows

Science.gov (United States)

Kutler, P.; Shankar, V.; Anderson, D. A.; Sorenson, R. L.

1975-01-01

The inviscid, internal, and external axial corner flows generated by two intersecting wedges traveling supersonically are obtained by use of a second-order shock-capturing, finite-difference approach. The governing equations are solved iteratively in conical coordinates to yield the complicated wave structure of the internal corner and the simple peripheral shock of the external corner. The numerical results for the internal flows compare favorably with existing experimental data.

Molecular treatment of He/sup +/+H collisions

Energy Technology Data Exchange (ETDEWEB)

Macias, A.; Riera, A.; Yanez, M.

1981-06-01

Total cross sections for the reactions /sup 4/He/sup +/(1s)+H(1s)..-->../sup 4/He/sup +/(1s)+H(2p), /sup 4/He/sup +/(1s) + H(1s)..-->../sup 4/He(1s2p /sup 1,3/P)+H/sup +/ are calculated in an impact-parameter formalism, for collision energies 0.5--30 keV, using a molecular approach. The molecular energies are calculated at large internuclear distances by a configuration-interaction method, and at short distances by a block-diagonalization method. The radial couplings between the molecular wave functions are evaluated exactly, and turn out to depend strongly on the choice of origin of electronic coordinates; as a consequence, the cross sections also depend on this choice. The effect of the anomalous rotational couplings which decrease like R/sup -1/ is shown to be negligible, and a method to integrate them is proposed in the Appendix. Choosing the center of mass as origin of electronic coordinates, we obtain good agreement with experimental data, but we find no a priori reason to favor this choice. As an important conclusion, the main effect of the so-called momentum-transfer problem, which is the origin dependence of the cross sections, is due to the form of the molecular wave functions at short internuclear distances.

Vibrational self-consistent field theory using optimized curvilinear coordinates.

Science.gov (United States)

Bulik, Ireneusz W; Frisch, Michael J; Vaccaro, Patrick H

2017-07-28

A vibrational SCF model is presented in which the functions forming the single-mode functions in the product wavefunction are expressed in terms of internal coordinates and the coordinates used for each mode are optimized variationally. This model involves no approximations to the kinetic energy operator and does not require a Taylor-series expansion of the potential. The non-linear optimization of coordinates is found to give much better product wavefunctions than the limited variations considered in most previous applications of SCF methods to vibrational problems. The approach is tested using published potential energy surfaces for water, ammonia, and formaldehyde. Variational flexibility allowed in the current ansätze results in excellent zero-point energies expressed through single-product states and accurate fundamental transition frequencies realized by short configuration-interaction expansions. Fully variational optimization of single-product states for excited vibrational levels also is discussed. The highlighted methodology constitutes an excellent starting point for more sophisticated treatments, as the bulk characteristics of many-mode coupling are accounted for efficiently in terms of compact wavefunctions (as evident from the accurate prediction of transition frequencies).

Internal rotation of 1-Aryl-3,3-dialkyltriazenes. Comparison of semiempirical molecular orbital calculations with far-infrared, Raman, and NMR spectroscopic results

International Nuclear Information System (INIS)

Panitz, J.C.; Lippert, T.; Wokaun, A.

1994-01-01

PM3 and AM1 semiempirical molecular orbital techniques are used to establish a model for internal rotation about the N 2 -N 3 axis of 1-aryl-3,3-dialkyltriazines. The PM3 method is satisfactory for obtaining agreement between the experimental and calculated results, but the AM1 method has an artifact in the potential energy curve of internal rotation about the N 2 -N 3 axis. 24 refs., 6 figs., 5 tabs

A multi-agent system for coordinating international shipping

Energy Technology Data Exchange (ETDEWEB)

Goldsmith, S.Y.; Phillips, L.R.; Spires, S.V.

1998-05-01

Moving commercial cargo across the US-Mexico border is currently a complex, paper-based, error-prone process that incurs expensive inspections and delays at several ports of entry in the Southwestern US. Improved information handling will dramatically reduce border dwell time, variation in delivery time, and inventories, and will give better control of the shipment process. The Border Trade Facilitation System (BTFS) is an agent-based collaborative work environment that assists geographically distributed commercial and government users with transshipment of goods across the US-Mexico border. Software agents mediate the creation, validation and secure sharing of shipment information and regulatory documentation over the Internet, using the World Wide Web to interface with human actors. Agents are organized into Agencies. Each agency represents a commercial or government agency. Agents perform four specific functions on behalf of their user organizations: (1) agents with domain knowledge elicit commercial and regulatory information from human specialists through forms presented via web browsers; (2) agents mediate information from forms with diverse otologies, copying invariant data from one form to another thereby eliminating the need for duplicate data entry; (3) cohorts of distributed agents coordinate the work flow among the various information providers and they monitor overall progress of the documentation and the location of the shipment to ensure that all regulatory requirements are met prior to arrival at the border; (4) agents provide status information to human actors and attempt to influence them when problems are predicted.

International bulletin on atomic and molecular data for fusion. No. 60

International Nuclear Information System (INIS)

Stephens, J.A.; Bannister, M.E.; Delcroix, J.L.; Fuhr, J.

2001-06-01

This bulletin comprises updated atomic and molecular data for fusion. It includes the Atomic and Molecular Data Information System (AMDIS) of the IAEA. It contains two parts: a bibliographic database for atomic and molecular data for fusion research, and numerical databases of recommended and evaluated atomic, molecular and plasma-surface interaction data. The indexed papers are also listed separately for structure and spectra, atomic and molecular collisions, and surface interactions

Interactive display of molecular models using a microcomputer system

Science.gov (United States)

Egan, J. T.; Macelroy, R. D.

1980-01-01

A simple, microcomputer-based, interactive graphics display system has been developed for the presentation of perspective views of wire frame molecular models. The display system is based on a TERAK 8510a graphics computer system with a display unit consisting of microprocessor, television display and keyboard subsystems. The operating system includes a screen editor, file manager, PASCAL and BASIC compilers and command options for linking and executing programs. The graphics program, written in USCD PASCAL, involves the centering of the coordinate system, the transformation of centered model coordinates into homogeneous coordinates, the construction of a viewing transformation matrix to operate on the coordinates, clipping invisible points, perspective transformation and scaling to screen coordinates; commands available include ZOOM, ROTATE, RESET, and CHANGEVIEW. Data file structure was chosen to minimize the amount of disk storage space. Despite the inherent slowness of the system, its low cost and flexibility suggests general applicability.

International Severe Weather and Flash Flood Hazard Early Warning Systems—Leveraging Coordination, Cooperation, and Partnerships through a Hydrometeorological Project in Southern Africa

Directory of Open Access Journals (Sweden)

Robert Jubach

2016-06-01

Full Text Available Climate, weather and water hazards do not recognize national boundaries. Transboundary/regional programs and cooperation are essential to reduce the loss of lives and damage to livelihoods when facing these hazards. The development and implementation of systems to provide early warnings for severe weather events such as cyclones and flash floods requires data and information sharing in real time, and coordination among the government agencies at all levels. Within a country, this includes local, municipal, provincial-to-national levels as well as regional and international entities involved in hydrometeorological services and Disaster Risk Reduction (DRR. Of key importance are the National Meteorological and Hydrologic Services (NMHSs. The NMHS is generally the authority solely responsible for issuing warnings for these hazards. However, in many regions of the world, the linkages and interfaces between the NMHS and other agencies are weak or non-existent. Therefore, there is a critical need to assess, strengthen, and formalize collaborations when addressing the concept of reducing risk and impacts from severe weather and floods. The U.S. Agency for International Development/Office of U.S. Foreign Disaster Assistance; the United Nations World Meteorological Organization (WMO; the WMO Southern Africa Regional Specialized Meteorological Center, hosted by the South African Weather Service; the U.S. National Oceanic and Atmospheric Administration/National Weather Service and the Hydrologic Research Center (a non-profit corporation are currently implementing a project working with Southern Africa NMHSs on addressing this gap. The project aims to strengthen coordination and collaboration mechanisms from national to local levels. The project partners are working with the NMHSs to apply and implement appropriate tools and infrastructure to enhance currently operational severe weather and flash flood early warning systems in each country in support of

Engineering the oxygen coordination in digital superlattices

Energy Technology Data Exchange (ETDEWEB)

Cook, Seyoung [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Department of Materials Science, Northwestern University, Evanston, Illinois 60202, USA; Andersen, Tassie K. [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Department of Materials Science, Northwestern University, Evanston, Illinois 60202, USA; Hong, Hawoong [X-Ray Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Rosenberg, Richard A. [X-Ray Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA; Marks, Laurence D. [Department of Materials Science, Northwestern University, Evanston, Illinois 60202, USA; Fong, Dillon D. [Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439, USA

2017-12-01

The oxygen sublattice in the complex oxides is typically composed of corner-shared polyhedra, with transition metals at their centers. The electronic and chemical properties of the oxide depend on the type and geometric arrangement of these polyhedra, which can be controlled through epitaxial synthesis. Here, we use oxide molecular beam epitaxy to create SrCoOx:SrTiO3 superlattices with tunable oxygen coordination environments and sublattice geometries. Using soft X-ray spectroscopy, we find that the chemical state of Co can be varied with the polyhedral arrangement, demonstrating a new strategy for achieving unique electronic properties in the transition metal oxides.

RELATIONS BETWEEN ANTHROPOMETRIC CHARACTERISTICS AND COORDINATION IN PEOPLE WITH ABOVE-AVERAGE MOTOR ABILITIES

Directory of Open Access Journals (Sweden)

Milan Cvetković

2011-09-01

Full Text Available The sample of 149 male persons whose average age is 20.15 in decimal years (±0.83, and all of whom are students at the Faculty of Sport and Physical Education, underwent a battery of tests consisting of 17 anthropometric measures taken from the measures index of the International Biological Program and 4 tests designed to assess coordination as follows: Coordination with stick, Hand and leg drumming, Nonrhythmic drumming and Slalom with three balls. One statistically significant canonical correlation was determined by means of the canonical correlation analysis. The isolated canonical correlation from the space of coordination variables, was the one used for assessment of coordination of the whole body – Coordination with stick. On the other hand, out of the variables from the right array, the ones which covered longinality were singled out – Body height and Arm length, circular dimensionality – Circumference of stretched upper arm, Circumference of bent upper arm and Circumference of upper leg, as well as subcutaneous fat tissue – Skin fold of the back.

Investigation of Supramolecular Coordination Self-Assembly and Polymerization Confined on Metal Surfaces Using Scanning Tunneling Microscopy

Science.gov (United States)

Lin, Tao

Organic molecules are envisioned as the building blocks for design and fabrication of functional devices in future, owing to their versatility, low cost and flexibility. Although some devices such as organic light-emitting diode (OLED) have been already applied in our daily lives, the field is still in its infancy and numerous challenges still remain. In particular, fundamental understanding of the process of organic material fabrication at a molecular level is highly desirable. This thesis focuses on the design and fabrication of supramolecular and macromolecular nanostructures on a Au(111) surface through self-assembly, polymerization and a combination of two. We used scanning tunneling microscopy (STM) as an experimental tool and Monte Carlo (MC) and kinetic Monte Carlo (KMC) simulations as theoretical tools to characterize the structures of these systems and to investigate the mechanisms of the self-assembly and polymerization processes at a single-molecular level. The results of this thesis consist of four parts as below: Part I addresses the mechanisms of two-dimensional multicomponent supramolecular self-assembly via pyridyl-Fe-terpyridyl coordination. Firstly, we studied four types of self-assembled metal-organic systems exhibiting different dimensionalities using specifically-designed molecular building blocks. We found that the two-dimensional system is under thermodynamic controls while the systems of lower dimension are under kinetic controls. Secondly, we studied the self-assembly of a series of cyclic supramolecular polygons. Our results indicate that the yield of on-surface cyclic polygon structures is very low independent of temperature and concentration and this phenomenon can be attributed to a subtle competition between kinetic and thermodynamic controls. These results shed light on thermodynamic and kinetic controls in on-surface coordination self-assembly. Part II addresses the two-dimensional supramolecular self-assembly of porphyrin

A CURIous Case of Molecular Kidnapping.

Science.gov (United States)

Rudra, Dipayan; Warner, Jonathan R

2016-11-17

In this issue of Molecular Cell, Albert et al. (2016) demonstrate how the production of rRNA and ribosomal proteins is coordinated through a two-step response to stress that requires cross-talk between a dedicated transcription factor and a ribosome assembly factor. Copyright © 2016 Elsevier Inc. All rights reserved.

Molecular phylogeny of Ranunculaceae based on internal ...

African Journals Online (AJOL)

STORAGESEVER

2009-10-19

Oct 19, 2009 ... evidence regarding the systematic classification of Ranunculaceae plants, we used molecular ... Ranunculaceae is a family of flowering plants known as ... and in the analysis of the evolutionary rate for lower level phylogeny ...

Intracellular coordination of potyviral RNA functions in infection.

Science.gov (United States)

Mäkinen, Kristiina; Hafrén, Anders

2014-01-01

Establishment of an infection cycle requires mechanisms to allocate the genomes of (+)-stranded RNA viruses in a balanced ratio to translation, replication, encapsidation, and movement, as well as mechanisms to prevent translocation of viral RNA (vRNA) to cellular RNA degradation pathways. The ratio of vRNA allocated to various functions is likely balanced by the availability of regulatory proteins or competition of the interaction sites within regulatory ribonucleoprotein complexes. Due to the transient nature of viral processes and the interdependency between vRNA pathways, it is technically demanding to work out the exact molecular mechanisms underlying vRNA regulation. A substantial number of viral and host proteins have been identified that facilitate the steps that lead to the assembly of a functional potyviral RNA replication complex and their fusion with chloroplasts. Simultaneously with on-going viral replication, part of the replicated potyviral RNA enters movement pathways. Although not much is known about the processes of potyviral RNA release from viral replication complexes, the molecular interactions involved in these processes determine the fate of the replicated vRNA. Some viral and host cell proteins have been described that direct replicated potyviral RNA to translation to enable potyviral gene expression and productive infection. The antiviral defense of the cell causes vRNA degradation by RNA silencing. We hypothesize that also plant pathways involved in mRNA decay may have a role in the coordination of potyviral RNA expression. In this review, we discuss the roles of different potyviral and host proteins in the coordination of various potyviral RNA functions.

The committee of scientific expertise coordination

International Nuclear Information System (INIS)

2003-01-01

Placed under the MIES control, the Committee of scientific expertise coordination defines the needs, the contain and the planing of expertises realized in function of Climate national and international decisions and negotiations calendars. The Committee verifies the different expertises and offers the administrations, scientific tools and techniques useful for the negotiations. It can also define long-dated research needs which require the scientific community mobilization. This paper provides some document of the Committee: objectives, operating and priorities of the Committee, scenarios ''Factor 4'' and ''crack technology'', perceptions and practices, developing countries (China, India...), Euromed. (A.L.B.)

Coordinated School Health and the Contribution of a District Wellness Coordinator

Science.gov (United States)

Westrich, Lisa; Sanchez, Monika; Strobel, Karen

2015-01-01

Background: A San Francisco Bay Area school health initiative was established in fall 2010 to improve wellness programs in 4 local school districts using the Coordinated School Health (CSH) model. This study examines the role of district-wide wellness coordinators and the ways in which they contribute to intentional coordination of health and…

The relationship between segmental coordination, agility and physical activity in adolescents

Directory of Open Access Journals (Sweden)

Eliseo García Cantó

2015-06-01

Full Text Available Motor competence (MC may be related to youth physical activity (PA level. In the last few years, MC has been studied as a possible determinant of children PA level, but has not been widely studied in adolescents. To analyze the relationship between MC and PA level 533 adolescents (271 men and 261 women from the southeast of Spain were assessed. To register weekly PA was used the International Physical Activity Questionnaire (IPAQ and for the MC, four coordination tests including throw and catch test, eye-hand and eye-foot coordination tests and agility circuit. Data were analyzed using ANOVA and binary logistic regression. The overall MC is consistently related with PA level. Eye-hand coordination test and the agility test define more accurately the tendency to high PA level. Programs to promote PA and focused on MC should be emphasized from early ages to adolescence.

Synthesis and Guest Recognition of Switchable Pt-Salphen Based Molecular Tweezers

Directory of Open Access Journals (Sweden)

Lorien Benda

2018-04-01

Full Text Available Molecular tweezers are artificial receptors that have an open cavity generated by two recognition units pre-organized by a spacer. Switchable molecular tweezers, using a stimuli-responsive spacer, are particularly appealing as prototypes of the molecular machines that combine mechanical motion and allosteric recognition properties. In this present study, the synthesis of switchable molecular tweezers composed of a central terpyridine unit substituted in 4,4″ positions by two Pt(II-salphen complexes is reported. The terpyridine ligand can be reversibly converted upon Zn(II coordination from a free ‘U’-shaped closed form to a coordinated ‘W’ open form. This new substitution pattern enables a reverse control of the mechanical motion compared to the previously reported 6,6″ substituted terpyridine-based tweezers. Guest binding studies with aromatic guests showed an intercalation of coronene in the cavity created by the Pt-salphen moieties in the closed conformation. The formation of 1:1 host-guest complex was investigated by a combination of NMR studies and DFT calculations.

Comparative international studies of osteoporosis using isotope techniques. Report on the first research co-ordination meeting

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-12-31

Poor bone health is a major public health problem of worldwide concern. It affects all segments of the population, but is particularly important in older people (and, most of all, in post-menopausal women). In view of the fat that the numbers of older people, both in absolute terms and as a fraction of the total population, are increasing practically everywhere, there is little doubt that poor bone health will become a much more widespread and severe problem in coming decades. Earlier in 1994 the International Atomic Energy Agency (henceforth ``the Agency``) started a 5-year Co-ordinated Research Programme (CRP) based on the recommendations of an Advisory Group Meeting (AGM) held in 1992. This CRP currently addresses on particular measure of bone health -bone mineral density (BMD). The main concept underpinning this CRP is the ideal that a major determinant of bone health in later years is peak bone mass. The objective of the Agency`s CRP is to determine the age of peak bone mass in various different study groups and countries, and to investigate how BMD varies with age, sex, ethnicity and geographical origin of the subjects. Information on individual participant`s plans for implementation of the CRP, and progress achieved so far on this and related topics, was presented in each country`s report. Refs, figs, tabs.

Rapid Characterization of Molecular Chemistry, Nutrient Make-Up and Microlocation of Internal Seed Tissue

International Nuclear Information System (INIS)

Yu, P.; Block, H.; Niu, Z.; Doiron, K.

2007-01-01

Wheat differs from corn in biodegradation kinetics and fermentation characteristics. Wheat exhibits a relatively high rate (23% h 01 ) and extent (78% DM) of biodegradation, which can lead to metabolic problems such as acidosis and bloat in ruminants. The objective of this study was to rapidly characterize the molecular chemistry of the internal structure of wheat (cv. AC Barrie) and reveal both its structural chemical make-up and nutrient component matrix by analyzing the intensity and spatial distribution of molecular functional groups within the intact seed using advanced synchrotron-powered Fourier transform infrared (FTIR) microspectroscopy. The experiment was performed at the U2B station of the National Synchrotron Light Source at Brookhaven National Laboratory, New York, USA. The wheat tissue was imaged systematically from the pericarp, seed coat, aleurone layer and endosperm under the peaks at ∼1732 (carbonyl C(double b ond)O ester), 1515 (aromatic compound of lignin), 1650 (amide I), 1025 (non-structural CHO), 1550 (amide II), 1246 (cellulosic material), 1160, 1150, 1080, 930, 860 (all CHO), 3350 (OH and NH stretching), 2928 (CH 2 stretching band) and 2885 cm -1 (CH 3 stretching band). Hierarchical cluster analysis and principal component analysis were applied to analyze the molecular FTIR spectra obtained from the different inherent structures within the intact wheat tissues. The results showed that, with synchrotron-powered FTIR microspectroscopy, images of the molecular chemistry of wheat could be generated at an ultra-spatial resolution. The features of aromatic lignin, structural and non-structural carbohydrates, as well as nutrient make-up and interactions in the seeds, could be revealed. Both principal component analysis and hierarchical cluster analysis methods are conclusive in showing that they can discriminate and classify the different inherent structures within the seed tissue. The wheat exhibited distinguishable differences in the

Molecular Mechanisms of Neuroplasticity: An Expanding Universe.

Science.gov (United States)

Gulyaeva, N V

2017-03-01

Biochemical processes in synapses and other neuronal compartments underlie neuroplasticity (functional and structural alterations in the brain enabling adaptation to the environment, learning, memory, as well as rehabilitation after brain injury). This basic molecular level of brain plasticity covers numerous specific proteins (enzymes, receptors, structural proteins, etc.) participating in many coordinated and interacting signal and metabolic processes, their modulation forming a molecular basis for brain plasticity. The articles in this issue are focused on different "hot points" in the research area of biochemical mechanisms supporting neuroplasticity.

The status of the German AF-program and thoughts toward a nationally and internationally coordinated termination of the program

International Nuclear Information System (INIS)

Thamm, G.

1987-01-01

The activities under the German AF-Program primarily concentrate at present on the establishment of the fabrication technology for LEU fuel elements on the basis of uranium silicide (U 3 Si 2 ). In the meantime, the technical facilities for the individual process steps have been largely provided and, for the major part, have already been integrated into the future series production line. The conversion studies for the German research reactors planned to be converted from HEU to LEU currently aim at determining the operation- and licensing- specific data (in part already available) required primarily for the licensing applications. Such an application has already been filed for the Geesthacht reactors so that it is highly probable that one research reactor in Germany will be converted to LEU operation in 1988. Since there are only about two years left until the official end of the AF-Program, the procedure for terminating the program is being considered at present. Relevant views developed in the past as well as thoughts towards a coordinated procedure for terminating the international RERTR activities will be presented. (Author)

Sub-regional Workshop on Illicit Nuclear Trafficking Information Management and Coordination

International Nuclear Information System (INIS)

2010-01-01

The workshop was organized to; have a comprehensive set of information which effectively supports implementation of the Nuclear Security Plan; understand nuclear security needs on a global scale to identify areas of cooperation between and among the Agency and Member States; determine illicit global trafficking trends and patterns, including theft and other malicious acts involving radioactive material; fully protect sensitive nuclear security information from disclosure; coordinate the nuclear security support programmes of Member States and international organizations with those of the Agency and have effective mechanisms of interaction with other international organizations

Distributed constraint satisfaction for coordinating and integrating a large-scale, heterogenous enterprise

CERN Document Server

Eisenberg, C

2003-01-01

Market forces are continuously driving public and private organisations towards higher productivity, shorter process and production times, and fewer labour hours. To cope with these changes, organisations are adopting new organisational models of coordination and cooperation that increase their flexibility, consistency, efficiency, productivity and profit margins. In this thesis an organisational model of coordination and cooperation is examined using a real life example; the technical integration of a distributed large-scale project of an international physics collaboration. The distributed resource constraint project scheduling problem is modelled and solved with the methods of distributed constraint satisfaction. A distributed local search method, the distributed breakout algorithm (DisBO), is used as the basis for the coordination scheme. The efficiency of the local search method is improved by extending it with an incremental problem solving scheme with variable ordering. The scheme is implemented as cen...

Variationally optimal selection of slow coordinates and reaction coordinates in macromolecular systems

Science.gov (United States)

Noe, Frank

To efficiently simulate and generate understanding from simulations of complex macromolecular systems, the concept of slow collective coordinates or reaction coordinates is of fundamental importance. Here we will introduce variational approaches to approximate the slow coordinates and the reaction coordinates between selected end-states given MD simulations of the macromolecular system and a (possibly large) basis set of candidate coordinates. We will then discuss how to select physically intuitive order paremeters that are good surrogates of this variationally optimal result. These result can be used in order to construct Markov state models or other models of the stationary and kinetics properties, in order to parametrize low-dimensional / coarse-grained model of the dynamics. Deutsche Forschungsgemeinschaft, European Research Council.

Near-Horizon Geodesics for Astrophysical and Idealised Black Holes: Coordinate Velocity and Coordinate Acceleration

Directory of Open Access Journals (Sweden)

Petarpa Boonserm

2018-05-01

Full Text Available Geodesics (by definition have an intrinsic 4-acceleration zero. However, when expressed in terms of coordinates, the coordinate acceleration d 2 x i / d t 2 can very easily be non-zero, and the coordinate velocity d x i / d t can behave unexpectedly. The situation becomes extremely delicate in the near-horizon limit—for both astrophysical and idealised black holes—where an inappropriate choice of coordinates can quite easily lead to significant confusion. We shall carefully explore the relative merits of horizon-penetrating versus horizon-non-penetrating coordinates, arguing that in the near-horizon limit the coordinate acceleration d 2 x i / d t 2 is best interpreted in terms of horizon-penetrating coordinates.

Coordination of plant mitochondrial biogenesis: keeping pace with cellular requirements

Science.gov (United States)

Welchen, Elina; García, Lucila; Mansilla, Natanael; Gonzalez, Daniel H.

2014-01-01

Plant mitochondria are complex organelles that carry out numerous metabolic processes related with the generation of energy for cellular functions and the synthesis and degradation of several compounds. Mitochondria are semiautonomous and dynamic organelles changing in shape, number, and composition depending on tissue or developmental stage. The biogenesis of functional mitochondria requires the coordination of genes present both in the nucleus and the organelle. In addition, due to their central role, all processes held inside mitochondria must be finely coordinated with those in other organelles according to cellular demands. Coordination is achieved by transcriptional control of nuclear genes encoding mitochondrial proteins by specific transcription factors that recognize conserved elements in their promoter regions. In turn, the expression of most of these transcription factors is linked to developmental and environmental cues, according to the availability of nutrients, light–dark cycles, and warning signals generated in response to stress conditions. Among the signals impacting in the expression of nuclear genes, retrograde signals that originate inside mitochondria help to adjust mitochondrial biogenesis to organelle demands. Adding more complexity, several nuclear encoded proteins are dual localized to mitochondria and either chloroplasts or the nucleus. Dual targeting might establish a crosstalk between the nucleus and cell organelles to ensure a fine coordination of cellular activities. In this article, we discuss how the different levels of coordination of mitochondrial biogenesis interconnect to optimize the function of the organelle according to both internal and external demands. PMID:24409193

Coordination of plant mitochondrial biogenesis: keeping pace with cellular requirements.

Directory of Open Access Journals (Sweden)

Elina eWelchen

2014-01-01

Full Text Available Plant mitochondria are complex organelles that carry out numerous metabolic processes related with the generation of energy for cellular functions and the synthesis and degradation of several compounds. Mitochondria are semiautonomous and dynamic organelles changing in shape, number and composition depending on tissue or developmental stage. The biogenesis of functional mitochondria requires the coordination of genes present both in the nucleus and the organelle. In addition, due to their central role, all processes held inside mitochondria must be finely coordinated with those in other organelles according to cellular demands. Coordination is achieved by transcriptional control of nuclear genes encoding mitochondrial proteins by specific transcription factors that recognize conserved elements in their promoter regions. In turn, the expression of most of these transcription factors is linked to developmental and environmental cues, according to the availability of nutrients, light-dark cycles and warning signals generated in response to stress conditions. Among the signals impacting in the expression of nuclear genes, retrograde signals that originate inside mitochondria help to adjust mitochondrial biogenesis to organelle demands. Adding more complexity, several nuclear encoded proteins are dual localized to mitochondria and either chloroplasts or the nucleus. Dual targeting might establish a crosstalk between the nucleus and cell organelles to ensure a fine coordination of cellular activities. In this article, we discuss how the different levels of coordination of mitochondrial biogenesis interconnect to optimize the function of the organelle according to both internal and external demands.

Reaching a Consensus: Terminology and Concepts Used in Coordination and Decision-Making Research.

Science.gov (United States)

Pyritz, Lennart W; King, Andrew J; Sueur, Cédric; Fichtel, Claudia

2011-12-01

Research on coordination and decision-making in humans and nonhuman primates has increased considerably throughout the last decade. However, terminology has been used inconsistently, hampering the broader integration of results from different studies. In this short article, we provide a glossary containing the central terms of coordination and decision-making research. The glossary is based on previous definitions that have been critically revised and annotated by the participants of the symposium "Where next? Coordination and decision-making in primate groups" at the XXIIIth Congress of the International Primatological Society (IPS) in Kyoto, Japan. We discuss a number of conceptual and methodological issues and highlight consequences for their implementation. In summary, we recommend that future studies on coordination and decision-making in animal groups do not use the terms "combined decision" and "democratic/despotic decision-making." This will avoid ambiguity as well as anthropocentric connotations. Further, we demonstrate the importance of 1) taxon-specific definitions of coordination parameters (initiation, leadership, followership, termination), 2) differentiation between coordination research on individual-level process and group-level outcome, 3) analyses of collective action processes including initiation and termination, and 4) operationalization of successful group movements in the field to collect meaningful and comparable data across different species.

Well-Defined Bilayered Molecular Cobrushes with Internal Polyethylene Blocks and ω-Hydroxyl-Functionalized Polyethylene Homobrushes

KAUST Repository

Zhang, Hefeng

2016-02-15

Novel well-defined bilayered molecular cobrushes with internal polyethylene blocks, P(PEcore-b-PScorona) (PE: polyethylene; PS: polystyrene), and ω-hydroxyl-functionalized polyethylene homobrushes, P(PE-OH), were synthesized through the macromonomer strategy. Two main steps were involved in the synthesis of the P(PEcore-b-PScorona) bilayered cobrushes: (i) formation of norbornyl-terminated macromonomer (Nor-PE-b-PS) by esterification of PS-b-PE-OH (combination of anionic polymerization, hydroboration, and polyhomologation) with 5-norbornene-2-carboxylic acid and (ii) ring-opening metathesis polymerization (ROMP) of Nor-PE-b-PS. The synthesis of P(PE-OH) was achieved by (i) hydroboration of tert-butyldimethylsilyl-protected allyl alcohol, followed by polyhomologation of dimethylsulfoxoniun methylide with the formed tri[3-(tert-butyldimethylsilyloxyl)propyl]borane initiator, oxidation/hydrolysis, and esterification of the TBDMS-O-PE-OH with 5-norbornene-2-carboxylic acid to afford the macromonomer TBDMS-O-PE-Nor, and (ii) ROMP of TBDMS-O-PE-Nor, followed by deprotection. Nuclear magnetic resonance spectroscopy (1H and 13C NMR) and high temperature gel permeation chromatography (HT-GPC) were used to characterize all macromonomers/molecular brushes and differential scanning calorimetry (DSC) to study the thermal properties. The molecular brush P(PE-b-PS) showed lower melting point (Tm) and better solubility in toluene than the corresponding macromonomer PS-b-PE-Nor. In the case of homobrushes, the thermal properties were strongly affected by the presence of the PE end-groups. © 2016 American Chemical Society.

Well-Defined Bilayered Molecular Cobrushes with Internal Polyethylene Blocks and ω-Hydroxyl-Functionalized Polyethylene Homobrushes

KAUST Repository

Zhang, Hefeng; Hadjichristidis, Nikolaos

2016-01-01

Novel well-defined bilayered molecular cobrushes with internal polyethylene blocks, P(PEcore-b-PScorona) (PE: polyethylene; PS: polystyrene), and ω-hydroxyl-functionalized polyethylene homobrushes, P(PE-OH), were synthesized through the macromonomer strategy. Two main steps were involved in the synthesis of the P(PEcore-b-PScorona) bilayered cobrushes: (i) formation of norbornyl-terminated macromonomer (Nor-PE-b-PS) by esterification of PS-b-PE-OH (combination of anionic polymerization, hydroboration, and polyhomologation) with 5-norbornene-2-carboxylic acid and (ii) ring-opening metathesis polymerization (ROMP) of Nor-PE-b-PS. The synthesis of P(PE-OH) was achieved by (i) hydroboration of tert-butyldimethylsilyl-protected allyl alcohol, followed by polyhomologation of dimethylsulfoxoniun methylide with the formed tri[3-(tert-butyldimethylsilyloxyl)propyl]borane initiator, oxidation/hydrolysis, and esterification of the TBDMS-O-PE-OH with 5-norbornene-2-carboxylic acid to afford the macromonomer TBDMS-O-PE-Nor, and (ii) ROMP of TBDMS-O-PE-Nor, followed by deprotection. Nuclear magnetic resonance spectroscopy (1H and 13C NMR) and high temperature gel permeation chromatography (HT-GPC) were used to characterize all macromonomers/molecular brushes and differential scanning calorimetry (DSC) to study the thermal properties. The molecular brush P(PE-b-PS) showed lower melting point (Tm) and better solubility in toluene than the corresponding macromonomer PS-b-PE-Nor. In the case of homobrushes, the thermal properties were strongly affected by the presence of the PE end-groups. © 2016 American Chemical Society.

16. meeting of the IFRC Subcommittee on Atomic and Molecular Data for Fusion. Summary report of an IAEA technical meeting

International Nuclear Information System (INIS)

Clark, R.E.H.

2008-11-01

The 16th meeting of the Subcommittee on Atomic and Molecular (A and M) Data for Fusion of the International Fusion Research Council was held on 17-18 April 2008, at the IAEA Headquarters in Vienna, Austria. Activities of the Atomic and Molecular Data Unit for the period 2006-2008 were reviewed, and recommendations were made for the 2010-2011 programme and budget cycle. The discussions, conclusions and recommendations of the Subcommittee meeting are briefly described in this report. Specific recommendations of the Subcommittee from this meeting, as well as the report on the activities of the IAEA Atomic and Molecular Data Unit for the period May 2006 - March 2008, are also included. Of specific concern is the loss of three key personnel early in the upcoming budget cycle, including the A and M Data Unit Head (Dr. R.E.H. Clark), the Section Head for the Nuclear Data Section (Dr. A.L. Nichols), and the Data Unit coordinator for the computational facilities and databases (Dr. D. Humbert). Timely replacements of these key individuals are critical for the continued effective operation of the Atomic and Molecular Data Unit. (author)

Coordination, non-coordination and semi-coordination of perchlorates in the lanthanide adducts Ln (CLO4)3. 6dmba

International Nuclear Information System (INIS)

Tfouni, E.; Giesbrecht, E.

1983-01-01

The coordination or not of the perchlorate anions in the previously reported Ln(CLO 4 ) 3 .6 dmba is discussed. The analysis of the infrared spectral data and molar conductance data indicate that they may be formulated as [Ln(dmba) 6 (CLO 4 )n] (CLO 4 ) sub(3-n), n=0,1,2. The individual compounds may be a mixture of species with different n values and/or pure compounds with semi-coordinated and non-coordinated perchlorates. (Author) [pt

Motor coordination uses external spatial coordinates independent of developmental vision.

Science.gov (United States)

Heed, Tobias; Röder, Brigitte

2014-07-01

The constraints that guide bimanual movement coordination are informative about the processing principles underlying movement planning in humans. For example, symmetry relative to the body midline benefits finger and hand movements independent of hand posture. This symmetry constraint has been interpreted to indicate that movement coordination is guided by a perceptual code. Although it has been assumed implicitly that the perceptual system at the heart of this constraint is vision, this relationship has not been tested. Here, congenitally blind and sighted participants made symmetrical and non-symmetrical (that is, parallel) bimanual tapping and finger oscillation movements. For both groups, symmetrical movements were executed more correctly than parallel movements, independent of anatomical constraints like finger homology and hand posture. For the blind, the reliance on external spatial factors in movement coordination stands in stark contrast to their use of an anatomical reference frame in perceptual processing. Thus, the externally coded symmetry constraint evident in bimanual coordination can develop in the absence of the visual system, suggesting that the visual system is not critical for the establishment of an external-spatial reference frame in movement coordination. Copyright © 2014 Elsevier B.V. All rights reserved.

Coordination Polymers of N, Nʼ-di-(8-Hydroxyquinolinolyl- 5-methyl-N, N-diethyl-1,3-propane diamine (QEPD

Directory of Open Access Journals (Sweden)

Asha D. Patel

2010-01-01

Full Text Available Coordination polymers containing a novel bis(oxine bidentate ligand, namely N,Nʼ-di(8-hydroxyquinolinolyl-5-methyl-N,Nʼ-diethyl-1,3-propane diamine (QEPD have been prepared with the metal ions Zn(II, Cu(II, Ni(II, Co(II and Mn(II. The novel bis-(bidentate ligand was synthesized by condensation of 5-chloromethyl-8-hydroxyquinoline hydrochloride with N,Nʼ-diethyl-1,2- propane diamine in the presence of a base catalyses. All of these coordination polymers and the parent ligand were characterized by elemental analyses, IR spectral and diffuse reflectance spectral studies. The thermal stability and number- average molecular weights (Mn¯ of all of the coordination polymers were determined by thermogravimetric analyses and non-aqueous conductometric titrations, respectively. In addition, all of the coordination polymers have been characterized by their magnetic susceptibilities.

The exploration of Halley's comet - An example of international cooperation

Science.gov (United States)

Rahe, Jurgen H.; Newburn, Ray L., Jr.

1987-01-01

The history of international cooperation in studies of comets started with observations in 1577 and 1680, when Tycho Brahe and Newton, respectively, collected position measurements made in different countries to determine the paths of the comets observed. In the fall of 1979, a worldwide Comet Halley watch was proposed. As a result of international cooperation, Comet Halley was explored during its recent appearance from the ground, earth orbit, Venus orbit, interplanetary space, and from within the comet itself. The various activities in space were coordinated by the ESA, the USSR Intercosmos, the Japanese ISAS, and NASA, through the Inter-Agency Consultative Group. The activities of the ground-based observers were coordinated by the International Halley Watch.

Intracellular coordination of potyviral RNA functions in infection

Directory of Open Access Journals (Sweden)

Kristiina eMäkinen

2014-03-01

Full Text Available Abstract Establishment of an infection cycle requires mechanisms to allocate the genomes of (+-stranded RNA viruses in a balanced ratio to translation, replication, encapsidation, and movement, as well as mechanisms to prevent translocation of viral RNA (vRNA to cellular RNA degradation pathways. The ratio of vRNA allocated to various functions is likely balanced by the availability of regulatory proteins or competition of the interaction sites within regulatory ribonucleoprotein (RNP complexes. Due to the transient nature of viral processes and the interdependency between vRNA pathways, it is technically demanding to work out the exact molecular mechanisms underlying vRNA regulation. A substantial number of viral and host proteins have been identified that facilitate the steps that lead to the assembly of a functional potyviral RNA replication complex and their fusion with chloroplasts. Simultaneously with on-going viral replication, part of the replicated potyviral RNA enters movement pathways. Although not much is known about the processes of potyviral RNA release from viral replication complexes (VRCs, the molecular interactions involved in these processes determine the fate of the replicated vRNA. Some viral and host cell proteins have been described that direct replicated potyviral RNA to translation to enable potyviral gene expression and productive infection. The antiviral defense of the cell causes vRNA degradation by RNA silencing. We hypothesize that also plant pathways involved in mRNA decay may have a role in the coordination of potyviral RNA expression. In this review, we discuss the roles of different potyviral and host proteins in the coordination of various potyviral RNA functions.

Modular assembly of low-dimensional coordination architectures on metal surfaces

International Nuclear Information System (INIS)

Stepanow, Sebastian; Lin, Nian; Barth, Johannes V

2008-01-01

The engineering of highly organized molecular architectures has attracted strong interest because of its potential for novel materials and functional nanoscopic devices. An important factor in the development, integration, and exploitation of such systems is the capability to prepare them on surfaces or in nanostructured environments. Recent advances in supramolecular design on metal substrates provide atomistic insight into the underlying self-assembly processes, mainly by scanning tunneling microscopy observations. This review summarizes progress in noncovalent synthesis strategies under ultra-high vacuum conditions employing metal ions as coordination centers directing the molecular organization. The realized metallosupramolecular compounds and arrays combine the properties of their constituent metal ions and organic ligands, and present several attractive features: their redox, magnetic and spin-state transitions. The presented exemplary molecular level studies elucidate the arrangement of organic adsorbates on metal surfaces, demonstrating the interplay between intermolecular and molecule-substrate interactions that needs to be controlled for the fabrication of low-dimensional structures. The understanding of metallosupramolecular organization and metal-ligand interactions on solid surfaces is important for the control of structure and concomitant function

Tetra-, Penta- and Hexa-Coordinated Transition Metal Complexes Constructed from Coumarin-Containing N2O2 Ligand

Directory of Open Access Journals (Sweden)

Lei Gao

2018-02-01

Full Text Available Three newly designed complexes, [Cu(L]·CHCl3 (1, [Co(L(MeOH]·CHCl3 (2 and [{Ni(L(MeOH(PhCOO}2Ni] (3 a coumarin-containing Salamo-type chelating ligand (H2L have been synthesized and characterized by elemental analyses, IR and UV-VIS spectra, and X-ray crystallography. Complex 1 includes one Cu(II atom, one completely deprotonated (L2− unit and one crystalling chloroform molecule, the Cu(II atom shows a square-planar geometry. Complex 2 includes one Co(II atom, one completely deprotonated (L2− unit, one coordinated methanol molecule and one crystalling chloroform molecule. The Co(II atom is a distorted trigonal-bipyramidal geometry. While complex 3 includes three Ni(II atoms, two completely deprotonated (L2− units, two benzoates and two coordinated methanol molecules. The complexes 1 and 2 are both possess three-dimensional supra-molecular structures by abundant noncovalent interactions. But, complex 3 formed a two-dimensional supra-molecular structure by intra-molecular hydrogen bonds. In addition, the antimicrobial and fluorescence properties of H2L and its complexes 1, 2 and 3 were also investigated.

Molecular Symmetry Analysis of Low-Energy Torsional and Vibrational States in the S_{0} and S_{1} States of p-XYLENE to Interpret the Rempi Spectrum

Science.gov (United States)

Groner, Peter; Gardner, Adrian M.; Tuttle, William Duncan; Wright, Timothy G.

2017-06-01

The electronic transition S_{1} ← S_{0} of p-xylene (pXyl) has been observed by REMPI spectroscopy. Its analysis required a detailed investigation of the molecular symmetry of pXyl whose methyl groups are almost free internal rotors. The molecular symmetry group of pXyl has 72 operators. This group, called [33]D_{2h}, is isomorphic to G_{36}(EM), the double group for ethane and dimethyl acetylene even though it is NOT a double group for pXyl. Loosely speaking, the group symbol, [33]D_{2h}, indicates that is for a molecule with two threefold rotors on a molecular frame with D_{2h} point group symmetry. The transformation properties of the (i) free internal rotor basis functions for the torsional coordinates, (ii) the asymmetric rotor (Wang) basis functions for the Eulerian angles, (iii) nuclear spin functions, (iv) potential function, and (v) transitions dipole moment functions were determined. The forms of the torsional potential in the S_{0} and S_{1} states and the dependence of the first order torsional splittings on the potential coefficients have been obtained. AM Gardner, WD Tuttle, P. Groner, TG Wright, J. Chem. Phys., submitted Dec 2016 P Groner, JR Durig, J. Chem. Phys., 66 (1977) 1856 PR Bunker, P Jensen, Molecular Symmetry and Spectroscopy (1998, NRC Research Press, Ottawa, 2nd ed.)

International Standards to Reduce Emissions from Marine Diesel Engines and Their Fuels

Science.gov (United States)

Overview of EPA coordination with International Maritime Organization including a list of all international regulations and materials related to emissions from marine compression-ignition (diesel) engines.

Monitoring of stability of ASG-EUPOS network coordinates

Science.gov (United States)

Figurski, M.; Szafranek, K.; Wrona, M.

2009-04-01

ASG-EUPOS (Active Geodetic Network - European Position Determination System) is the national system of precise satellite positioning in Poland, which increases a density of regional and global GNSS networks and is widely used by public administration, national institutions, entrepreneurs and citizens (especially surveyors). In near future ASG-EUPOS is to take role of main national network. Control of proper activity of stations and realization of ETRS'89 is a necessity. User of the system needs to be sure that observations quality and coordinates accuracy are high enough. Coordinates of IGS (International GNSS Service) and EPN (European Permanent Network) stations are precisely determined and any changes are monitored all the time. Observations are verified before they are archived in regional and global databases. The same applies to ASG-EUPOS. This paper concerns standardization of GNSS observations from different stations (uniform adjustment), examination of solutions correctness according to IGS and EPN standards and stability of solutions and sites activity

Molecule-Level g-C3N4 Coordinated Transition Metals as a New Class of Electrocatalysts for Oxygen Electrode Reactions

KAUST Repository

Zheng, Yao

2017-02-21

Organometallic complexes with metal-nitrogen/carbon (M-N/C) coordination are the most important alternatives to precious metal catalysts for oxygen reduction and evolution reactions (ORR and OER) in energy conversion devices. Here, we designed and developed a range of molecule-level graphitic carbon nitride (g-C3N4) coordinated transition metals (M-C3N4) as a new generation of M-N/C catalysts for these oxygen electrode reactions. As a proof-of-concept example, we conducted theoretical evaluation and experimental validation on a cobalt-C3N4 catalyst with a desired molecular configuration, which possesses comparable electrocatalytic activity to that of precious metal benchmarks for the ORR and OER in alkaline media. The correlation of experimental and computational results confirms that this high activity originates from the precise M-N2 coordination in the g-C3N4 matrix. Moreover, the reversible ORR/OER activity trend for a wide variety of M-C3N4 complexes has been constructed to provide guidance for the molecular design of this promising class of catalysts.

A Rac1--GDP trimer complex binds zinc with tetrahedral and octahedral coordination, displacing magnesium

Energy Technology Data Exchange (ETDEWEB)

Prehna, G.; Stebbins, C

2007-01-01

The Rho family of small GTPases represent well characterized signaling molecules that regulate many cellular functions such as actin cytoskeletal arrangement and the cell cycle by acting as molecular switches. A Rac1-GDP-Zn complex has been crystallized in space group P3221 and its crystal structure has been solved at 1.9 {angstrom} resolution. These trigonal crystals reveal the unexpected ability of Rac1 to coordinate Zn atoms in a tetrahedral fashion by use of its biologically relevant switch I and switch II regions. Upon coordination of zinc, the switch I region is stabilized in the GDP-bound conformation and contributes to a Rac1 trimer in the asymmetric unit. Zinc coordination causes switch II to adopt a novel conformation with a symmetry-related molecule. Additionally, zinc was found to displace magnesium from its octahedral coordination at switch I, although GDP binding remained stable. This structure represents the first reported Rac1-GDP-Zn complex, which further underscores the conformational flexibility and versatility of the small GTPase switch regions.

A Rac1-GDP Trimer Complex Binds Zinc with Tetrahedral and Octahedral Coordination, Displacing Magnesium

Energy Technology Data Exchange (ETDEWEB)

Prehna,G.; Stebbins, E.

2007-01-01

The Rho family of small GTPases represent well characterized signaling molecules that regulate many cellular functions such as actin cytoskeletal arrangement and the cell cycle by acting as molecular switches. A Rac1-GDP-Zn complex has been crystallized in space group P3{sub 2}21 and its crystal structure has been solved at 1.9 {angstrom} resolution. These trigonal crystals reveal the unexpected ability of Rac1 to coordinate Zn atoms in a tetrahedral fashion by use of its biologically relevant switch I and switch II regions. Upon coordination of zinc, the switch I region is stabilized in the GDP-bound conformation and contributes to a Rac1 trimer in the asymmetric unit. Zinc coordination causes switch II to adopt a novel conformation with a symmetry-related molecule. Additionally, zinc was found to displace magnesium from its octahedral coordination at switch I, although GDP binding remained stable. This structure represents the first reported Rac1-GDP-Zn complex, which further underscores the conformational flexibility and versatility of the small GTPase switch regions.

Toxicity assessment of molecularly targeted drugs incorporated into multiagent chemotherapy regimens for pediatric Acute Lymphocytic Leukemia (ALL): Review from an International Consensus Conference

NARCIS (Netherlands)

T.M. Horton (Terzah); R. Sposto (Richard); P. Brown (Patrick); C.P. Reynolds (Patrick); S.P. Hunger (Stephen); N.J. Winick (Naomi); E.A. Raetz (Elizabeth); W.L. Carroll (William); R.J. Arceci (Robert); M.J. Borowitz (Michael); P.S. Gaynon (Paul); L. Gore (Lia); S. Jeha (Sima); B.J. Maurer (Barry); S.E. Siegel (Stuart); A. Biondi (Andrea); P. Kearns (Pamela); A. Narendran (Aru); L.B. Silverman (Lewis); M.A. Smith (Malcolm); C.M. Zwaan (Christian Michel); J.A. Whitlock (James)

2010-01-01

textabstractOne of the challenges of incorporating molecularly targeted drugs into multi-agent chemotherapy (backbone) regimens is defining dose-limiting toxicities (DLTs) of the targeted agent against the background of toxicities of the backbone regimen. An international panel of 22 pediatric acute

The role of cell cycle in retinal development: cyclin-dependent kinase inhibitors co-ordinate cell-cycle inhibition, cell-fate determination and differentiation in the developing retina.

Science.gov (United States)

Bilitou, Aikaterini; Ohnuma, Shin-ichi

2010-03-01

The mature retina is formed through multi-step developmental processes, including eye field specification, optic vesicle evagination, and cell-fate determination. Co-ordination of these developmental events with cell-proliferative activity is essential to achieve formation of proper retinal structure and function. In particular, the molecular and cellular dynamics of the final cell cycle significantly influence the identity that a cell acquires, since cell fate is largely determined at the final cell cycle for the production of postmitotic cells. This review summarizes our current understanding of the cellular mechanisms that underlie the co-ordination of cell-cycle and cell-fate determination, and also describes a molecular role of cyclin-dependent kinase inhibitors (CDKIs) as co-ordinators of cell-cycle arrest, cell-fate determination and differentiation. Copyright (c) 2010 Wiley-Liss, Inc.

Non-transboundary pollution and the efficiency of international environmental co-operation

International Nuclear Information System (INIS)

Kox, Henk L.M.; Van der Tak, Casper M.

1996-01-01

The standard view is that situations where no transborder environmental externalities occur are most efficiently dealt with by national environmental policies rather than by international co-operation. Though this may be the general case, non-coordinated national policies do not always produce the most efficient international allocation. This paper presents four cases in which the allocative outcome of non-coordinated domestic policy choices can be improved upon by international environmental co-operation. The first case refers to the use of environmental policy as a strategic trade instrument. The other cases refer to the existence of discrete technologies, set-up costs and increasing returns to scale. The form of international environmental co-operation should be adapted to the situation. Formal international agreements between countries are characterised by high transaction costs and may not always be the most efficient form of co-operation

Abstracts of 4. International Workshop on Molecular Beam Epitaxy and Vapour Phase Epitaxy Growth Physics and Technology

International Nuclear Information System (INIS)

2001-01-01

4. International Workshop on Molecular Beam Epitaxy and Vapour Phase Epitaxy Growth Physics and Technology is the periodically held forum for discussion the problems connected with manufacturing of different nanostructures (thin films, quantum wells, quantum dots) needed in microelectronics. Preparation of such materials with desirable optical, electrical and magnetic properties being determined by their chemical composition and crystal structure has been discussed in detail during the workshop sessions. Optimization of crystal growth methods such as VPE and MBE from the view point of obtained material properties has also been extensively discussed

The Coordination of Capital Income and Profit Taxation with Cross-Ownership of Firms

NARCIS (Netherlands)

Huizinga, H.P.; Nielsen, S.B.

1996-01-01

This paper investigates the scope for international coordination of capital income and profit taxation.The paper considers a world of many symmetric countries where public goods are financed by taxes on capital income and on profits.In the open economy, the authorities have at their disposal a

Seventeen-coordinate actinide helium complexes

Energy Technology Data Exchange (ETDEWEB)

Kaltsoyannis, Nikolas [School of Chemistry, The University of Manchester (United Kingdom)

2017-06-12

The geometries and electronic structures of molecular ions featuring He atoms complexed to actinide cations are explored computationally using density functional and coupled cluster theories. A new record coordination number is established, as AcHe{sub 17}{sup 3+}, ThHe{sub 17}{sup 4+}, and PaHe{sub 17}{sup 4+} are all found to be true geometric minima, with the He atoms clearly located in the first shell around the actinide. Analysis of AcHe{sub n}{sup 3+} (n=1-17) using the quantum theory of atoms in molecules (QTAIM) confirms these systems as having closed shell, charge-induced dipole bonding. Excellent correlations (R{sup 2}>0.95) are found between QTAIM metrics (bond critical point electron densities and delocalization indices) and the average Ac-He distances, and also with the incremental He binding energies. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

Evaluation of vertical coordinate and vertical mixing algorithms in the HYbrid-Coordinate Ocean Model (HYCOM)

Science.gov (United States)

Halliwell, George R.

Vertical coordinate and vertical mixing algorithms included in the HYbrid Coordinate Ocean Model (HYCOM) are evaluated in low-resolution climatological simulations of the Atlantic Ocean. The hybrid vertical coordinates are isopycnic in the deep ocean interior, but smoothly transition to level (pressure) coordinates near the ocean surface, to sigma coordinates in shallow water regions, and back again to level coordinates in very shallow water. By comparing simulations to climatology, the best model performance is realized using hybrid coordinates in conjunction with one of the three available differential vertical mixing models: the nonlocal K-Profile Parameterization, the NASA GISS level 2 turbulence closure, and the Mellor-Yamada level 2.5 turbulence closure. Good performance is also achieved using the quasi-slab Price-Weller-Pinkel dynamical instability model. Differences among these simulations are too small relative to other errors and biases to identify the "best" vertical mixing model for low-resolution climate simulations. Model performance deteriorates slightly when the Kraus-Turner slab mixed layer model is used with hybrid coordinates. This deterioration is smallest when solar radiation penetrates beneath the mixed layer and when shear instability mixing is included. A simulation performed using isopycnic coordinates to emulate the Miami Isopycnic Coordinate Ocean Model (MICOM), which uses Kraus-Turner mixing without penetrating shortwave radiation and shear instability mixing, demonstrates that the advantages of switching from isopycnic to hybrid coordinates and including more sophisticated turbulence closures outweigh the negative numerical effects of maintaining hybrid vertical coordinates.

Molecular complexes of tungsten oxotetrachloride with azomethins

International Nuclear Information System (INIS)

Abramenko, Yu.V.; Garnovskij, A.D.; Abramenko, V.A.; Medvedeva, T.E.

1992-01-01

Series of new molecular complexes of tungsten oxotetrachloride with benza- and salicylalimines of equimolar compositions obtained. Substances are studied using element analysis, IR spectroscopy and conductometry. Octahedral structure of complexes with central atom coordination of benzalaniline molecules via azomethin nitrogen atom, and salicylalimines - via carbonyl oxygen atom of quinoid tantometric form of ligand is assumed

Mechanism of supply chain coordination cased on dynamic capability framework-the mediating role of manufacturing capabilities

Directory of Open Access Journals (Sweden)

Tiantian Gao

2014-10-01

Full Text Available Purpose: A critical issue has been absent from the conversation on supply chain coordination: how supply chain coordination influence the enterprise performance. This research proposes a new vision to research the performance mechanism of supply chain coordination capability as a dynamic capability. Manufacturing capabilities are existed as mediating role. Design/methodology/approach: Data from International Manufacturing Strategy Survey in 2009 is used to verify the mediating model by hierarchical regression analysis. Findings: The results show that supply chain coordination impacts the enterprise performance positively and indirect impacts the enterprise performance through quality, cost, flexibility. Research implications: This study presents an overview of the impact of supply chain coordination and manufacturing capabilities on enterprise performance, giving grasp for further research of the relationships that exist between them. Originality/value: This finding integrates insights from previous research in dynamic capability framework and supply chain management into a generalization and extension of the performance mechanism in manufacturing enterprises.

The role of terminations and coordination atoms on the pseudocapacitance of titanium carbonitride monolayers.

Science.gov (United States)

Zhang, Wenqiang; Cheng, Chuan; Fang, Peilin; Tang, Bin; Zhang, Jindou; Huang, Guoming; Cong, Xin; Zhang, Bao; Ji, Xiao; Miao, Ling

2016-02-14

Nowadays, MXenes have received extensive concern as a prominent electrode material of electrochemical capacitors. As two important factors to the capacitance, the influence of the intrinsical terminations (F, O and OH) and coordination atoms (C and N) is investigated using first-principles calculations. According to the density of states aligned with the standard hydrogen electrode, it turns out that a Ti3CNO2 monolayer is proven to show an obvious pseudocapacitive behavior, while the bare, F and OH terminated Ti3CN monolayers may only present electrochemical double layer characters in an aqueous electrolyte. Moreover, the illustration of molecular orbitals over the Fermi level are mainly contributed by the d-orbitals of Ti atoms coordinated with O and N atoms, indicating that the redox pseudocapacitance of the Ti3CNO2 monolayer is promoted by the coordination N atoms. Then the superiority of N bonded Ti atoms in accepting charges can be visualized through the charge population. Further, the larger ratio of C/N in the coordination environment of Ti atoms indicates that more electrons can be stored. Our investigation can give an instructional advice in the MXenes-electrode production.

Free energy from molecular dynamics with multiple constraints

NARCIS (Netherlands)

den Otter, Wouter K.; Briels, Willem J.

2000-01-01

In molecular dynamics simulations of reacting systems, the key step to determining the equilibrium constant and the reaction rate is the calculation of the free energy as a function of the reaction coordinate. Intuitively the derivative of the free energy is equal to the average force needed to

Second meeting of the ITPA Coordinating Committee

International Nuclear Information System (INIS)

Campbell, D.J.; Shimada, M.

2002-01-01

The second meeting of the International Tokamak Physics Activity (ITPA) Coordinating Committee (CC), consisting of representatives from the ITPA participants and the topical physics group chairs and co-chairs was held at GA Technologies, San Diego, USA on 1-2 March 2002. The purpose of the meeting was to review the progress of physics R and D, especially in the high priority research ares, for burning plasma experiments including ITER, and to discuss the plans for pursuing necessary R and D. CC heard reports on the most recent developments in the areas of responsibility of the topical groups

Recent developments at the atomic and molecular data unit of the International Atomic Energy Agency

International Nuclear Information System (INIS)

Clark, R.E.H.; )

2002-01-01

The Atomic and Molecular (A+M) Data Unit of the IAEA main purpose is to establish and maintain databases in support of nuclear fusion energy research. This encompasses a very large number of processes in atomic, molecular, and plasma - material interaction physics. Recent improvements and additions to these databases are presented. A prototype search engine, which searches five different sites for radiative data and two sites for electron impact excitation and ionization data is introduced. It is available at the IAEA, Weizmann Institute and GAPHYOR web sites. Data on erosion materials produced by the Co-ordinated research project (CRP) 'Plasma-interaction induced erosion of fusion reactor materials' was evaluated, fitted to physically realistic forms for angle and energy dependence and the resulting fits were added to the online electronic database. In a CRP on radiative power losses in plasmas, many lenghtly modelling calculations were carried out. In addition to providing the calculated radiated power, effective ionisation and recombination rate coefficients were derived. These data were stored along with the populations of the ion stages as well as the total radiation from each ion stage. Thus, it is possible to use these data to interpolate in temperature and electron density to obtain the radiated power at an arbitrary temperature and density. A preliminary version of a new interface to the bibliographic database at the A+M Data unit was developed, it allows the user to search by author and/or keyword. The resulting references are displayed along with a link to the home page of the journal where possible. A code for calculation electron impact excitation cross sections using the so-called 'average approximation' and a version of the Hartree-Fock atomic structure code were installed in the unit and can be run through an interface at the web page. (nevyjel)

The case for international nuclear co-operation. An IAEA perspective

International Nuclear Information System (INIS)

Klerk, P. de

2001-01-01

In the light of the diminished commitment to the promotion and development of nuclear technologies by governments, and in view of the globalization of major parts of the nuclear sector, international cooperation is becoming increasingly more important. Continued strong cooperation is expected in the areas of nuclear safety and the advanced, development of nuclear power plant projects, the decommissioning of nuclear installations, and in waste management. The broad range of activities this entails for the future also add to the duties and the scope of activities of the International Atomic Energy Agency (IAEA) as one of the main coordinating international institutions. In addition to the Agency's basic duty, i.e. overseeing more than nine hundred nuclear facilities in the non-nuclear weapon states under the non-proliferation scheme, it is mainly coordinating activities which are becoming more and more important in the changing environment. In the research sector alone, 159 projects are currently handled internationally under the 'Coordinated Research Projects' heading. In the interest of making national safety standards compatible, a multi-level international safety system is being developed which is to lay the foundations for decisions about the engineered safeguards design of nuclear plants on the national level which continues to bear responsibility for deciding in matters of safety. This broad range of duties in technology, safety, and oversight will make IAEA an important organization for multilateral cooperation. (orig.) [de

Convergent microRNA actions coordinate neocortical development.

Science.gov (United States)

Barca-Mayo, Olga; De Pietri Tonelli, Davide

2014-08-01

Neocortical development is a complex process that, at the cellular level, involves tight control of self-renewal, cell fate commitment, survival, differentiation and delamination/migration. These processes require, at the molecular level, the precise regulation of intrinsic signaling pathways and extrinsic factors with coordinated action in a spatially and temporally specific manner. Transcriptional regulation plays an important role during corticogenesis; however, microRNAs (miRNAs) are emerging as important post-transcriptional regulators of various aspects of central nervous system development. miRNAs are a class of small, single-stranded noncoding RNA molecules that control the expression of the majority of protein coding genes (i.e., targets). How do different miRNAs achieve precise control of gene networks during neocortical development? Here, we critically review all the miRNA-target interactions validated in vivo, with relevance to the generation and migration of pyramidal-projection glutamatergic neurons, and for the initial formation of cortical layers in the embryonic development of rodent neocortex. In particular, we focus on convergent miRNA actions, which are still a poorly understood layer of complexity in miRNA signaling, but potentially one of the keys to disclosing how miRNAs achieve the precise coordination of complex biological processes such as neocortical development.

Explicitly computing geodetic coordinates from Cartesian coordinates

Science.gov (United States)

Zeng, Huaien

2013-04-01

This paper presents a new form of quartic equation based on Lagrange's extremum law and a Groebner basis under the constraint that the geodetic height is the shortest distance between a given point and the reference ellipsoid. A very explicit and concise formulae of the quartic equation by Ferrari's line is found, which avoids the need of a good starting guess for iterative methods. A new explicit algorithm is then proposed to compute geodetic coordinates from Cartesian coordinates. The convergence region of the algorithm is investigated and the corresponding correct solution is given. Lastly, the algorithm is validated with numerical experiments.

Advancing the education in molecular diagnostics: the IFCC-Initiative "Clinical Molecular Biology Curriculum" (C-CMBC); a ten-year experience.

Science.gov (United States)

Lianidou, Evi; Ahmad-Nejad, Parviz; Ferreira-Gonzalez, Andrea; Izuhara, Kenji; Cremonesi, Laura; Schroeder, Maria-Eugenia; Richter, Karin; Ferrari, Maurizio; Neumaier, Michael

2014-09-25

Molecular techniques are becoming commonplace in the diagnostic laboratory. Their applications influence all major phases of laboratory medicine including predisposition/genetic risk, primary diagnosis, therapy stratification and prognosis. Readily available laboratory hardware and wetware (i.e. consumables and reagents) foster rapid dissemination to countries that are just establishing molecular testing programs. Appropriate skill levels extending beyond the technical procedure are required for analytical and diagnostic proficiency that is mandatory in molecular genetic testing. An international committee (C-CMBC) of the International Federation for Clinical Chemistry (IFCC) was established to disseminate skills in molecular genetic testing in member countries embarking on the respective techniques. We report the ten-year experience with different teaching and workshop formats for beginners in molecular diagnostics. Copyright © 2014 Elsevier B.V. All rights reserved.

Theoretical Prediction of Vibrational Circular Dichroism Spectra of R- Glyceraldehyde, R-Erythrose, and R-Threose. 2. Development of a Procedure to Scale the Force Constant Matrix Expressed in Terms of Internal Coordinates

Science.gov (United States)

1993-11-01

IS PROGRAM NUMBER 1 OF THE COMPLETE VIBRATIONAL PACKAGE. C C BMAT ... WIL.riON B MATRIX ELDEMETS FOR INTERNAL COORDINATES C iVERSIONO JUL 28, 1977) C...MATRIX ISCAN=ISCAN+ 1 IER=O GO TO 30 210 WRITE(6,1120) STOP 1000 FORMAT(20A4/20A4/214) 1010 FORMAT(’l’,20A4,24X.’ BMAT (VERSIONO JUL 28. 1977)’/1X,20A4

Coordination failure caused by sunspots

DEFF Research Database (Denmark)

Beugnot, Julie; Gürgüç, Zeynep; Øvlisen, Frederik Roose

2012-01-01

on the efficient equilibrium, we consider sunspots as a potential reason for coordination failure. We conduct an experiment with a three player 2x2x2 game in which coordination on the efficient equilibrium is easy and should normally occur. In the control session, we find almost perfect coordination on the payoff......-dominant equilibrium, but in the sunspot treatment, dis-coordination is frequent. Sunspots lead to significant inefficiency, and we conclude that sunspots can indeed cause coordination failure....

International bulletin on atomic and molecular data for fusion. No.2

International Nuclear Information System (INIS)

Beaty, E.C.; Katsonis, K.

1977-10-01

This bulletin deals with atomic and molecular data for fusion (spectroscopic data, atomic and molecular collisions, surface effects, ...). Particular emphasis is given to data applicable to Tokamak devices. A bibliography for the most recent data presented in the document is provided. A description of work in progress and ''Data Requests'' in the fusion field are also mentioned. Numerical data on light ion sputtering yields of first wall materials, electron capture and impact ionization for iron ions colliding with molecular hydrogen and charge exchange between multicharged ions and helium, argon, and, atomic or molecular hydrogen are given

Adult congenital heart disease nurse coordination: Essential skills and role in optimizing team-based care a position statement from the International Society for Adult Congenital Heart Disease (ISACHD).

Science.gov (United States)

Sillman, Christina; Morin, Joanne; Thomet, Corina; Barber, Deena; Mizuno, Yoshiko; Yang, Hsiao-Ling; Malpas, Theresa; Flocco, Serena Francesca; Finlay, Clare; Chen, Chi-Wen; Balon, Yvonne; Fernandes, Susan M

2017-02-15

Founded in 1992, the International Society for Adult Congenital Heart Disease (ISACHD) is the leading global organization of professionals dedicated to pursuing excellence in the care of adults with congenital heart disease (CHD) worldwide. Among ISACHD's objectives is to "promote a holistic team-based approach to the care of the adult with CHD that is comprehensive, patient-centered, and interdisciplinary" (http://www.isachd.org). This emphasis on team-based care reflects the fact that adults with CHD constitute a heterogeneous population with a wide spectrum of disease complexity, frequent association with other organ involvement, and varied co-morbidities and psychosocial issues. Recognizing the vital role of the adult CHD (ACHD) nurse coordinator (ACHD-NC) in optimizing team-based care, ISACHD established a task force to elucidate and provide guidance on the roles and responsibilities of the ACHD-NC. Acknowledging that nursing roles can vary widely from region to region based on factors such as credentials, scopes of practice, regulations, and local culture and tradition, an international panel was assembled with experts from North America, Europe, East Asia, and Oceania. The writing committee was tasked with reviewing key aspects of the ACHD-NC's role in team-based ACHD care. The resulting ISACHD position statement addresses the ACHD-NC's role and skills required in organizing, coordinating, and facilitating the care of adults with CHD, holistic assessment of the ACHD patient, patient education and counseling, and support for self-care management and self-advocacy. Crown Copyright © 2016. Published by Elsevier B.V. All rights reserved.

Brønsted acid sites based on penta-coordinated aluminum species

Science.gov (United States)

Wang, Zichun; Jiang, Yijiao; Lafon, Olivier; Trébosc, Julien; Duk Kim, Kyung; Stampfl, Catherine; Baiker, Alfons; Amoureux, Jean-Paul; Huang, Jun

2016-12-01

Zeolites and amorphous silica-alumina (ASA), which both provide Brønsted acid sites (BASs), are the most extensively used solid acid catalysts in the chemical industry. It is widely believed that BASs consist only of tetra-coordinated aluminum sites (AlIV) with bridging OH groups in zeolites or nearby silanols on ASA surfaces. Here we report the direct observation in ASA of a new type of BAS based on penta-coordinated aluminum species (AlV) by 27Al-{1H} dipolar-mediated correlation two-dimensional NMR experiments at high magnetic field under magic-angle spinning. Both BAS-AlIV and -AlV show a similar acidity to protonate probe molecular ammonia. The quantitative evaluation of 1H and 27Al sites demonstrates that BAS-AlV co-exists with BAS-AlIV rather than replaces it, which opens new avenues for strongly enhancing the acidity of these popular solid acids.

Monitoring Resource Utilization in a Health Care Coordination Program.

Science.gov (United States)

Popejoy, Lori L; Jaddoo, Julie; Sherman, Jan; Howk, Christopher; Nguyen, Raymond; Parker, Jerry C

2015-01-01

This initial article describes the development of a health care coordination intervention and documentation system designed using the Agency for Healthcare Research and Quality (AHRQ) Care Coordination Atlas framework for Centers for Medicare & Medicaid-funded innovation project, Leveraging Information Technology to Guide High-Tech, High-Touch Care (LIGHT). The study occurred at an academic medical center that serves 114 counties. Twenty-five registered nurse care managers (NCMs) were hired to work with 137 providers in 10 family community and internal medicine clinics. Patients were allocated into one of the four tiers on the basis of their chronic medical conditions and health care utilization. Using a documentation system on the basis of the AHRQ domains developed for this study, time and touch data were calculated for 8,593 Medicare, Medicaid, or dual-eligible patients. We discovered through the touch and time analysis that the majority of health care coordination activity occurred in the AHRQ domains of communication, assess needs and goals, and facilitate transitions, accounting for 79% of the NCM time and 61% of the touches. As expected, increasing tier levels resulted in increased use of NCM resources. Tier 3 accounted for roughly 16% of the patients and received 159 minutes/member (33% of total minutes), and Tier 4 accounted for 4% of patients and received 316 minutes/member (17% of all minutes). In contrast Tier 2, which did not require routine touches per protocol, had 5,507 patients (64%), and those patients received 5,246 hours of health care coordination, or 57 minutes/member, and took 48% of NCM time. 1. The AHRQ Care Coordination Atlas offered a systematic way to build a documentation system that allowed for the extraction of data that was used to calculate the amount of time and the number of touches that NCMs delivered per member. 2. Using a framework to systematically guide the work of health care coordination helped NCMs to think strategically

Engineering the oxygen coordination in digital superlattices

Science.gov (United States)

Cook, Seyoung; Andersen, Tassie K.; Hong, Hawoong; Rosenberg, Richard A.; Marks, Laurence D.; Fong, Dillon D.

2017-12-01

The oxygen sublattice in complex oxides is typically composed of corner-shared polyhedra, with transition metals at their centers. The electronic and chemical properties of the oxide depend on the type and geometric arrangement of these polyhedra, which can be controlled through epitaxial synthesis. Here, we use oxide molecular beam epitaxy to create SrCoOx:SrTiO3 superlattices with tunable oxygen coordination environments and sublattice geometries. Using synchrotron X-ray scattering in combination with soft X-ray spectroscopy, we find that the chemical state of Co can be varied with the polyhedral arrangement, with higher Co oxidation states increasing the valence band maximum. This work demonstrates a new strategy for engineering unique electronic structures in the transition metal oxides using short-period superlattices.

International Journal of Health Research

African Journals Online (AJOL)

Erah

The International Journal of Health Research is an online international journal ... The journal is devoted to the promotion of health sciences and related disciplines (including medicine, pharmacy, nursing, biotechnology, cell and molecular ...

International bulletin on atomic and molecular data for fusion. No. 49

International Nuclear Information System (INIS)

Botero, J.

1995-06-01

This issue of the bulletin provides atomic and molecular data references relevant to fusion research and technology. In part 1 the indexation of the papers is provided separately for (i) structure and spectra, (ii) atomic and molecular collisions, and (iii) surface interactions. Part 2 contains the bibliographic data for the above-listed topics and brief bibliographic lists for the following topics: (a) fusion research of general interest, (b) high energy laser- and beam-matter interaction, (c) bibliographic and numerical data collections, and (d) interaction of atomic particles with fields. Moreover, the creation of the Atomic and Molecular Data Information System (AMDIS) is announced by the IAEA. AMDIS contains three main parts: the Atomic and Molecular Bibliographic Data System (AMBDAS), the numerical database of recommended and evaluated atomic, molecular and plasma-surface interaction data ALADDIN and an electronic bulletin board with information regarding data needs, meetings and programs of the IAEA Atomic and Molecular Data Unit. AMDIS may be reached via INTERNET. For information on how to access AMDIS, an electronic mail inquiry can be sent (address: ''pms'' followed by the usual ''at'' symbol followed by ''ripcrs01.iaea.or.at'')

Coordination and Convening of the 2016 Arctic Science Summit Week

Energy Technology Data Exchange (ETDEWEB)

Hinzman, Larry D. [Univ. of Alaska, Fairbanks, AK (United States)

2016-11-13

The Arctic Science Summit Week, Arctic Observing Summit, Arctic Council Senior Arctic Officials, Model Arctic Council, and International Arctic Assembly were convened on the campus of the University of Alaska Fairbanks with great productivity and satisfaction of the participants. We were pleased to welcome over 1000 participants from 30 different nations and over 130 different institutions. The organization and execution of these meetings was extensive and complex involving more than 250 coordinators, volunteers and contributors from across Alaska. The participants were enthusiastic in their praise of the content and accomplishments of the meeting, but they were equally happy about the genuine welcome offered to our guests by the people of Alaska. Hosting a complex event such as this summit required an army of supporting services and we were blessed to have volunteers from Fairbanks, North Pole, Anchorage and other communities throughout Alaska helping us meet these needs. This truly was an event hosted by the people of Alaska. The significance of these events cannot be overstated. The US and global communities are finally coming to the realization of the important role that the Arctic plays in international politics, economics, and science. The Arctic has experienced tremendous changes in recent years, offering new opportunities that may be addressed through international collaborations, and serious challenges that must be addressed through active investment, adaptation and national and international coordination. Over 10% of the meeting participants were indigenous peoples, from indigenous organizations or hailed from small remote communities. This is still lower than we had hoped, but it is greater participation than similar meetings have experienced in the past. It is through such engagement that we can attack problems related to the changing environment, stagnant economies, and social ills.

Communications and Public Relations Officer | IDRC - International ...

International Development Research Centre (IDRC) Digital Library (Canada)

Coordinates relations with journalists and the media in general and responds to ... the region's culture and communication capacity, both internally and externally. ... Systematically reviews, with program officers, projects likely to influence the ...

International Aspects of Social Reform in the Interwar Period

OpenAIRE

Douglas Galbi

2004-01-01

The reconstruction of the international order after World War I put great emphasis on social reforms through the International Labor Organization (ILO). Three types of arguments were used to promote social reform. The first asserted that international economic competition meant that social reform had to be coordinated internationally in order to maintain the relative competitiveness of countries. The second proposed that social reform was necessary to preserve the stability of states, and hen...

Advances in Wilms Tumor Treatment and Biology: Progress Through International Collaboration.

Science.gov (United States)

Dome, Jeffrey S; Graf, Norbert; Geller, James I; Fernandez, Conrad V; Mullen, Elizabeth A; Spreafico, Filippo; Van den Heuvel-Eibrink, Marry; Pritchard-Jones, Kathy

2015-09-20

Clinical trials in Wilms tumor (WT) have resulted in overall survival rates of greater than 90%. This achievement is especially remarkable because improvements in disease-specific survival have occurred concurrently with a reduction of therapy for large patient subgroups. However, the outcomes for certain patient subgroups, including those with unfavorable histologic and molecular features, bilateral disease, and recurrent disease, remain well below the benchmark survival rate of 90%. Therapy for WT has been advanced in part by an increasingly complex risk-stratification system based on patient age; tumor stage, histology, and volume; response to chemotherapy; and loss of heterozygosity at chromosomes 1p and 16q. A consequence of this system has been the apportionment of patients into such small subgroups that only collaboration between large international WT study groups will support clinical trials that are sufficiently powered to answer challenging questions that move the field forward. This article gives an overview of the Children's Oncology Group and International Society of Pediatric Oncology approaches to WT and focuses on four subgroups (stage IV, initially inoperable, bilateral, and relapsed WT) for which international collaboration is pressing. In addition, biologic insights resulting from collaborative laboratory research are discussed. A coordinated expansion of international collaboration in both clinical trials and laboratory science will provide real opportunity to improve the treatment and outcomes for children with renal tumors on a global level. © 2015 by American Society of Clinical Oncology.

EphrinB1/EphB3b Coordinate Bidirectional Epithelial-Mesenchymal Interactions Controlling Liver Morphogenesis and Laterality

DEFF Research Database (Denmark)

Cayuso, Jordi; Dzementsei, Aliaksandr; Fischer, Johanna C

2016-01-01

Positioning organs in the body often requires the movement of multiple tissues, yet the molecular and cellular mechanisms coordinating such movements are largely unknown. Here, we show that bidirectional signaling between EphrinB1 and EphB3b coordinates the movements of the hepatic endoderm...... and adjacent lateral plate mesoderm (LPM), resulting in asymmetric positioning of the zebrafish liver. EphrinB1 in hepatoblasts regulates directional migration and mediates interactions with the LPM, where EphB3b controls polarity and movement of the LPM. EphB3b in the LPM concomitantly repels hepatoblasts...

19th Meeting of the IFRC Subcommittee on Atomic and Molecular Data for Fusion. Summary Report of an IAEA Technical Meeting

International Nuclear Information System (INIS)

Braams, Bastiaan J.

2014-07-01

The International Fusion Research Council (IFRC) Subcommittee on Atomic and Molecular Data met at IAEA Headquarters in Vienna on 28-29 April 2014 to review the work of the Atomic and Molecular Data Unit (AMDU) within the Nuclear Data Section. The subcommittee heard presentations on the Unit’s activities in the years 2012 and 2013 and discussed priorities for database development and evaluation, coordinated research projects and other meetings, and presentation on the web and elsewhere of the work of the Unit. The IFRC Subcommittee offers the following specific recommendations. • For Coordinated Research Projects in the area of plasma-material interaction highest priority goes to a CRP on erosion and tritium retention for steel surfaces, with emphasis on the kinds of low- or reduced-activation steels that may be used in a reactor. • In the area of atomic and molecular data it is recommended to initiate a new CRP on data for charge exchange processes related to neutral beams. The main topic of interest will be beam interaction with core plasma, but processes relevant to generation of the beam may also be included. • Data for plasma interaction with liquid metals gallium and tin, certain salts and possibly also aluminium, are needed in order to assess uses of these materials in a reactor environment. For a CRP this topic has lower priority than one on steel surfaces, but it is recommended as a good topic for a Technical Meeting. • The Unit should organize again, in 2014 or early 2015, a large “decennial” meeting on atomic, molecular and plasma-material interaction data for fusion science and technology to bring together fusion scientists users of A+M+PMI data and atomic, molecular and materials scientists data producers. • The Unit has the mission to provide internationally recommended and evaluated data for atomic, molecular and plasma-material interaction process and related materials structure properties for fusion science and technology; this is

The Need for a United Nations Global Counter-Terrorism Coordinator

Directory of Open Access Journals (Sweden)

Howard Stoffer

2013-08-01

Full Text Available The case for a high level United Nations (UN Counter-Terrorism Coordinator position within the UN system has become increasingly urgent in 2013. This need has diluted some Member State reticence to creating a new Assistant Secretary-General position that would supervise and manage the existing counter-terrorism structures in the UN system. A Coordinator would have a basic responsibility to keep track of all of the activities of many formal inter-governmental organisations operating at the international, regional and sub-regional level and would also work closely with national counter-terrorism focal points. In this Policy Brief, Dr. Howard Stoffer reviews the debate among Security Council and Fifth Committee members about the efficacy of establishing a senior UN Global Counter-Terrorism Coordinator. He argues that the creation of such a position could lead to a restructuring of the UN counter-terrorism architecture as well as its funding within the UN budget and among donors. The position would eventually make the UN overall counter-terrorism effort, under the UN Global Counter-Terrorism Strategy, a stronger, more effective and more efficient process with measurable impact on the ground among Member States.

Substrate binding and catalytic mechanism in phospholipase C from Bacillus cereus. a molecular mechanics and molecular dynamics study

DEFF Research Database (Denmark)

da Graça Thrige, D; Buur, J R; Jørgensen, Flemming Steen

1997-01-01

cereus including a docked substrate molecule was subjected to a stepwise molecular mechanics energy minimization. Second, the location of the nucleophilic water molecule in the active site of the fully relaxed enzyme-substrate complex was determined by evaluation of nonbonded interaction energies between...... water molecule was verified during a 100 ps molecular dynamics simulation. During the simulation the substrate undergoes a conformational change, but retains its localization in the active site. The contacts between the enzyme, the substrate, and the nucleophilic water molecule display some fluctuations...... the strong electrostatic interactions in the active site realistically during energy minimization, delocalization of the charges from the three zinc ions was considered. Therefore, quantum mechanics calculations on the zinc ions and the zinc-coordinating residues were carried out prior to the molecular...

Mechanical feedback coordinates cell wall expansion and assembly in yeast mating morphogenesis

Science.gov (United States)

2018-01-01

The shaping of individual cells requires a tight coordination of cell mechanics and growth. However, it is unclear how information about the mechanical state of the wall is relayed to the molecular processes building it, thereby enabling the coordination of cell wall expansion and assembly during morphogenesis. Combining theoretical and experimental approaches, we show that a mechanical feedback coordinating cell wall assembly and expansion is essential to sustain mating projection growth in budding yeast (Saccharomyces cerevisiae). Our theoretical results indicate that the mechanical feedback provided by the Cell Wall Integrity pathway, with cell wall stress sensors Wsc1 and Mid2 increasingly activating membrane-localized cell wall synthases Fks1/2 upon faster cell wall expansion, stabilizes mating projection growth without affecting cell shape. Experimental perturbation of the osmotic pressure and cell wall mechanics, as well as compromising the mechanical feedback through genetic deletion of the stress sensors, leads to cellular phenotypes that support the theoretical predictions. Our results indicate that while the existence of mechanical feedback is essential to stabilize mating projection growth, the shape and size of the cell are insensitive to the feedback. PMID:29346368

Interplant coordination, supply chain integration, and operational performance of a plant in a manufacturing network

DEFF Research Database (Denmark)

Yang, Cheng; Chaudhuri, Atanu; Farooq, Sami

2016-01-01

Purpose The objective of this paper is to investigate the relationships at the level of plant in a manufacturing network, labelled as networked plant in the paper, between (1) inter-plant coordination and operational performance, (2) supply chain integration (SCI) and operational performance......, and (3) inter-plant coordination and SCI. Design/methodology/approach This paper is developed based on the data obtained from the sixth version of International Manufacturing Strategy Survey (IMSS VI). Specifically, this paper uses a subset of the IMSS VI data set from the 606 plants that identified...

The role of internal communication in the company management

Directory of Open Access Journals (Sweden)

Barbara Bielicka

2014-12-01

Full Text Available Importance of communication in company management constantly increases. Internal communication in organization has a special meaning. The effectiveness of internal communication depends on factors such as: • the interpersonal communication between participants, especially on the line: superior - subordinate • psychological factors of participants • situational factors: organizational structure, organizational culture. The author of the lecture analyses the issue of internal communication in terms of participants' attitudes and behaviors of communication: manager - a subordinate employee. Presents the roles that should perform as a manager/leader and effects on the communication situation, when the role is not carried out, attitudes and involvement of employees and the effects for the organization raising from the adoption of an attitude. For internal communication managers and supervisors are responsible. Depending on the type of organizational structure and strategic portfolio there are the possibility to choose an appropriate communication strategy. The communication strategy should be integrated with corporate strategy, which is responsible for coordination and decision making in all areas of activity of the enterprise communication /marketing and public relations/whereas the objective of the reputation of the company. The foundation for effective corporate communication strategy in the area of internal communication with the role compatible with the structure and the identity of the organization. There are four levels to perform this role: • to create consistency in the organization; • to establish coordination; • to agree responsibility; • to chapter roles and responsibilities. Search for a strategy to add more value to the company through consistency, coordination and increase of responsibility seems to be the most appropriate way of action in the area of internal communication.

ACTIVATION OF ACETYLENE BY COORDINATION TO BIS-TRIPHENYLPHOSPHINE COMPLEX OF Pt(0: DFT STUDY

Directory of Open Access Journals (Sweden)

N. N. Gorinchoy

2009-06-01

Full Text Available The present work is devoted to the theoretical study of the activation of the acetylene molecule coordinated in the [Pt(PPh32C2H2] complex. By means of DFT calculations it is shown that the geometrical and electronic characteristics of the C2H2 are essentially changed due to its coordination. The subsequent detailed analysis of the molecular orbitals (MO of the active valence zone of this complex allows one to make important conclusion that this activation is being realized mainly due to the orbital back donation of 5d-electronic density from one of the occupied MOs of the complex [Pt(PPh32] to the unoccupied antibonding π*-MO of C2H2.

Summary Report of an IAEA Technical Meeting on Co-ordination of the International Network of Nuclear Structure and Decay Data Evaluators

International Nuclear Information System (INIS)

Abriola, D.; Dimitriou, P.; Ricard-McCutchan, E.; Tuli, J.K.

2013-08-01

Biennial meetings of the International Network of Nuclear Structure and Decay Data (NSDD) evaluators are held under the auspices of the IAEA. The Network consists of evaluation groups and data service centres in several countries. This Network has the objective of providing up-to-date nuclear structure and decay data for all known nuclides by evaluating all existing experimental data. Data resulting from this international evaluation collaboration are included in the Evaluated Nuclear Structure Data File (ENSDF) and published in the journals Nuclear Physics A and Nuclear Data Sheets (NDS). The results represent the recommended 'best values' for the various nuclear structure and decay data properties. These data and bibliographic details are also available through the World Wide Web, CD-ROM, wall charts of the nuclides, Nuclear Wallet Cards and other such media. The US efforts are coordinated by the Coordinating Committee of the US Nuclear Data Program. The ENSDF master database is maintained by the US National Nuclear Data Centre at Brookhaven National Laboratory, and these data are also available from other distribution centres including the IAEA Nuclear Data Section. Biennial meetings of the Network are sponsored by the IAEA Nuclear Data Section, and have the following objectives: (a) coordination of the work of all centres and groups participating in the compilation, evaluation and dissemination of NSDD; (b) maintenance of and improvements to the standards and rules governing NSDD evaluations; (c) review of the development and common use of computerized systems and databases maintained specifically for this activity. In those meetings detailed studies and discussions are undertaken over a five-day period. This document represents a summary of the Network meeting held at the Kuwait Foundation for the Advancement of Sciences (KFAS), Safat, Kuwait, from 27 to 31 January 2013. Thirty-six nuclear data specialists from seventeen countries attended this meeting to

Summary Report of an IAEA Technical Meeting on Co-ordination of the International Network of Nuclear Structure and Decay Data Evaluators

Energy Technology Data Exchange (ETDEWEB)

Abriola, D.; Dimitriou, P. [IAEA Nuclear Data Section, Vienna (Austria); Ricard-McCutchan, E.; Tuli, J. K. [Brookhaven National Laboratory, Upton, NY (United States)

2013-08-15

Biennial meetings of the International Network of Nuclear Structure and Decay Data (NSDD) evaluators are held under the auspices of the IAEA. The Network consists of evaluation groups and data service centres in several countries. This Network has the objective of providing up-to-date nuclear structure and decay data for all known nuclides by evaluating all existing experimental data. Data resulting from this international evaluation collaboration are included in the Evaluated Nuclear Structure Data File (ENSDF) and published in the journals Nuclear Physics A and Nuclear Data Sheets (NDS). The results represent the recommended 'best values' for the various nuclear structure and decay data properties. These data and bibliographic details are also available through the World Wide Web, CD-ROM, wall charts of the nuclides, Nuclear Wallet Cards and other such media. The US efforts are coordinated by the Coordinating Committee of the US Nuclear Data Program. The ENSDF master database is maintained by the US National Nuclear Data Centre at Brookhaven National Laboratory, and these data are also available from other distribution centres including the IAEA Nuclear Data Section. Biennial meetings of the Network are sponsored by the IAEA Nuclear Data Section, and have the following objectives: (a) coordination of the work of all centres and groups participating in the compilation, evaluation and dissemination of NSDD; (b) maintenance of and improvements to the standards and rules governing NSDD evaluations; (c) review of the development and common use of computerized systems and databases maintained specifically for this activity. In those meetings detailed studies and discussions are undertaken over a five-day period. This document represents a summary of the Network meeting held at the Kuwait Foundation for the Advancement of Sciences (KFAS), Safat, Kuwait, from 27 to 31 January 2013. Thirty-six nuclear data specialists from seventeen countries attended this meeting to

15 years of Spanish participation in the international projects of R and D coal technology coordinated by OCICARBON; 15 Anos de Participacion Espanola en los foros Internacionales de I+D Tecnologico del Carbon coordinados por OCICARBON

Energy Technology Data Exchange (ETDEWEB)

NONE

2001-07-01

As fulfillment of strategy objectives, OCICARBON ( the Spanish Management Association for Coal Research and Development Projects) has maintained a strong link with European and International entities, devoted to coal research and development activities. As consequence of these collaborations, it has been reached uncountable economical and technological benefits, from the projects carried out by Spanish industries and technological entities, under the European Programmes umbrella. In this summary report, it is informed about how the co-ordination of national and international entities, was organised and structured; and the national results, obtained as consequence of the activities carried out by OCICARBON. (Author)

Molecular, crystal, and electronic structure of the cobalt(II) complex with 10-(2-benzothiazolylazo)-9-phenanthrol

Energy Technology Data Exchange (ETDEWEB)

Linko, R. V., E-mail: rlinko@mail.ru [Peoples' Friendship University of Russia (Russian Federation); Sokol, V. I. [Russian Academy of Sciences, Kurnakov Institute of General and Inorganic Chemistry (Russian Federation); Polyanskaya, N. A.; Ryabov, M. A.; Strashnov, P. V.; Davydov, V. V. [Peoples' Friendship University of Russia (Russian Federation); Sergienko, V. S. [Russian Academy of Sciences, Kurnakov Institute of General and Inorganic Chemistry (Russian Federation)

2013-05-15

The reaction of 10-(2-benzothiazolylazo)-9-phenanthrol (HL) with cobalt(II) acetate gives the coordination compound [CoL{sub 2}] {center_dot} CHCl{sub 3} (I). The molecular and crystal structure of I is determined by X-ray diffraction. The coordination polyhedron of the Co atom in complex I is an octahedron. The anion L acts as a tridentate chelating ligand and is coordinated to the Co atom through the phenanthrenequinone O1 atom and the benzothiazole N1 atom of the moieties L and the N3 atom of the azo group to form two five-membered metallocycles. The molecular and electronic structures of the compounds HL, L, and CoL{sub 2} are studied at the density functional theory level. The results of the quantum-chemical calculations are in good agreement with the values determined by X-ray diffraction.

Molecular, crystal, and electronic structure of the cobalt(II) complex with 10-(2-benzothiazolylazo)-9-phenanthrol

International Nuclear Information System (INIS)

Linko, R. V.; Sokol, V. I.; Polyanskaya, N. A.; Ryabov, M. A.; Strashnov, P. V.; Davydov, V. V.; Sergienko, V. S.

2013-01-01

The reaction of 10-(2-benzothiazolylazo)-9-phenanthrol (HL) with cobalt(II) acetate gives the coordination compound [CoL 2 ] · CHCl 3 (I). The molecular and crystal structure of I is determined by X-ray diffraction. The coordination polyhedron of the Co atom in complex I is an octahedron. The anion L acts as a tridentate chelating ligand and is coordinated to the Co atom through the phenanthrenequinone O1 atom and the benzothiazole N1 atom of the moieties L and the N3 atom of the azo group to form two five-membered metallocycles. The molecular and electronic structures of the compounds HL, L, and CoL 2 are studied at the density functional theory level. The results of the quantum-chemical calculations are in good agreement with the values determined by X-ray diffraction.

Development | Page 18 | IDRC - International Development ...

International Development Research Centre (IDRC) Digital Library (Canada)

He is presently the Regional Coordinator of the Research Network on Social ... The end of the Cold War was to usher in a new era of international peace and security. ... Globalization has had a profound effect on North-South relations buthas ...

Coordinated activities on evaluation of collisional data for fusion applications

International Nuclear Information System (INIS)

Chung, H.-K.; Braams, B. J.

2013-01-01

It is the role of the Atomic and Molecular Data Unit of the International Atomic Energy Agency to review progress in the production, compilation and evaluation of atomic, molecular and plasma-surface interaction (AM/PSI) data for the fusion program and to support the development of internationally recommended libraries of AM/PSI data for fusion. In response to increasing requests from the fusion community the Unit has increased its effort to promote the assessment of data quality by organizing a series of meetings on the relevant issues: 1) Error propagation and sensitivity analysis, 2) Current status of evaluated databases, 3) Uncertainty estimates of theoretical data, 4) Experimental data evaluation, 5) Data evaluation methods and semi-empirical fits and 6) Establishment of an evaluators’ network. The discussions and conclusions are summarized here

Parenting Coordination: Applying Clinical Thinking to the Management and Resolution of Post-Divorce Conflict.

Science.gov (United States)

Demby, Steven L

2016-05-01

There is a small but significant number of parents who remain stuck in a high level of conflict with each other after the legal conclusion of their divorce. Exposure to chronically high levels of parental conflict is a strong risk factor negatively affecting both children's short- and long-term adjustment. Parenting coordination is a nonadversarial, child-focused dispute-resolution process designed to help divorced parents contain their conflict to protect children from its negative effect. Parenting coordination is a hybrid role combining different skills and conflict-resolution approaches. In high-conflict divorce, each parent's internalization of relationship patterns constructed from past experiences contributes to the intractable nature of the interparent conflict. A case presentation illustrates how this clinical perspective enhances the parenting coordinator's ability to work with parents to manage and contain their parenting conflicts with each other. © 2016 Wiley Periodicals, Inc.

International bulletin on atomic and molecular data for fusion. No. 63

International Nuclear Information System (INIS)

Humbert, D.; Bannister, M.E.; Bretagne, J.; Fuhr, J.

2004-10-01

This bulletin comprises updated atomic and molecular data for fusion. It contains four parts. In part one the Atomic and Molecular Data Information System (AMDIS) of the IAEA is presented. In part two, the indexed papers are listed separately for structure and spectra, atomic and molecular collisions, and surface interactions. Part three contains the bibliographic data for both indexed and and non-indexed references. The author index (part four) refers to the bibliographic references contained in part three

Reactive scattering theory for molecular transitions in time-dependent fields

International Nuclear Information System (INIS)

Peskin, U.; Miller, W.H.

1995-01-01

A new approach is introduced for computing probabilities of molecular transitions in time-dependent fields. The method is based on the stationary (t,t') representation of the Schroedinger equation and is shown to be equivalent to infinite order time-dependent perturbation theory. Bound-to-bound (i.e., photoexcitation) and bound-to-continuum (i.e., photoreaction) transitions are regarded as reactive collisions with the ''time coordinate'' as the reaction coordinate in an extended Hilbert space. A numerical method based on imposing absorbing boundary conditions for the time coordinate in a discrete variable representation framework is introduced. A single operation of the Green's operator provides all the state-specific transition probabilities as well as partial state-resolved (inclusive) reaction probabilities. Illustrative numerical applications are given for model systems

Charge carrier transport on molecular wire controlled by dipolar species: towards light-driven molecular switch

Czech Academy of Sciences Publication Activity Database

Nešpůrek, Stanislav; Toman, Petr; Sworakowski, J.

438-439, - (2003), s. 268-278 ISSN 0040-6090. [International Conference on Nano- Molecular Electronics /5./. Kobe, 10.12.2002-12.12.2002] R&D Projects: GA AV ČR KSK4050111 Keywords : molecular electronics * polymers * quantum effects Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.598, year: 2003

Luminescent lanthanide coordination polymers

Energy Technology Data Exchange (ETDEWEB)

Ma, L.; Evans, O.R.; Foxman, B.M.; Lin, W.

1999-12-13

One-dimensional lanthanide coordination polymers with the formula Ln(isonicotinate){sub 3}(H{sub 2}O){sub 2} (Ln = Ce, Pr, Nd, Sm, Eu, Tb; 1a-f) were synthesized by treating nitrate or perchlorate salts of Ln(III) with 4-pyridinecarboxaldehyde under hydro(solvo)thermal conditions. Single-crystal and powder X-ray diffraction studies indicate that these lanthanide coordination polymers adopt two different structures. While Ce(III), Pr(III), and Nd(III) complexes adopt a chain structure with alternating Ln-(carboxylate){sub 2}-Ln and Ln-(carboxylate){sub 4}-Ln linkages, Sm(III), Eu(III), and Tb(III) complexes have a doubly carboxylate-bridged infinite-chain structure with one chelating carboxylate group on each metal center. In both structures, the lanthanide centers also bind to two water molecules to yield an eight-coordinate, square antiprismatic geometry. The pyridine nitrogen atoms of the isonicotinate groups do not coordinate to the metal centers in these lanthanide(III) complexes; instead, they direct the formation of Ln(III) coordination polymers via hydrogen bonding with coordinated water molecules. Photoluminescence measurements show that Tb(isonicotinate){sub 3}(H{sub 2}O){sub 2} is highly emissive at room temperature with a quantum yield of {approximately}90%. These results indicate that highly luminescent lanthanide coordination polymers can be assembled using a combination of coordination and hydrogen bonds. Crystal data for 1a: monoclinic space group P2{sub 1}/c, a = 9.712(2) {angstrom}, b = 19.833(4) {angstrom}, c = 11.616(2) {angstrom}, {beta} = 111.89(3){degree}, Z = 4. Crystal data for 1f: monoclinic space group C2/c, a = 20.253(4) {angstrom}, b = 11.584(2) {angstrom}, c = 9.839(2) {angstrom}, {beta} = 115.64(3){degree}, Z = 8.

Synthesis, molecular and crystalline architectures, and properties of ...

Indian Academy of Sciences (India)

The construction1 of coordination compounds of cobalt(II) of different nuclearities is the centre of attrac- tion due to interesting structural and physico-chemical properties.1–5 ... Design SQUID MPMS-XL magnetometer working in the 2–300 K range. ..... Complex 1 adopts a molecular architecture cor- responding to the gross ...

Design of two and three input molecular logic gates using non-Watson-Crick base pairing-based molecular beacons.

Science.gov (United States)

Lin, Jia-Hui; Tseng, Wei-Lung

2014-03-21

This study presents a single, resettable, and sensitive molecular beacon (MB) used to operate molecular-scale logic gates. The MB consists of a random DNA sequence, a fluorophore at the 5'-end, and a quencher at the 3'-end. The presence of Hg(2+), Ag(+), and coralyne promoted the formation of stable T-Hg(2+)-T, C-Ag(+)-C, and A2-coralyne-A2 coordination in the MB probe, respectively, thereby driving its conformational change. The metal ion or small molecule-mediated coordination of mismatched DNA brought the fluorophore and the quencher into close proximity, resulting in collisional quenching of fluorescence between the two organic dyes. Because thiol can bind Hg(2+) and remove it from the T-Hg(2+)-T-based MB, adding thiol to a solution of the T-Hg(2+)-T-based MB allowed the fluorophore and the quencher to be widely separated. A similar phenomenon was observed when replacing Hg(2+) with Ag(+). Because Ag(+) strongly binds to iodide, cyanide, and cysteine, they were capable of removing Ag(+) from the C-Ag(+)-C-based MB, restoring the fluorescence of the MB. Moreover, the fluorescence of the A2-coralyne-A2-based MB could be switched on by adding polyadenosine. Using these analytes as inputs and the MB as a signal transducer, we successfully developed a series of two-input, three-input, and set-reset logic gates at the molecular level.

Electron-nuclear corellations for photoinduced dynamics in molecular dimers

Science.gov (United States)

Kilin, Dmitri S.; Pereversev, Yuryi V.; Prezhdo, Oleg V.

2003-03-01

Ultrafast photoinduced dynamics of electronic excitation in molecular dimers is drastically affected by dynamic reorganization of of inter- and intra- molecular nuclear configuration modelled by quantized nuclear degree of freedom [1]. The dynamics of the electronic population and nuclear coherence is analyzed with help of both numerical solution of the chain of coupled differential equations for mean coordinate, population inversion, electronic-vibrational correlation etc.[2] and by propagating the Gaussian wavepackets in relevant adiabatic potentials. Intriguing results were obtained in the approximation of small energy difference and small change of nuclear equilibrium configuration for excited electronic states. In the limiting case of resonance between electronic states energy difference and frequency of the nuclear mode these results have been justified by comparison to exactly solvable Jaynes-Cummings model. It has been found that the photoinduced processes in dimer are arranged according to their time scales:(i) fast scale of nuclear motion,(ii) intermediate scale of dynamical redistribution of electronic population between excited states as well as growth and dynamics of electronic -nuclear correlation,(iii) slow scale of electronic population approaching to the quasiequilibrium distribution, decay of electronic-nuclear correlation, and diminishing the amplitude of mean coordinate oscillations, accompanied by essential growth of the nuclear coordinate dispersion associated with the overall nuclear wavepacket width. Demonstrated quantum-relaxational features of photoinduced vibronic dinamical processess in molecular dimers are obtained by simple method, applicable to large biological systems with many degrees of freedom. [1] J. A. Cina, D. S. Kilin, T. S. Humble, J. Chem. Phys. (2003) in press. [2] O. V. Prezhdo, J. Chem. Phys. 117, 2995 (2002).

GROWING A COMPANY BY INTERNATIONAL BUSINESS PLANNING

Directory of Open Access Journals (Sweden)

LIVIU NEAMŢU

2014-02-01

Full Text Available This paper seeks to identify an overall plan to coordinate and make effective international development efforts so as to achieve the objectives set in the strategy of firm (corporate business strategy and strategic and operational plans.International Strategy sets out the principles and shows ways due to which the company hopes to have competitive advantages to attract foreign buyers and make full use of the resources available to the firm. As part of the corporate and business strategy of the firm, international strategy must comply with the targets of these strategies by functional and operational adaptation of their international activities.

TECHNICAL COORDINATION

CERN Multimedia

A. Ball

Overview From a technical perspective, CMS has been in “beam operation” state since 6th November. The detector is fully closed with all components operational and the magnetic field is normally at the nominal 3.8T. The UXC cavern is normally closed with the radiation veto set. Access to UXC is now only possible during downtimes of LHC. Such accesses must be carefully planned, documented and carried out in agreement with CMS Technical Coordination, Experimental Area Management, LHC programme coordination and the CCC. Material flow in and out of UXC is now strictly controlled. Access to USC remains possible at any time, although, for safety reasons, it is necessary to register with the shift crew in the control room before going down.It is obligatory for all material leaving UXC to pass through the underground buffer zone for RP scanning, database entry and appropriate labeling for traceability. Technical coordination (notably Stephane Bally and Christoph Schaefer), the shift crew and run ...

Coordination of Conditional Poisson Samples

Directory of Open Access Journals (Sweden)

Grafström Anton

2015-12-01

Full Text Available Sample coordination seeks to maximize or to minimize the overlap of two or more samples. The former is known as positive coordination, and the latter as negative coordination. Positive coordination is mainly used for estimation purposes and to reduce data collection costs. Negative coordination is mainly performed to diminish the response burden of the sampled units. Poisson sampling design with permanent random numbers provides an optimum coordination degree of two or more samples. The size of a Poisson sample is, however, random. Conditional Poisson (CP sampling is a modification of the classical Poisson sampling that produces a fixed-size πps sample. We introduce two methods to coordinate Conditional Poisson samples over time or simultaneously. The first one uses permanent random numbers and the list-sequential implementation of CP sampling. The second method uses a CP sample in the first selection and provides an approximate one in the second selection because the prescribed inclusion probabilities are not respected exactly. The methods are evaluated using the size of the expected sample overlap, and are compared with their competitors using Monte Carlo simulation. The new methods provide a good coordination degree of two samples, close to the performance of Poisson sampling with permanent random numbers.

Keep Meaning in Conversational Coordination

Directory of Open Access Journals (Sweden)

Elena Clare Cuffari

2014-12-01

Full Text Available Coordination is a widely employed term across recent quantitative and qualitative approaches to intersubjectivity, particularly approaches that give embodiment and enaction central explanatory roles. With a focus on linguistic and bodily coordination in conversational contexts, I review the operational meaning of coordination in recent empirical research and related theorizing of embodied intersubjectivity. This discussion articulates what must be involved in treating linguistic meaning as dynamic processes of coordination. The coordination approach presents languaging as a set of dynamic self-organizing processes and actions on multiple timescales and across multiple modalities that come about and work in certain domains (those jointly constructed in social, interactive, high-order sense-making. These processes go beyond meaning at the level that is available to first-person experience. I take one crucial consequence of this to be the ubiquitously moral nature of languaging with others. Languaging coordinates experience, among other levels of behavior and event. Ethical effort is called for by the automatic autonomy-influencing forces of languaging as coordination.

Porphyrin coordination polymer nanospheres and nanorods

Science.gov (United States)

Wang, Zhongchun; Shelnutt, John A.; Medforth, Craig J.

2012-12-04

A porphyrin coordination polymer nanostructure comprising a network of pyridyl porphyrin molecules and coordinating metal ions coordinatively bound through the pyridyl groups. In some embodiments, the porphyrins are metalloporphyrins. A variety of nanostructures are formed by the network polymer, including nanospheres, polygonal nanostructures, nanorods, and nanofibers, depending on a variety of factors including coordination metal ion, porphyrin type, metal of the metalloporphyrin, and degree of agitation during nanostructure formation. Reduction of coordinating metal ions may be used to form metal nanoparticles on the coordination polymer nanostructure.

International Bulletin on Atomic and Molecular Data for Fusion. No. 31

International Nuclear Information System (INIS)

Hughes, J.G.

1985-12-01

This bulletin presents a selected bibliography (363 literature pieces) on atomic and molecular data for fusion. It also gives a list of indexed papers on structure and spectra, atomic and molecular collisions, and surface interactions

Development of a central final repository management for the coordination of the waste for Schacht Konrad from public authorities

International Nuclear Information System (INIS)

Graffunder, Iris; Dominke-Bendix, Carola; Waldek, Achim

2012-01-01

The central final repository management is supposed to fulfill the following tasks: active collaboration of Konrad contract draft, signing of internal contracts and agreements, cooperation contract with GNS, cooperation with coordination authorities, inventory taking of wastes (existing inventory and prognosis) and interim storage capacities of public authorities, development of planning and management software, optimization of the final repository documentation, container management, logistics concept, long-term disposal planning and prognosis, planning and coordination of the annual waste amount, management and documentation of disposed waste allocation, coordination of transport schedules, consulting service for waste obligations (final repository requirements, product control, documentation).

Patterns of horse-rider coordination during endurance race: a dynamical system approach.

Directory of Open Access Journals (Sweden)

Sylvain Viry

Full Text Available In riding, most biomechanical studies have focused on the description of the horse locomotion in unridden condition. In this study, we draw the prospect of how the basic principles established in inter-personal coordination by the theory of Coordination Dynamics may provide a conceptual and methodological framework for understanding the horse-rider coupling. The recent development of mobile technologies allows combined horse and rider recordings during long lasting natural events such as endurance races. Six international horse-rider dyads were thus recorded during a 120 km race by using two tri-axial accelerometers placed on the horses and riders, respectively. The analysis concentrated on their combined vertical displacements. The obtained shapes and angles of Lissajous plots together with values of relative phase between horse and rider displacements at lower reversal point allowed us to characterize four coordination patterns, reflecting the use of two riding techniques per horse's gait (trot and canter. The present study shows that the concepts, methods and tools of self-organizing dynamic system approach offer new directions for understanding horse-rider coordination. The identification of the horse-rider coupling patterns constitutes a firm basis to further study the coalition of multiple constraints that determine their emergence and their dynamics in endurance race.

Analysis of Large Flexible Body Deformation in Multibody Systems Using Absolute Coordinates

Energy Technology Data Exchange (ETDEWEB)

Dombrowski, Stefan von [Institute of Robotics and Mechatronics, German Aerospace Center (DLR) (Germany)], E-mail: stefan.von.dombrowski@dlr.de

2002-11-15

To consider large deformation problems in multibody system simulations a finite element approach, called absolute nodal coordinate.formulation,has been proposed. In this formulation absolute nodal coordinates and their material derivatives are applied to represent both deformation and rigid body motion. The choice of nodal variables allows a fully nonlinear representation of rigid body motion and can provide the exact rigid body inertia in the case of large rotations. The methodology is especially suited for but not limited to modeling of beams, cables and shells in multibody dynamics.This paper summarizes the absolute nodal coordinate formulation for a 3D Euler-Bernoulli beam model, in particular the definition of nodal variables, corresponding generalized elastic and inertia forces and equations of motion. The element stiffness matrix is a nonlinear function of the nodal variables even in the case of linearized strain/displacement relations. Nonlinear strain/displacement relations can be calculated from the global displacements using quadrature formulae.Computational examples are given which demonstrate the capabilities of the applied methodology. Consequences of the choice of shape.functions on the representation of internal forces are discussed. Linearized strain/displacement modeling is compared to the nonlinear approach and significant advantages of the latter, when using the absolute nodal coordinate formulation, are outlined.

Analysis of Large Flexible Body Deformation in Multibody Systems Using Absolute Coordinates

International Nuclear Information System (INIS)

Dombrowski, Stefan von

2002-01-01

To consider large deformation problems in multibody system simulations a finite element approach, called absolute nodal coordinate.formulation,has been proposed. In this formulation absolute nodal coordinates and their material derivatives are applied to represent both deformation and rigid body motion. The choice of nodal variables allows a fully nonlinear representation of rigid body motion and can provide the exact rigid body inertia in the case of large rotations. The methodology is especially suited for but not limited to modeling of beams, cables and shells in multibody dynamics.This paper summarizes the absolute nodal coordinate formulation for a 3D Euler-Bernoulli beam model, in particular the definition of nodal variables, corresponding generalized elastic and inertia forces and equations of motion. The element stiffness matrix is a nonlinear function of the nodal variables even in the case of linearized strain/displacement relations. Nonlinear strain/displacement relations can be calculated from the global displacements using quadrature formulae.Computational examples are given which demonstrate the capabilities of the applied methodology. Consequences of the choice of shape.functions on the representation of internal forces are discussed. Linearized strain/displacement modeling is compared to the nonlinear approach and significant advantages of the latter, when using the absolute nodal coordinate formulation, are outlined

OPEN METHOD OF COORDINATION AND EUROPEAN COOPERATION OPPORTUNITIES

Directory of Open Access Journals (Sweden)

STEGĂROIU CARINA-ELENA

2014-08-01

Full Text Available The theoretical 3-level model used to analyse the Open Method of Coordination belongs to a “rational” view of the international cooperation. Although considered to be a far too simplistic framework to be able to accurately describe a highly complex phenomenon, it does justice to the idea that actors have predetermined preferences in specific areas and they systematically act in order to achieve those priorities within the constraints of an institutional system. According to this hypothesis, the OMC has been analysed by breaking the process down into three stages (i.e. the influence of the internal structure, the intergovernmental negotiation model and the institutional choice. Detailed theories have been used to describe each stage (e.g. neoliberalism, neorealism, neofunctionalism, institutionalism, but also abiding by the overall rational context. In conclusion, these elements will be amassed in order to create a comprehensive explanation of this complex phenomenon.

Bimanual motor coordination controlled by cooperative interactions in intrinsic and extrinsic coordinates.

Science.gov (United States)

Sakurada, Takeshi; Ito, Koji; Gomi, Hiroaki

2016-01-01

Although strong motor coordination in intrinsic muscle coordinates has frequently been reported for bimanual movements, coordination in extrinsic visual coordinates is also crucial in various bimanual tasks. To explore the bimanual coordination mechanisms in terms of the frame of reference, here we characterized implicit bilateral interactions in visuomotor tasks. Visual perturbations (finger-cursor gain change) were applied while participants performed a rhythmic tracking task with both index fingers under an in-phase or anti-phase relationship in extrinsic coordinates. When they corrected the right finger's amplitude, the left finger's amplitude unintentionally also changed [motor interference (MI)], despite the instruction to keep its amplitude constant. Notably, we observed two specificities: one was large MI and low relative-phase variability (PV) under the intrinsic in-phase condition, and the other was large MI and high PV under the extrinsic in-phase condition. Additionally, using a multiple-interaction model, we successfully decomposed MI into intrinsic components caused by motor correction and extrinsic components caused by visual-cursor mismatch of the right finger's movements. This analysis revealed that the central nervous system facilitates MI by combining intrinsic and extrinsic components in the condition with in-phases in both intrinsic and extrinsic coordinates, and that under-additivity of the effects is explained by the brain's preference for the intrinsic interaction over extrinsic interaction. In contrast, the PV was significantly correlated with the intrinsic component, suggesting that the intrinsic interaction dominantly contributed to bimanual movement stabilization. The inconsistent features of MI and PV suggest that the central nervous system regulates multiple levels of bilateral interactions for various bimanual tasks. © 2015 The Authors. European Journal of Neuroscience published by Federation of European Neuroscience Societies and

The international RESPO network

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-12-01

Winrock International, with sponsorship from the Center for Environment of the U.S. Agency for International Development (USAID) and the U.S. Export Council for Renewable Energy (US/ECRE), is building a global network of non-governmental organizations to help catalyze the use of renewable energy technologies for rural energy supply in developing countries. Known as the Renewable Energy Project Support Offices (REPSOs), these in-country facilities are managed by local institutions in coordination with Winrock. REPSOs provide an array of technical and financial support services to help developers identify and evaluate opportunities for renewable energy projects.

[Civilian-military coordination].

Science.gov (United States)

de Montravel, G

2002-01-01

Current humanitarian emergencies create complex, mutidimensional situations that stimulate simultaneous responses from a wide variety of sources including governments, non-governmental organizations (NGO), United Nations agencies, and private individuals. As a result, it has become essential to establish a coherent framework in which each actor can contribute promptly and effectively to the overall effort. This is the role of the United Nations Office for the Coordination of Humanitarian Affairs. Regardless of the circumstances and level of coordination, cooperation and collaboration between humanitarian and military personnel, it is necessary to bear in mind their objectives. The purpose of humanitarian action is to reduce human suffering. The purpose of military intervention is to stop warfare. The author of this article will discuss the three major obstacles to civilian-military coordination (strategic, tactical, and operational). Operations cannot be conducted smoothly and differences cannot be ironed out without mutual respect between the two parties, an explicit definition of their respective duties and responsibilities, a clear understanding of their cultural differences, and the presence of an organization and facilities for coordination and arbitrage by a neutral referee.

Comparative Approach to the Areas of Coordination in the Policies of Bilateral Cooperation

Directory of Open Access Journals (Sweden)

Anna Ayuso

1998-04-01

Full Text Available In the sphere of Cooperation for Development, the term coordination is closely linked to the notion of efficiency, which is understood as the need to obtain the optimum results possible from the limited funds that are available. Two main problems thus emerge for eachdeveloping country to solve: one, how to answer which is pre-eminent —the economic or the political interests and, two, how to cope with its lack of efficiency in managing the whole of contributions received from different sources by way of Cooperation for Development.Although the task of coordinating and determining priorities and designing a particular strategy for development belong to the receptor state, there are three areas of activity in which the donor state shoulders great responsibility: the internal coordination withineach donor country, the bilateral coordination between the donor and receptor nation, and the coordination among donor countries. With respect to the first, common problems exist for which each country tries to find a solution by way of providing answers in line with its priorities and idiosyncrasies, which can then be classified in three thematic blocks: planning, administrative management, and operative management. According the author, it is also possible to identify evolutionary patterns among the donors that indicate tendencieswhich can be contrasted with the principles worked out in the heart of the Committee for Aid for Development in the OCDE.

The method of sections in molecular physics

International Nuclear Information System (INIS)

Natarajan, P.; Zygelman, B.

1993-01-01

In the standard Born-Oppenheimer theory the nuclear wave-function for a bound, rotating, di-atom system is described by the Wigner functions. Unlike the spherical harmonics, the Wigner functions exhibit cusp singularities at the poles of the space-fixed coordinate system. These singularities are identical to the ones encountered in the quantum mechanics treatment of a charged particle under the influence of a magnetic monopole. In the latter case the method of sectional was introduced to eliminate the singularities. The method of sections was also introduced in molecular physics. We discuss here, in detail, their properties and advantage of using this construction in molecular physics

IAEA coordinated research program on the evaluation of solidified high-level radioactive waste products

International Nuclear Information System (INIS)

Grover, J.R.; Schneider, K.J.

1979-01-01

A coordinated research program on the evaluation of solidified high-level radioactive waste products has been active with the IAEA since 1976. The program's objectives are to integrate research and to provide a data bank on an international basis in this subject area. Results and considerations to date are presented

International bulletin on atomic and molecular data for fusion. No. 47

International Nuclear Information System (INIS)

Botero, J.

1993-12-01

This bulletin, published by the IAEA, provides atomic and molecular data references relevant to fusion research and technology. In part I the indexation of the papers is provided separately for (i) structure and spectra, (ii) atomic and molecular collisions, and (iii) surface interactions. Part II contains the bibliographic data for the above-listed topics and for high-energy laser and beam-matter interaction of atomic particles with fields. Also included are sections on atomic and molecular data needs for fusion research and on news about ALADDIN (A Labelled Atomic Data INterface) and evaluated data bases

Vibrational spectra, molecular structure, natural bond orbital, first order hyperpolarizability, thermodynamic analysis and normal coordinate analysis of Salicylaldehyde p-methylphenylthiosemicarbazone by density functional method

Science.gov (United States)

Porchelvi, E. Elamurugu; Muthu, S.

2015-01-01

The thiosemicarbazone compound, Salicylaldehyde p-methylphenylthiosemicarbazone (abbreviated as SMPTSC) was synthesized and characterized by FTIR, FT-Raman and UV. Density functional (DFT) calculations have been carried out for the title compound by performing DFT level of theory using B3LYP/6-31++G(d,p) basis set. The molecular geometry and vibrational frequencies were calculated and compared with the experimental data. The detailed interpretation of the vibrational spectra has been carried out with aid of normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology. The electronic dipole moment (μD) and the first hyperpolarizability (βtot) values of the investigated molecule were computed using density functional theory (DFT/B3LYP) with 6-311++G(d,p) basis set. The stability and charge delocalization of the molecule was studied by natural bond orbital (NBO) analysis. Thearomaticities of the phenyl rings were studied using the standard harmonic oscillator model of aromaticity (HOMA) index. Mulliken population analysis on atomic charges is also calculated. The molecule orbital contributions are studied by density of energy states (DOSs).

International Space Station Earth Observations Working Group

Science.gov (United States)

Stefanov, William L.; Oikawa, Koki

2015-01-01

The multilateral Earth Observations Working Group (EOWG) was chartered in May 2012 in order to improve coordination and collaboration of Earth observing payloads, research, and applications on the International Space Station (ISS). The EOWG derives its authority from the ISS Program Science Forum, and a NASA representative serves as a permanent co-chair. A rotating co-chair position can be occupied by any of the international partners, following concurrence by the other partners; a JAXA representative is the current co-chair. Primary functions of the EOWG include, 1) the exchange of information on plans for payloads, from science and application objectives to instrument development, data collection, distribution and research; 2) recognition and facilitation of opportunities for international collaboration in order to optimize benefits from different instruments; and 3) provide a formal ISS Program interface for collection and application of remotely sensed data collected in response to natural disasters through the International Charter, Space and Major Disasters. Recent examples of EOWG activities include coordination of bilateral data sharing protocols between NASA and TsNIIMash for use of crew time and instruments in support of ATV5 reentry imaging activities; discussion of continued use and support of the Nightpod camera mount system by NASA and ESA; and review and revision of international partner contributions on Earth observations to the ISS Program Benefits to Humanity publication.

International Bulletin on Atomic and Molecular Data for Fusion. No. 28

International Nuclear Information System (INIS)

Hughes, J.G.

1985-03-01

The bulletin presents a selected bibliography (462 literature pieces) on atomic and molecular data relevant to fusion research and technology. It also gives a list of indexed papers, separately on structure and spectra, atomic and molecular collisions, and surface effects

"The molecular basis of aging": the Boehringer Ingelheim Fonds 95th International Titisee Conference.

Science.gov (United States)

Garinis, George A; Patil, Christopher K; Schumacher, Björn

2007-01-01

Nearly 20 years ago, researchers discovered that lifespan can be extended by single-gene mutations in the nematode worm Caenorhabditis elegans. Further studies revealed that the mechanisms governing aging in the smallest organisms have been evolutionarily conserved and may operate in human beings. Since then, the field of biogerontology has expanded considerably, learning from - and contributing to - such disparate fields as cell signaling, metabolism, endocrinology, and a wide range of human diseases including cancer. To date, newly discovered connections and novel interdisciplinary approaches gradually unify what once seemed unrelated observations between seemingly disparate research areas. While this unification is far from complete, several overlapping themes have clearly emerged. At the 95th International Titisee Conference, devoted to "The Molecular Basis of Aging," 60 of the world's pre-eminent biogerontologists shared their most recent findings in the biology of aging, and discussed interdisciplinary connections between diverse fields.

47 CFR 95.1113 - Frequency coordinator.

Science.gov (United States)

2010-10-01

... SERVICES Wireless Medical Telemetry Service (WMTS) General Provisions § 95.1113 Frequency coordinator. (a) The Commission will designate a frequency coordinator(s) to manage the usage of the frequency bands for the operation of medical telemetry devices. (b) The frequency coordinator shall (1) Review and...

Ocean Research - Perspectives from an international Ocean Research Coordination Network

Science.gov (United States)

Pearlman, Jay; Williams, Albert, III

2013-04-01

The need for improved coordination in ocean observations is more urgent now given the issues of climate change, sustainable food sources and increased need for energy. Ocean researchers must work across disciplines to provide policy makers with clear and understandable assessments of the state of the ocean. With advances in technology, not only in observation, but also communication and computer science, we are in a new era where we can answer questions asked over the last 100 years at the time and space scales that are relevant. Programs like GLOBEC moved us forward but we are still challenged by the disciplinary divide. Interdisciplinary problem solving must be addressed not only by the exchange of data between the many sides, but through levels where questions require day-to-day collaboration. A National Science Foundation-funded Research Coordination Network (RCN) is addressing approaches for improving interdisciplinary research capabilities in the ocean sciences. During the last year, the RCN had a working group for Open Data led by John Orcutt, Peter Pissierssens and Albert Williams III. The teams has focused on three areas: 1. Data and Information formats and standards; 2. Data access models (including IPR, business models for open data, data policies,...); 3. Data publishing, data citation. There has been a significant trend toward free and open access to data in the last few years. In 2007, the US announced that Landsat data would be available at no charge. Float data from the US (NDBC), JCOMM and OceanSites offer web-based access. The IODE is developing its Ocean Data Portal giving immediate and free access to ocean data. However, from the aspect of long-term collaborations across communities, this global trend is less robust than might appear at the surface. While there are many standard data formats for data exchange, there is not yet widespread uniformity in their adoption. Use of standard data formats can be encouraged in several ways: sponsors of

Low pressure gas detectors for molecular-ion break up studies

International Nuclear Information System (INIS)

Breskin, A.; Chechik, R.; Zwang, N.

1981-01-01

Two detector systems for Molecular ions like OH + and CH 2 + and like H 2 + and H 3 + were developed and are described. The first detector is installed in a magnetic spectrometer. Both systems are made of various types of gas detectors operating at low pressures. In the study of the Coulomb explosion of molecular ions like OH + , CH 2 + or H 3 + these detectors provide the position and time coordinates of all the fragments of the molecular ion, in coincidence, in order to determine their energy and angular distribution. In the case of molecules containing atoms other than hydrogen, information on the electronic charge state is obtained. (H.K.)

40 CFR 109.6 - Coordination.

Science.gov (United States)

2010-07-01

... 40 Protection of Environment 21 2010-07-01 2010-07-01 false Coordination. 109.6 Section 109.6 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) WATER PROGRAMS CRITERIA FOR STATE, LOCAL AND REGIONAL OIL REMOVAL CONTINGENCY PLANS § 109.6 Coordination. For the purposes of coordination...

Orion infrared nebula/molecular cloud

International Nuclear Information System (INIS)

Zuckerman, B.; Palmer, P.

1975-01-01

Observational and theoretical studies of the Orion Nebula and the associated molecular clouds have greatly increased our understanding of this and other regions in which star formation is taking place. Fundamental questions remain unanswered; and in this Letter we address three of them: (1) the chemical composition of the molecular cloud, (2) its internal motions, and (3) the role of magnetic fields in its evolution. We show that the gas phase chemistry and internal motions in one part of the cloud are distinctly different from those in the rest of the cloud, and two recent estimates of the magnetic field strengths are very uncertain. (auth)

International Network of Nuclear Reaction Data Centres

International Nuclear Information System (INIS)

Otsuka, Naohiko; Dunaeva, Svetlana

2010-11-01

The activities of fourteen nuclear data centres are summarized, and their cooperation under the auspices of the International Atomic Energy Agency is described. Each of the centres provides coverage for different geographical zones and/or specific types of nuclear data, thus together providing a complete service for users worldwide. The International Network of Nuclear Reaction Data Centres (NRDC) was established with the objective of providing nuclear physics databases that are required for nuclear technology (encompassing energy and non-energy applications) by coordinating the collection, compilation and dissemination of nuclear data on an international scale. (author)

NASA's Internal Space Weather Working Group

Science.gov (United States)

St. Cyr, O. C.; Guhathakurta, M.; Bell, H.; Niemeyer, L.; Allen, J.

2011-01-01

Measurements from many of NASA's scientific spacecraft are used routinely by space weather forecasters, both in the U.S. and internationally. ACE, SOHO (an ESA/NASA collaboration), STEREO, and SDO provide images and in situ measurements that are assimilated into models and cited in alerts and warnings. A number of years ago, the Space Weather laboratory was established at NASA-Goddard, along with the Community Coordinated Modeling Center. Within that organization, a space weather service center has begun issuing alerts for NASA's operational users. NASA's operational user community includes flight operations for human and robotic explorers; atmospheric drag concerns for low-Earth orbit; interplanetary navigation and communication; and the fleet of unmanned aerial vehicles, high altitude aircraft, and launch vehicles. Over the past three years we have identified internal stakeholders within NASA and formed a Working Group to better coordinate their expertise and their needs. In this presentation we will describe this activity and some of the challenges in forming a diverse working group.

Multipole structure and coordinate systems

International Nuclear Information System (INIS)

Burko, Lior M

2007-01-01

Multipole expansions depend on the coordinate system, so that coefficients of multipole moments can be set equal to zero by an appropriate choice of coordinates. Therefore, it is meaningless to say that a physical system has a nonvanishing quadrupole moment, say, without specifying which coordinate system is used. (Except if this moment is the lowest non-vanishing one.) This result is demonstrated for the case of two equal like electric charges. Specifically, an adapted coordinate system in which the potential is given by a monopole term only is explicitly found, the coefficients of all higher multipoles vanish identically. It is suggested that this result can be generalized to other potential problems, by making equal coordinate surfaces adapt to the potential problem's equipotential surfaces

Problems relating to international transport of nuclear fuels

International Nuclear Information System (INIS)

Timm, U.E.

1985-01-01

Owing to the tremendous geographic distances between uranium deposits of interest, to the various degrees of sophistication of nuclear industry in industrialized countries and to the close international cooperation in the field of nuclear energy, safe international transports, physical protection and transport handling play an important role. It is suggested to better coordinate the activities of nuclear power plant operators, the nuclear industry and specialized transport companies with respect to all national and international issues of nuclear fuel transports. (DG) [de

Possibility of extending space-time coordinates

International Nuclear Information System (INIS)

Wang Yongcheng.

1993-11-01

It has been shown that one coordinate system can describe a whole space-time region except some supersurfaces on which there are coordinate singularities. The conditions of extending a coordinate from real field to complex field are studied. It has been shown that many-valued coordinate transformations may help us to extend space-time regions and many-valued metric functions may make one coordinate region to describe more than one space-time regions. (author). 11 refs

Computational evaluation of sub-nanometer cluster activity of singly exposed copper atom with various coordinative environment in catalytic CO{sub 2} transformation

Energy Technology Data Exchange (ETDEWEB)

Shanmugam, Ramasamy [Department of Chemistry, Thiagarajar College, Madurai, Tamilnadu 625 009 (India); National Center for Catalysis Research, Indian Institute of Technology Madras, Chennai, Tamilnadu 600 036 (India); Thamaraichelvan, Arunachalam [Faculty of Allied Health Sciences, Chettinad Hospital & Research Institute, Kelambakkam, Tamilnadu 603 103 (India); Ganesan, Tharumeya Kuppusamy [Department of Chemistry, The American College, Madurai, Tamilnadu 625 002 (India); Viswanathan, Balasubramanian, E-mail: bvnathan@iitm.ac.in [National Center for Catalysis Research, Indian Institute of Technology Madras, Chennai, Tamilnadu 600 036 (India)

2017-02-28

Highlights: • On interaction with adsorbate CO{sub 2,} the adsorbent changes its configuration around the metal. • Electron transfer is faster in low coordinative environment of Cu. • CO formation is more favorable on Cu sites with even coordination number. • Cu at coordination number two has a over potential of −0.35 V. - Abstract: Metal cluster, at sub-nanometer level has a unique property in the activation of small molecules, in contrast to that of bulk surface. In the present work, singly exposed active site of copper metal cluster at sub-nanometer level was designed to arrive at the energy minimised configurations, binding energy, electrostatic potential map, frontier molecular orbitals and partial density of states. The ab initio molecular dynamics was carried out to probe the catalytic nature of the cluster. Further, the stability of the metal cluster and its catalytic activity in the electrochemical reduction of CO{sub 2} to CO were evaluated by means of computational hydrogen electrode via calculation of the free energy profile using DFT/B3LYP level of theory in vacuum. The activity of the cluster is ascertained from the fact that the copper atom, present in a two coordinative environment, performs a more selective conversion of CO{sub 2} to CO at an applied potential of −0.35 V which is comparatively lower than that of higher coordinative sites. The present study helps to design any sub-nano level metal catalyst for electrochemical reduction of CO{sub 2} to various value added chemicals.

Advancing toward far-infrared interferometry in space through coordinated international efforts

NARCIS (Netherlands)

Leisawitz, D.; Baryshev, A.; Griffin, M. J.; Helmich, F. P.; Ivison, R. J.; Rinehart, S. A.; Savini, G.; Shibai, H.

2013-01-01

The international far-infrared astrophysics community is eager to follow up Spitzer and Herschel observations with sensitive, high-resolution imaging and spectroscopy, for such measurements are needed to understand merger-driven star formation, Active Galactic Nuclei, chemical enrichment in

A framework of manufacturer-retailer coordination process

DEFF Research Database (Denmark)

Wong, Chee Yew; Johansen, John

2008-01-01

Purpose - Triggered by perceived inefficiency and inequality, buyers and suppliers coordinate with each other. The purpose of this paper is to develop a framework of coordination process based on theoretical review and verifications from three case studies. Design/methodology/approach - The appro......Purpose - Triggered by perceived inefficiency and inequality, buyers and suppliers coordinate with each other. The purpose of this paper is to develop a framework of coordination process based on theoretical review and verifications from three case studies. Design...... there was disagreement. Third, closer mode of coordination, which involved joint evaluation and derivation of coordination solutions, reduced the numbers of iterative coordination cycles. These empirical findings verified the presupposed framework of coordination process. Research limitations/implications - Three...... qualitative case studies may not be highly generalisable and multiple dyadic coordination processes may occur. However, the findings form a foundation for further understanding of the coordination process. Originality/value - The proposed framework of the coordination process further expands the theories...

INTERNAL MOBILITY OPPORTUNITIES IN THE CONTEXT OF INCREASING FOCUS ON LHC

CERN Document Server

2002-01-01

Reminder: As announced in Weekly Bulletins 24 & 25/2002 last June, staff members holding an indefinite contract are invited to apply for a first set of vacancies in LHC Division, for which descriptions and requirements are displayed on the HR Division Web site together with a summary of the Internal Mobility procedure. Confidential enquiries may be addressed to the Internal Mobility Coordinator, R. Rayson/HR (tel. 72808 / email: rob.rayson@cern.ch), to the respective HR Coordinator or the contact person in the requesting Division, as indicated in the internal vacancy publications. All enquiries will be treated in strictest confidence until the staff member has decided to make a formal application for a published vacancy. Wherever appropriate, transition arrangements including formal or on-the-job training will be provided for selected candidates.

29 CFR 42.8 - Coordination plan.

Science.gov (United States)

2010-07-01

... 29 Labor 1 2010-07-01 2010-07-01 true Coordination plan. 42.8 Section 42.8 Labor Office of the Secretary of Labor COORDINATED ENFORCEMENT § 42.8 Coordination plan. (a) Based upon, among other things, the... coordination plan concerning farm labor-related responsibilities of the Department, including migrant housing...

Coordination of nuclear developments in the Asia-Pacific region

International Nuclear Information System (INIS)

Wakabayashi, H.; An, S.

1984-01-01

Healthy, coordinated development of nuclear energy in the Asia-Pacific region requires the securing of human resources. This is an important component of development and should be well designed in advance, notwithstanding the fact that each country and area has its own unique system for nuclear research, education, and training. Differences are even more pronounced where preparedness for nuclear abnormal occurrences are concerned, despite the international impact of such incidents. From this point of view, we examine the current situation in international education and training of nuclear specialists, encompassing nuclear education and training systems, IAEA efforts, bilateral and multilateral transregional cooperation, and matters relating to national and transnational preparedness for nuclear abnormal occurrences. We present a proposal to create a regional center that would establish cooperation in nuclear research, education, training, and preparedness for abnormal occurrences. (author)

Theory of piezoelectricity, electrostriction, and pyroelectricity in molecular crystals.

Science.gov (United States)

Munn, R W

2010-03-14

A microscopic theory is presented for piezoelectricity, electrostriction, and pyroelectricity in molecular crystals. The required coefficients are derived by combining a theoretical treatment of the dependence of molecular dipole moments on molecular displacement and a generalized elastic theory for internal strain.

Vaidya spacetime in the diagonal coordinates

Energy Technology Data Exchange (ETDEWEB)

Berezin, V. A., E-mail: berezin@inr.ac.ru; Dokuchaev, V. I., E-mail: dokuchaev@inr.ac.ru; Eroshenko, Yu. N., E-mail: eroshenko@inr.ac.ru [Russian Academy of Sciences, Institute for Nuclear Research (Russian Federation)

2017-03-15

We have analyzed the transformation from initial coordinates (v, r) of the Vaidya metric with light coordinate v to the most physical diagonal coordinates (t, r). An exact solution has been obtained for the corresponding metric tensor in the case of a linear dependence of the mass function of the Vaidya metric on light coordinate v. In the diagonal coordinates, a narrow region (with a width proportional to the mass growth rate of a black hole) has been detected near the visibility horizon of the Vaidya accreting black hole, in which the metric differs qualitatively from the Schwarzschild metric and cannot be represented as a small perturbation. It has been shown that, in this case, a single set of diagonal coordinates (t, r) is insufficient to cover the entire range of initial coordinates (v, r) outside the visibility horizon; at least three sets of diagonal coordinates are required, the domains of which are separated by singular surfaces on which the metric components have singularities (either g{sub 00} = 0 or g{sub 00} = ∞). The energy–momentum tensor diverges on these surfaces; however, the tidal forces turn out to be finite, which follows from an analysis of the deviation equations for geodesics. Therefore, these singular surfaces are exclusively coordinate singularities that can be referred to as false fire-walls because there are no physical singularities on them. We have also considered the transformation from the initial coordinates to other diagonal coordinates (η, y), in which the solution is obtained in explicit form, and there is no energy–momentum tensor divergence.

The International Humanitarian Response to the Refugee Crisis Along the Balkan Route in the View of Strategies of International Organizations

Directory of Open Access Journals (Sweden)

Latifi Veton

2017-06-01

Full Text Available Being one of the largest movements of displaced people through European borders since World War Two, the Syrian refugee crisis of 2015 and 2016, tested the coordination of the states and international organizations, and as well as the strategies for response of the latter to such enormous fluxes of displaced people along the Balkan corridor. The quick on-time reaction of the specialized humanitarian international organizations made significant achievements by the international organizations in terms of humanitarian assistance for the refugees and support for the governments of the region. Their approach mainly sought to create a partnership with the governments of the Balkan route in handling the serious humanitarian challenges (with a different strategy compared to other experiences, mainly this time through providing assistance and protection to the refugees throughout the corridor of the refugee crisis, it showed how important is such coordination at the end, with an aim to avoid further human catastrophes along refugee routes, and to avoid major security repercussions for the countries of the region.

Synthesis, characterization and properties of a glycol-coordinated ε-Keggin-type Al13 chloride

KAUST Repository

Gu, Bin; Sun, Chenglin; Fettinger, James C.; Casey, William H.; Dikhtiarenko, Alla; Gascon, Jorge; Koichumanova, Kamila; Babu Sai Sankar Gupta, Karthick; Jan Heeres, Hero; He, Songbo

2018-01-01

Herein we present the first example of a glycol-coordinated ε-Keggin Al13 chloride (gl-ε-Al13), which is the first chelated version since discovery of Al13 in 1960. The molecular structure consists of [AlO4Al12(OH)12(OC2H4OH)12]Cl7·H2O units with chelating mono-anionic ethylene glycol units replacing one bridging and one terminal oxygen site.

Synthesis, characterization and properties of a glycol-coordinated ε-Keggin-type Al13 chloride

KAUST Repository

Gu, Bin

2018-03-29

Herein we present the first example of a glycol-coordinated ε-Keggin Al13 chloride (gl-ε-Al13), which is the first chelated version since discovery of Al13 in 1960. The molecular structure consists of [AlO4Al12(OH)12(OC2H4OH)12]Cl7·H2O units with chelating mono-anionic ethylene glycol units replacing one bridging and one terminal oxygen site.

PENGARUH KOMUNIKASI, KOORDINASI, USAHA DAN KESETARAAN KONTRIBUSI TERHADAP EFEKTIVITAS AUDIT INTERNAL PEMERINTAH

OpenAIRE

GUSRAYANTI KARTA, RIA

2017-01-01

2017 ABSTRAK Pengaruh Komunikasi, Koordinasi, Usaha dan Kesetaraan Kontribusi terhadap Efektivitas Audit Internal Pemerintah Effect of Communication, Coordination, Effort and Balance of Member Contribution to Government Internal Audit Effectiveness Ria Gusrayanti Karta Darwis Said Ishak Amsari Penelitian ini bertujuan untuk menguji dan menganalisis pengaruh komunikasi, koordinasi, usaha dan kesetaraan kontribusi terhadap efektivitas audit internal...

An Empiric Linear Formula between the Internal Tetrahedron Symmetric Stretch Frequency and the Al Content in the Framework of KL Molecular Sieves

Institute of Scientific and Technical Information of China (English)

Nong Yue HE; Chun YANG; Jian Xin TANG; Peng Feng XIAO; Hong CHEN

2003-01-01

KL molecular sieves with different framework compositions were secondarily synthesized by substituting Si for Al with a solution of (NH4)2SiF6. The internal tetrahedron symmetric stretch frequency, at ν770 cm-1, is linear with the molar fraction of Al (XAl= Al/(Si+Al)) in the framework of KL samples: XAl = -7.309×10-3 (υ770-760) + 0.3242.

The molecular basis of the genesis of basal tone in internal anal sphincter

Science.gov (United States)

Zhang, Cheng-Hai; Wang, Pei; Liu, Dong-Hai; Chen, Cai-Ping; Zhao, Wei; Chen, Xin; Chen, Chen; He, Wei-Qi; Qiao, Yan-Ning; Tao, Tao; Sun, Jie; Peng, Ya-Jing; Lu, Ping; Zheng, Kaizhi; Craige, Siobhan M.; Lifshitz, Lawrence M.; Keaney Jr, John F.; Fogarty, Kevin E.; ZhuGe, Ronghua; Zhu, Min-Sheng

2016-01-01

Smooth muscle sphincters exhibit basal tone and control passage of contents through organs such as the gastrointestinal tract; loss of this tone leads to disorders such as faecal incontinence. However, the molecular mechanisms underlying this tone remain unknown. Here, we show that deletion of myosin light-chain kinases (MLCK) in the smooth muscle cells from internal anal sphincter (IAS-SMCs) abolishes basal tone, impairing defecation. Pharmacological regulation of ryanodine receptors (RyRs), L-type voltage-dependent Ca2+ channels (VDCCs) or TMEM16A Ca2+-activated Cl− channels significantly changes global cytosolic Ca2+ concentration ([Ca2+]i) and the tone. TMEM16A deletion in IAS-SMCs abolishes the effects of modulators for TMEM16A or VDCCs on a RyR-mediated rise in global [Ca2+]i and impairs the tone and defecation. Hence, MLCK activation in IAS-SMCs caused by a global rise in [Ca2+]i via a RyR-TMEM16A-VDCC signalling module sets the basal tone. Targeting this module may lead to new treatments for diseases like faecal incontinence. PMID:27101932

Turbulence and star formation in molecular clouds

International Nuclear Information System (INIS)

Larson, R.B.

1981-01-01

Data for many molecular clouds and condensations show that the internal velocity dispersion of each region is well correlated with its size and mass, and these correlations are approximately of power-law form. The dependence of velocity dispersion on region size is similar to the Kolmogoroff law for subsonic turbulence, suggesting that the observed motions are all part of a common hierarchy of interstellar turbulent motions. The regions studied are mostly gravitationally bound and in approximate virial equilibrium. However, they cannot have formed by simple gravitational collapse, and it appears likely that molecular clouds and their substructures have been created at least partly by processes of supersonic hydrodynamics. The hierarchy of subcondensations may terminate with objects so small that their internal motions are no longer supersonic; this predicts a minimum protostellar mass of the order of a few tenths of a solar mass. Massive 'protostellar' clumps always have supersonic internal motions and will therefore develop complex internal structures, probably leading to the formation of many pre-stellar condensation nuclei that grow by accretion to produce the final stellar mass spectrum. Molecular clouds must be transient structures, and are probably dispersed after not much more than 10 7 yr. (author)

Moving beyond too little, too late: managing emerging infectious diseases in wild populations requires international policy and partnerships

Science.gov (United States)

Voyles, Jamie; Kilpatrick, A. Marm; Collins, James P.; Fisher, Matthew C.; Frick, Winifred F.; McCallum, Hamish I.; Willis, Craig K.R.; Blehert, David S.; Murray, Kris A.; Puschendorf, Robert; Rosenblum, Erica Bree; Bolker, Benjamin M.; Cheng, Tina L.; Langwig, Kate E.; Linder, Daniel L.; Toothman, Mary; Wilber, Mark Q.; Briggs, Cheryl J.

2015-01-01

Emerging infectious diseases (EIDs) are on the rise due to multiple factors, including human facilitated movement of pathogens, broad-scale landscape changes, and perturbations to ecological systems (Jones et al. 2008; Fisher et al. 2012). Epidemics in wildlife are problematic because they can lead to pathogen spillover to new host organisms, erode biodiversity and threaten ecosystems that sustain human societies (Fisher et al. 2012; Kilpatrick 2011). There have been recent calls for large-scale research approaches to combat threats EIDs pose to wildlife (Sleeman 2013). While it is true that developing new analytical models, diagnostic assays and molecular tools will significantly avance outr abilities to respond to disease threats, we also propose that addressing difficult problems in EIDs will require considerable shofts in international health policy and infrastructure. While there are currently international organizations responsbile for rapidly initiating and coordinating preventative measures to control infectious diseases in human, livestock, and arable systems, there are few comparable instiutions that have the authority to implement transnational responses to EIDs in wildlife. This absence of well-developed infastructure hampers the rapid responses necessary to mitigate international spread of EIDs.

International bulletin on atomic and molecular data for fusion. No. 35

International Nuclear Information System (INIS)

Smith, J.J.

1987-05-01

The bulletin provides information on atomic and molecular data for fusion research. In Part I the indexed papers are listed separately for structure and spectra, atomic and molecular collisions, and surface effects. Part II contains all the bibliographic data for both indexed and non-indexed references (536 references). An author index is included

Coordinate-invariant regularization

International Nuclear Information System (INIS)

Halpern, M.B.

1987-01-01

A general phase-space framework for coordinate-invariant regularization is given. The development is geometric, with all regularization contained in regularized DeWitt Superstructures on field deformations. Parallel development of invariant coordinate-space regularization is obtained by regularized functional integration of the momenta. As representative examples of the general formulation, the regularized general non-linear sigma model and regularized quantum gravity are discussed. copyright 1987 Academic Press, Inc

The coordinate transforming in geography information system

International Nuclear Information System (INIS)

Zhao Xiang; Chen Gang

2003-01-01

The coordinate transforming of geography information system includes two kinds of transforming, map projection and coordinate-transforming. This paper proposed a arithmetic of coordinate-transforming, it implement the transforming between the longitude-latitude coordinate and the screen coordinate and apply it in the GIS. The preferable effect was made. (authors)

Coordinated research activities: Annual report and statistics for 2005

International Nuclear Information System (INIS)

2006-06-01

in the website at: http://cra.iaea.org/. The Coordinated Research Activities reported in this document are conducted in support of the following Agency programmes: Nuclear Power; Nuclear Fuel Cycle and Materials Technologies; Nuclear Science; Food and Agriculture; Human Health; Water Resources; Protection of the Marine and Terrestrial Environments; Physical and Chemical Applications; Safety of Nuclear Installations; Radiation and Transport Safety; Management of Radioactive Waste; Nuclear Security. Results of research are available to all Member States and are disseminated through, national, international and Agency scientific and technical publications. The Coordinated Research Activities are complementary to its Technical Cooperation Projects, with the knowledge gained via coordinated research used to enhance the quality of Technical Cooperation Projects. Some research results are directly relevant to Technical Cooperation Projects and lead to successful implementation of these projects, while some Technical Projects lead to participation in Coordinated Research Activities. In addition, CRPs and TC Projects may also be carried out simultaneously. In terms of benefits to Member States through their participating research institutions, number of awards and degree of funding, coordinated research activities constitute a significant component of the Agency's overall programme. 765 contracts and 142 agreements were awarded from the 1170 proposals (992 contract proposals and 178 agreement proposals) received by the Agency during 2005. Annex I lists, by country, the number of proposals received and awards made. In 2005, $7 223 923 from the regular budget, ($166 566 thereof from 2004 unobligated funds), and $169 590 of extra-budgetary contributions totaling $7 393 513 were awarded to institutes under contractual arrangements and to fund Research Coordination Meetings (RCMs). The average award per contract was $6 440, about 6% more than the 2004 average award level

Coordinated research activities: Annual report and statistics for 2005

Energy Technology Data Exchange (ETDEWEB)

NONE

2006-06-15

in the website at: http://cra.iaea.org/. The Coordinated Research Activities reported in this document are conducted in support of the following Agency programmes: Nuclear Power; Nuclear Fuel Cycle and Materials Technologies; Nuclear Science; Food and Agriculture; Human Health; Water Resources; Protection of the Marine and Terrestrial Environments; Physical and Chemical Applications; Safety of Nuclear Installations; Radiation and Transport Safety; Management of Radioactive Waste; Nuclear Security. Results of research are available to all Member States and are disseminated through, national, international and Agency scientific and technical publications. The Coordinated Research Activities are complementary to its Technical Cooperation Projects, with the knowledge gained via coordinated research used to enhance the quality of Technical Cooperation Projects. Some research results are directly relevant to Technical Cooperation Projects and lead to successful implementation of these projects, while some Technical Projects lead to participation in Coordinated Research Activities. In addition, CRPs and TC Projects may also be carried out simultaneously. In terms of benefits to Member States through their participating research institutions, number of awards and degree of funding, coordinated research activities constitute a significant component of the Agency's overall programme. 765 contracts and 142 agreements were awarded from the 1170 proposals (992 contract proposals and 178 agreement proposals) received by the Agency during 2005. Annex I lists, by country, the number of proposals received and awards made. In 2005, $7 223 923 from the regular budget, ($166 566 thereof from 2004 unobligated funds), and $169 590 of extra-budgetary contributions totaling $7 393 513 were awarded to institutes under contractual arrangements and to fund Research Coordination Meetings (RCMs). The average award per contract was $6 440, about 6% more than the 2004 average award level.

Coordinated research activities: Annual report and statistics for 2004

International Nuclear Information System (INIS)

2005-05-01

, including current information on CRPs and programme areas supported, information on policies and procedures and the administration of the activities is contained in the Agency's Coordinated Research Activities website at: http://www-crp.iaea.org. The Coordinated Research Activities reported in this document are conducted in support of the following Agency programmes: Nuclear Power; Nuclear Fuel Cycle and Materials Technologies; Capacity Building and Nuclear Knowledge Maintenance for Sustainable Energy Development; Nuclear Science; Food and Agriculture; Human Health; Water Resources; Protection of the Marine and Terrestrial Environments; Physical and Chemical Applications; Safety of Nuclear Installations; Radiation and Transport Safety; Management of Radioactive Waste; Nuclear Security. Results of research are available to all Member States and are disseminated through, national, international and Agency scientific and technical publications. The Coordinated Research Activities are complementary to its Technical Cooperation Projects, with the knowledge gained via coordinated research used to enhance the quality of Technical Cooperation Projects. In terms of benefits to Member States through their participating research institutions, number of awards and degree of funding, coordinated research activities constitute a significant component of the Agency's overall programme. 942 contracts and agreements were awarded from the 1244 contract and agreement proposals received by the Agency during 2004. In 2004, $6 765 324 were awarded from the regular budget to institutes under contractual arrangements and to fund Research Coordination Meetings (RCMs). Additionally, $230 859 of extra-budgetary contributions were used to fund additional contracts and RCMs. Thus, total awards amounted to $6 996 183. The average award per contract was $6 065

Coordinated research activities: Annual report and statistics for 2004

Energy Technology Data Exchange (ETDEWEB)

NONE

2005-05-15

, including current information on CRPs and programme areas supported, information on policies and procedures and the administration of the activities is contained in the Agency's Coordinated Research Activities website at: http://www-crp.iaea.org. The Coordinated Research Activities reported in this document are conducted in support of the following Agency programmes: Nuclear Power; Nuclear Fuel Cycle and Materials Technologies; Capacity Building and Nuclear Knowledge Maintenance for Sustainable Energy Development; Nuclear Science; Food and Agriculture; Human Health; Water Resources; Protection of the Marine and Terrestrial Environments; Physical and Chemical Applications; Safety of Nuclear Installations; Radiation and Transport Safety; Management of Radioactive Waste; Nuclear Security. Results of research are available to all Member States and are disseminated through, national, international and Agency scientific and technical publications. The Coordinated Research Activities are complementary to its Technical Cooperation Projects, with the knowledge gained via coordinated research used to enhance the quality of Technical Cooperation Projects. In terms of benefits to Member States through their participating research institutions, number of awards and degree of funding, coordinated research activities constitute a significant component of the Agency's overall programme. 942 contracts and agreements were awarded from the 1244 contract and agreement proposals received by the Agency during 2004. In 2004, $6 765 324 were awarded from the regular budget to institutes under contractual arrangements and to fund Research Coordination Meetings (RCMs). Additionally, $230 859 of extra-budgetary contributions were used to fund additional contracts and RCMs. Thus, total awards amounted to $6 996 183. The average award per contract was $6 065.

Reliable Approximation of Long Relaxation Timescales in Molecular Dynamics

Directory of Open Access Journals (Sweden)

Wei Zhang

2017-07-01

Full Text Available Many interesting rare events in molecular systems, like ligand association, protein folding or conformational changes, occur on timescales that often are not accessible by direct numerical simulation. Therefore, rare event approximation approaches like interface sampling, Markov state model building, or advanced reaction coordinate-based free energy estimation have attracted huge attention recently. In this article we analyze the reliability of such approaches. How precise is an estimate of long relaxation timescales of molecular systems resulting from various forms of rare event approximation methods? Our results give a theoretical answer to this question by relating it with the transfer operator approach to molecular dynamics. By doing so we also allow for understanding deep connections between the different approaches.

IAEA and IEA roles in international fusion energy research

International Nuclear Information System (INIS)

Dolan, T.; Nakamura, K.

2000-01-01

The article describes the IAEA's and the IEA's complementary roles in facilitating international fusion research cooperation. These roles represent highly desirable contributions to fusion research through pooling of limited human and financial resources. The two Agencies both coordinate research and organize technical meeting, but in different ways. They each have unique strengths and different modes of operation. In order to deal with potential overlaps and serve the fusion research community optimally, they are coordinating their activities

International Bulletin on Atomic and Molecular Data for Fusion. No. 36

International Nuclear Information System (INIS)

Smith, J.J.

1987-10-01

The bulletin provides information on atomic and molecular data relevant for fusion research. In Part I the indexed papers are listed separately for structure and spectra, atomic and molecular collisions and surface interactions. Part II contains all the bibliographic data for both the indexed and non-indexed references (555 references). An author index is included

International bulletin on atomic and molecular data for fusion. No. 39

International Nuclear Information System (INIS)

Smith, J.J.

1989-07-01

The Bulletin provides information on atomic and molecular data relevant for fusion research. In part I the indexed papers are listed separately for structure and spectra, atomic and molecular collisions, and surface interactions. Part II contains all the bibliographic data for both the indexed and non-indexed references (514 references). An author index is included

International bulletin on atomic and molecular data for fusion. No. 38

International Nuclear Information System (INIS)

Smith, J.J.

1989-01-01

The Bulletin provides information on atomic and molecular data relevant for fusion research. In Part I the indexed papers are listed separately for structure and spectra, atomic and molecular collisions and surface interactions. Part II contains all the bibliographic data for both the indexed and non-indexed references (654 references). An author index is included

Compendium of structure and collision data in the first 12 issues of the international bulletin on atomic and molecular data for fusion

International Nuclear Information System (INIS)

Katsonis, K.; Rumble, J. Jr.

1980-06-01

This document is a compendium of the structure, spectra and collision data in the first 12 issues of the International Bulletin on Atomic and Molecular Data for Fusion. The Bulletin is issued quarterly by the International Atomic Energy Agency to assist the development of fusion research and technology. Not included in this compendium are those parts of the Bulletin concerned with Surface Effects, Work in Progress, Contributed Numerical Data, and Data Requests. Where necessary, corrections have been made to the data previously published to make the compendium as accurate as possible. The editors would appreciate any information on errors, duplications or omissions which would make future compendia more accurate and useful. (author)

IAEA Coordinates International Mission on Remediation of Areas Off-site Fukushima Daiichi NPP

International Nuclear Information System (INIS)

2011-01-01

Full text: The International Atomic Energy Agency (IAEA) will dispatch an international expert mission to Japan to assist the country in its planning to remediate the areas off-site from the Fukushima Daiichi Nuclear Power Plant. Following a request by the Government of Japan, the mission, comprising 12 international and IAEA experts from several countries, will visit Japan between 7 and 15 October 2011 under the leadership of Mr. Juan Carlos Lentijo, General Director for Radiation Protection at Spain's nuclear regulatory authority. The team will go to several locations in the Fukushima Prefecture and conduct meetings in Tokyo with Japanese officials to: Provide assistance to Japan in its plans to manage remediation efforts; Review the country's remediation strategies, plans and work; and Share its findings with the international community. The IAEA mission will provide an opportunity for the international experts to exchange views with the Japanese authorities involved in the decontamination effort and other interested parties. It will also provide an opportunity for the IAEA to take stock of lessons learned from this important decontamination initiative. At the end of the mission a preliminary summary report will be provided to the Government of Japan and be made publically available. The team is also planning to hold a press briefing at the end of the mission. The final report of the mission will be presented to the Government in the month following the conclusion of the mission. Background The accident at Fukushima Daiichi Nuclear Power Plant has led to the radiological contamination of large areas. The Government of Japan has been formulating a strategy and plans to implement countermeasures to remediate these areas. The IAEA organized an International Fact Finding Expert Mission Of The Fukushima Daiichi Nuclear Power Plant Accident Following The Great East Japan Earthquake And Tsunami, which was held between 24 May and 2 June 2011. The current mission is a

Charge Effect on the Formation of Polyoxometalate-Based Supramolecular Polygons Driven by Metal Coordination.

Science.gov (United States)

Piot, Madeleine; Hupin, Sébastien; Lavanant, Hélène; Afonso, Carlos; Bouteiller, Laurent; Proust, Anna; Izzet, Guillaume

2017-07-17

The metal-driven self-assembly of a Keggin-based hybrid bearing two remote pyridine units was investigated. The resulting supramolecular species were identified by combination of 2D diffusion NMR spectroscopy (DOSY) and electrospray ionization mass spectrometry (ESI-MS) as a mixture of molecular triangles and squares. This behavior is different from that of the structural analogue Dawson-based hybrid displaying a higher charge, which only led to the formation of molecular triangles. This study highlights the decisive effect of the charge of the POMs in their self-assembly processes that disfavors the formation of large assemblies. An isothermal titration calorimetry (ITC) experiment confirmed the stronger binding in the case of the Keggin hybrids. A correlation between the diffusion coefficient D and the molecular mass M of the POM-based building block and its coordination oligomers was also observed. We show that the diffusion coefficient of these compounds is mainly determined by their occupied volume rather than by their shape.

Coordinated research activities: Annual report and statistics for 2007

Energy Technology Data Exchange (ETDEWEB)

NONE

2008-07-15

In 2007, a total of Euro 6 606 194 were obligated for the Agency's Coordinated Research Activities (Euro 6 515 957 from the regular budget and Euro 90 237 from extrabudgetary resources). Most of the Coordinated Research Activities are carried out via Coordinated Research Projects (CRPs) which bring together research institutes in both developing and developed Member States to collaborate on research topics of common interest. At the end of 2007, work was being carried out on 115 CRPs, 37 in Major Programme 1 - Nuclear Power, Fuel Cycle and Nuclear Science, 71 in Major Programme 2 - Nuclear Techniques for Development and Environmental Protection, and 7 in Major Programme 3 - Nuclear Safety and Security. The total amount obligated for these activities in 2007 was 15% more than in 2006, largely due to the implementation of 28 new CRPs. At the end of 2007 work was being carried out under 976 contracts and 562 agreements with institutes in 110 Member States. 72% of the funds obligated for contracts in 2007 were in respect of institutions in developing countries, primarily in the areas of food and agriculture and human health. During 2007, 21% of the Chief Scientific Investigators participating in Agency CRPs were female researchers. Efforts will continue to increase the participation of women and younger researcher in the Coordinated Research Activities. The forty two completed CRPs evaluated in Appendix E resulted in 9 PhDs, one masters degree and in the publishing of about 800 articles and reports, scientific papers, proceedings of scientific conferences and contribution to international conferences, as well as 13 IAEA TECDOCs, and various scientific databases and websites. Detailed evaluation reports on the outputs, effectiveness, impact, recommended future action, and resulting publications of these completed CRPs are included in in Appendix E of this report. (author)

Coordinated research activities: Annual report and statistics for 2007

International Nuclear Information System (INIS)

2008-07-01

In 2007, a total of Euro 6 606 194 were obligated for the Agency's Coordinated Research Activities (Euro 6 515 957 from the regular budget and Euro 90 237 from extrabudgetary resources). Most of the Coordinated Research Activities are carried out via Coordinated Research Projects (CRPs) which bring together research institutes in both developing and developed Member States to collaborate on research topics of common interest. At the end of 2007, work was being carried out on 115 CRPs, 37 in Major Programme 1 - Nuclear Power, Fuel Cycle and Nuclear Science, 71 in Major Programme 2 - Nuclear Techniques for Development and Environmental Protection, and 7 in Major Programme 3 - Nuclear Safety and Security. The total amount obligated for these activities in 2007 was 15% more than in 2006, largely due to the implementation of 28 new CRPs. At the end of 2007 work was being carried out under 976 contracts and 562 agreements with institutes in 110 Member States. 72% of the funds obligated for contracts in 2007 were in respect of institutions in developing countries, primarily in the areas of food and agriculture and human health. During 2007, 21% of the Chief Scientific Investigators participating in Agency CRPs were female researchers. Efforts will continue to increase the participation of women and younger researcher in the Coordinated Research Activities. The forty two completed CRPs evaluated in Appendix E resulted in 9 PhDs, one masters degree and in the publishing of about 800 articles and reports, scientific papers, proceedings of scientific conferences and contribution to international conferences, as well as 13 IAEA TECDOCs, and various scientific databases and websites. Detailed evaluation reports on the outputs, effectiveness, impact, recommended future action, and resulting publications of these completed CRPs are included in in Appendix E of this report. (author)

On coordinates and coordinate transformation in Einstein's theory of gravitation

International Nuclear Information System (INIS)

Chou Peiyuan

1983-01-01

This investigation is a further exposition of the significance of coordinates and their transformation in Einstein's theory of gravitation. The author considers the static axisymmetric field as an example, starts with its metric in the cylindrical coordinates, transforms this metric and the field equations into the Weyl-Levi-Civita system of coordinates, and supplements them with the harmonic condition. Both of the field equations and the harmonic condition are then transformed back to the original Cartesian system. Solutions for the static fields of an infinite plane with uniform surface density and an infinite rod with uniform linear density of matter, and of a body with spherical symmetry, are obtained again to show the necessity of the harmonic condition in their solutions. The fact that under the harmonic condition the solutions of the field equations for these problems contain their corresponding Newtonian potentials as approximations, is a strong support to the argument that the harmonic condition should be a physical supplement to Einstein's theory of gravitation. (Auth.)

Unpacking Coordination Benefits in Supply Networks

DEFF Research Database (Denmark)

Petrick, Irene J.; Maitland, Carleen; Pogrebnyakov, Nicolai

2016-01-01

This paper examines how coordination among firms in supply networks generates benefits in the short and long terms for firms. It focuses on information technology (IT) and process improvement coordination. Analysis was performed on quantitative and qualitative data from a sample of SMEs in plastics...... manufacturing in Pennsylvania. Results indicate that coordination on both IT and process improvement leads to short- and long-term benefits. These relationships were mediated by the adoption of innovations (when coordinating on IT) and access to new capabilities (in process improvement coordination......). These results extend the understanding of how participation in supply networks benefits individual firms....

Computing the Free Energy along a Reaction Coordinate Using Rigid Body Dynamics.

Science.gov (United States)

Tao, Peng; Sodt, Alexander J; Shao, Yihan; König, Gerhard; Brooks, Bernard R

2014-10-14

The calculations of potential of mean force along complex chemical reactions or rare events pathways are of great interest because of their importance for many areas in chemistry, molecular biology, and material science. The major difficulty for free energy calculations comes from the great computational cost for adequate sampling of the system in high-energy regions, especially close to the reaction transition state. Here, we present a method, called FEG-RBD, in which the free energy gradients were obtained from rigid body dynamics simulations. Then the free energy gradients were integrated along a reference reaction pathway to calculate free energy profiles. In a given system, the reaction coordinates defining a subset of atoms (e.g., a solute, or the quantum mechanics (QM) region of a quantum mechanics/molecular mechanics simulation) are selected to form a rigid body during the simulation. The first-order derivatives (gradients) of the free energy with respect to the reaction coordinates are obtained through the integration of constraint forces within the rigid body. Each structure along the reference reaction path is separately subjected to such a rigid body simulation. The individual free energy gradients are integrated along the reference pathway to obtain the free energy profile. Test cases provided demonstrate both the strengths and weaknesses of the FEG-RBD method. The most significant benefit of this method comes from the fast convergence rate of the free energy gradient using rigid-body constraints instead of restraints. A correction to the free energy due to approximate relaxation of the rigid-body constraint is estimated and discussed. A comparison with umbrella sampling using a simple test case revealed the improved sampling efficiency of FEG-RBD by a factor of 4 on average. The enhanced efficiency makes this method effective for calculating the free energy of complex chemical reactions when the reaction coordinate can be unambiguously defined by a

Analysis of errors introduced by geographic coordinate systems on weather numeric prediction modeling

Directory of Open Access Journals (Sweden)

Y. Cao

2017-09-01

Full Text Available Most atmospheric models, including the Weather Research and Forecasting (WRF model, use a spherical geographic coordinate system to internally represent input data and perform computations. However, most geographic information system (GIS input data used by the models are based on a spheroid datum because it better represents the actual geometry of the earth. WRF and other atmospheric models use these GIS input layers as if they were in a spherical coordinate system without accounting for the difference in datum. When GIS layers are not properly reprojected, latitudinal errors of up to 21 km in the midlatitudes are introduced. Recent studies have suggested that for very high-resolution applications, the difference in datum in the GIS input data (e.g., terrain land use, orography should be taken into account. However, the magnitude of errors introduced by the difference in coordinate systems remains unclear. This research quantifies the effect of using a spherical vs. a spheroid datum for the input GIS layers used by WRF to study greenhouse gas transport and dispersion in northeast Pennsylvania.

Effective dynamics along given reaction coordinates, and reaction rate theory.

Science.gov (United States)

Zhang, Wei; Hartmann, Carsten; Schütte, Christof

2016-12-22

In molecular dynamics and related fields one considers dynamical descriptions of complex systems in full (atomic) detail. In order to reduce the overwhelming complexity of realistic systems (high dimension, large timescale spread, limited computational resources) the projection of the full dynamics onto some reaction coordinates is examined in order to extract statistical information like free energies or reaction rates. In this context, the effective dynamics that is induced by the full dynamics on the reaction coordinate space has attracted considerable attention in the literature. In this article, we contribute to this discussion: we first show that if we start with an ergodic diffusion process whose invariant measure is unique then these properties are inherited by the effective dynamics. Then, we give equations for the effective dynamics, discuss whether the dominant timescales and reaction rates inferred from the effective dynamics are accurate approximations of such quantities for the full dynamics, and compare our findings to results from approaches like Mori-Zwanzig, averaging, or homogenization. Finally, by discussing the algorithmic realization of the effective dynamics, we demonstrate that recent algorithmic techniques like the "equation-free" approach and the "heterogeneous multiscale method" can be seen as special cases of our approach.

Contact expert group for international radwaste projects. Fourth meeting

International Nuclear Information System (INIS)

1997-06-01

The Contact Expert Group for International Radwaste Projects is the result of an IAEA seminar on ''International Co-operation on Nuclear Waste Management in the Russian Federation'', 15-17 May 1995, that was requested and sponsored by the Nordic countries. In two working groups at the Seminar, participants from the Russian Federation and 17 countries and international organizations co-operating with the Russian Federation in waste management projects recognized the need for setting up a contact group of experts to assist in co-ordinating their efforts. Such co-ordination would help avoid redundancy and duplication of effort, assure that priority needs were made known to the international community, and provide points of contact to facilitate co-operation. This report is a compilation of the 4. CEG meeting materials, both prepared by the CEG Secretariat and presented by meeting's participants. The materials discussed by the CEG and subsequently modified are presented in the finally approved version. As in the case of previous similar reports, the documentation presented was just compiled without any editing and thus should be considered only as ''working proceedings'' of the meeting

Measurement Frontiers in Molecular Biology

Science.gov (United States)

Laderman, Stephen

2009-03-01

Developments of molecular measurements and manipulations have long enabled forefront research in evolution, genetics, biological development and its dysfunction, and the impact of external factors on the behavior of cells. Measurement remains at the heart of exciting and challenging basic and applied problems in molecular and cell biology. Methods to precisely determine the identity and abundance of particular molecules amongst a complex mixture of similar and dissimilar types require the successful design and integration of multiple steps involving biochemical manipulations, separations, physical probing, and data processing. Accordingly, today's most powerful methods for characterizing life at the molecular level depend on coordinated advances in applied physics, biochemistry, chemistry, computer science, and engineering. This is well illustrated by recent approaches to the measurement of DNA, RNA, proteins, and intact cells. Such successes underlie well founded visions of how molecular biology can further assist in answering compelling scientific questions and in enabling the development of remarkable advances in human health. These visions, in turn, are motivating the interdisciplinary creation of even more comprehensive measurements. As a further and closely related consequence, they are motivating innovations in the conceptual and practical approaches to organizing and visualizing large, complex sets of interrelated experimental results and distilling from those data compelling, informative conclusions.

Uncertainty, learning and international environmental policy coordination

International Nuclear Information System (INIS)

Ulph, A.; Maddison, D.

1997-01-01

In this paper we construct a simple model of global warming which captures a number of key features of the global warming problem: (1) environmental damages are related to the stock of greenhouse gases in the atmosphere; (2) the global commons nature of the problem means that these are strategic interactions between the emissions policies of the governments of individual nation states; (3) there is uncertainty about the extent of the future damages that will be incurred by each country from any given level of concentration of greenhouse gases but there is the possibility that at a future date better information about the true extent of environmental damages may become available; an important aspect of the problem is the extent to which damages in different countries may be correlated. In the first part of the paper we consider a simple model with two symmetric countries and show that the value of perfect information is an increasing function of the correlation between damages in the two countries in both the cooperative and non-cooperative equilibria. However, while the value of perfect information is always non-negative in the cooperative equilibrium, in the non- cooperative equilibrium there is a critical value of the correlation coefficient below which the value of perfect information will be negative. In the second part of the paper we construct an empirical model of global warming distinguishing between OECD and non-OECD countries and show that in the non-cooperative equilibrium the value of perfect information for OECD countries is negative when the correlation coefficient between environmental damages for OECD and non-OECD countries is negative. The implications of these results for international agreements are discussed. 3 tabs., 26 refs

Studies of molecular dynamics with neutron scattering techniques. Part of a coordinated programme on neutron scattering techniques

International Nuclear Information System (INIS)

Vinhas, L.A.

1980-05-01

Molecular dynamics was studied in samples of tert-butanol, cyclohexanol and methanol, using neutron inelastic and quasi-elastic techniques. The frequency spectra of cyclohexanol in crystalline phase were interpreted by assigning individual energy peaks to hindered rotation of molecules, lattice vibration, hydrogen bond stretching and ring bending modes. Neutron quasi-elastic scattering measurements permitted the testing of models for molecular diffusion as a function of temperature. The interpretation of neutron incoherent inelastic scattering on methanol indicated the different modes of molecular dynamics in this material; individual inelastic peaks in the spectra could be assigned to vibrations of crystalline lattice, stretching of hydrogen bond and vibrational and torsional modes of CH 3 OH molecule. The results of the experimental work on tertbutanol indicate two distinct modes of motion in this material: individual molecular librations are superposed to a cooperative rotation diffusion which occurs both in solid and in liquid state

Molecular and Cellular Signaling

CERN Document Server

Beckerman, Martin

2005-01-01

A small number of signaling pathways, no more than a dozen or so, form a control layer that is responsible for all signaling in and between cells of the human body. The signaling proteins belonging to the control layer determine what kinds of cells are made during development and how they function during adult life. Malfunctions in the proteins belonging to the control layer are responsible for a host of human diseases ranging from neurological disorders to cancers. Most drugs target components in the control layer, and difficulties in drug design are intimately related to the architecture of the control layer. Molecular and Cellular Signaling provides an introduction to molecular and cellular signaling in biological systems with an emphasis on the underlying physical principles. The text is aimed at upper-level undergraduates, graduate students and individuals in medicine and pharmacology interested in broadening their understanding of how cells regulate and coordinate their core activities and how diseases ...

The curvature coordinate system

DEFF Research Database (Denmark)

Almegaard, Henrik

2007-01-01

The paper describes a concept for a curvature coordinate system on regular curved surfaces from which faceted surfaces with plane quadrangular facets can be designed. The lines of curvature are used as parametric lines for the curvature coordinate system on the surface. A new conjugate set of lin...

Coordinates in relativistic Hamiltonian mechanics

International Nuclear Information System (INIS)

Sokolov, S.N.

1984-01-01

The physical (covariant and measurable) coordinates of free particles and covariant coordinates of the center of inertia are found for three main forms of relativistic dynamics. In the point form of dynamics, the covariant coordinates of two directly interacting particles are found, and the equations of motion are brought to the explicitly covariant form. These equations are generalized to the case of interaction with an external electromagnetic field

Improvement of basic food crops in Africa through plant breeding, including the use of induced mutations. Report of the third research co-ordination meeting of FAO/IAEA/ITALY co-ordinated research programme. Working material

Energy Technology Data Exchange (ETDEWEB)

NONE

1997-12-01

A Co-ordinated Research Programme, on ``Improvement of basic food corps in Africa through plant breeding including the use of induced mutations``, funded by the Italian Governmnet, was initiated in the Joint Division of the Food and Agriculture Organization and International Atomic Energy Agency, Vienna. The primary objective of this CRP was to breed improved varieties of staple food crops of Africa with main emphasis on the indigenous species and local cultivars. The Third Research Co-ordination Meeting (RCM) under the FAO/IAEA/ITALY Co-ordinated Research Programme was held in Nairobi, Kenya, 20-24 September 1993 in which 24 persons participated and 18 scientific reports were presented. These included reports from 10 Research Contract holders from Africa, 3 Technical Contract holders from Italy and the update on the backstopping of research carried out at the IAEA Laboratories, Seibersdorf. The reports, and conclusions and recommendations made by the participants are presented in this publication. Refs, figs, tabs.

Improvement of basic food crops in Africa through plant breeding, including the use of induced mutations. Report of the third research co-ordination meeting of FAO/IAEA/ITALY co-ordinated research programme. Working material

International Nuclear Information System (INIS)

1997-01-01

A Co-ordinated Research Programme, on ''Improvement of basic food corps in Africa through plant breeding including the use of induced mutations'', funded by the Italian Governmnet, was initiated in the Joint Division of the Food and Agriculture Organization and International Atomic Energy Agency, Vienna. The primary objective of this CRP was to breed improved varieties of staple food crops of Africa with main emphasis on the indigenous species and local cultivars. The Third Research Co-ordination Meeting (RCM) under the FAO/IAEA/ITALY Co-ordinated Research Programme was held in Nairobi, Kenya, 20-24 September 1993 in which 24 persons participated and 18 scientific reports were presented. These included reports from 10 Research Contract holders from Africa, 3 Technical Contract holders from Italy and the update on the backstopping of research carried out at the IAEA Laboratories, Seibersdorf. The reports, and conclusions and recommendations made by the participants are presented in this publication. Refs, figs, tabs

International bulletin on atomic and molecular data for fusion. No. 61

International Nuclear Information System (INIS)

Stephens, J.A.; Bannister, M.E.; Delcroix, J.L.; Fuhr, J.

2002-01-01

This bulletin is prepared by the IAEA to assist in the development of fusion research and technology. In part 1 the Atomic and Molecular Data Information System (AMDIS) of the IAEA is presented. In part 2, the indexed papers are listed separately for structure and spectra, atomic and molecular collisions and surface interactions. Part 3 contains all the bibliographic data for both indexed and non-indexed references

Triangles and squares for a unique molecular crystal structure. Unsupported two-coordinate lithium cations and CC agostic interactions in cyclopropyllithium derivatives

Energy Technology Data Exchange (ETDEWEB)

Dufrois, Quentin; Daran, Jean-Claude; Vendier, Laure; Dinoi, Chiara; Etienne, Michel [Laboratoire de Chimie de Coordination du CNRS (LCC), Toulouse (France); Universite de Toulouse, UPS, INPT, LCC, Toulouse (France)

2018-02-12

Understanding and controlling the aggregation state is germane to alkyllithium chemistry. Lewis base-free alkyllithium compounds normally form tetrahedral tetramers or octahedral hexamers in the solid state with the lithium cations being three-coordinate. We report that the unsupported cyclopropyl derivative 1-(trimethylsilyl)cyclopropyllithium [{μ-c-C(SiMe_3)C_2H_4}Li]{sub 4} (1), synthesized by the reduction of 1-(phenylthio)-1-(trimethylsilyl)cyclopropane, crystallizes as a tetramer in the space group I-4 with the two-coordinate lithium atoms forming a square. CC agostic interactions complete the coordination sphere around each lithium. The aggregate is preserved in hydrocarbon solution. Furthermore, CC agostic interactions compete intra- and intermolecularly with Lewis base donation as in the unsaturated dimer of 1-(phenylthio)cyclopropyllithium [Li(thf){sub 2}{μ-c-C(SPh)C_2H_4}{sub 2}Li (thf)] (3) which is also fully characterized. (copyright 2018 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

The Role of Care Coordinator for Children with Complex Care Needs: A Systematic Review

Science.gov (United States)

Hillis, Rowan; Larkin, Philip J; Cawley, Des; Connolly, Michael

2016-01-01

Introduction: This systematic review seeks to identify the intended components of the role of care coordinator for children with complex care needs and the factors that determine its composition in practice. Theory and methods: The initial search identified 1,157 articles, of which 37 met the inclusion criteria. They were quality assessed using the SIGN hierarchy of evidence structure. Results: Core components of the role include: coordination of care needs, planning and assessment, specialist support, emotional support, administration and logistics and continuing professional development. Influencing factors on the role include the external environment (political and socio-economic), the internal environment (organisational structure and funding protocols), the skills, qualifications and experience of the coordinator, the family circumstances and the nature of the interaction between the care coordinator and the family. Discussion: The lack of consistent terminology creates challenges and there is a need for greater consensus on this issue. Organisations and healthcare professionals need to recognise the extent to which contextual factors influence the role of a care coordinator in practice and plan accordingly. Despite evidence that suggests that the role is pivotal in ensuring that care needs are sustained, there remains great variability in the understanding of the role of a care coordinator for this population. Conclusions: As the provision of care increasingly moves closer to home there is a need for greater understanding of the nature and composition of the interaction between care coordinators and families to determine the extent to which appropriate services are being provided. Further work in this area should take into consideration any potential variance in service provision, for example any potential inequity arising due to geographic location. It is also imperative, where appropriate, to seek the views of children with complex care needs and their

The Role of Care Coordinator for Children with Complex Care Needs: A Systematic Review

Directory of Open Access Journals (Sweden)

Rowan Hillis

2016-05-01

Full Text Available Introduction: This systematic review seeks to identify the intended components of the role of care coordinator for children with complex care needs and the factors that determine its composition in practice. Theory and methods: The initial search identified 1,157 articles, of which 37 met the inclusion criteria. They were quality assessed using the SIGN hierarchy of evidence structure. Results: Core components of the role include: coordination of care needs, planning and assessment, specialist support, emotional support, administration and logistics and continuing professional development. Influencing factors on the role include the external environment (political and socio-economic, the internal environment (organisational structure and funding protocols, the skills, qualifications and experience of the coordinator, the family circumstances and the nature of the interaction between the care coordinator and the family. Discussion: The lack of consistent terminology creates challenges and there is a need for greater consensus on this issue. Organisations and healthcare professionals need to recognise the extent to which contextual factors influence the role of a care coordinator in practice and plan accordingly. Despite evidence that suggests that the role is pivotal in ensuring that care needs are sustained, there remains great variability in the understanding of the role of a care coordinator for this population. Conclusions: As the provision of care increasingly moves closer to home there is a need for greater understanding of the nature and composition of the interaction between care coordinators and families to determine the extent to which appropriate services are being provided. Further work in this area should take into consideration any potential variance in service provision, for example any potential inequity arising due to geographic location. It is also imperative, where appropriate, to seek the views of children with complex care

Inter-functional coordination and entrepreneurial firms’ financial performance: a developing economy

OpenAIRE

Marjanova Jovanov, Tamara; Sofijanova, Elenica; Davcev, Ljupco; Temjanovski, Riste

2015-01-01

The main purpose of this paper is to verify the significance of the internal part of market orientation, i.e. inter-functional coordination (IFC) for the financial performance of the entrepreneurial firms in a developing economy. The objectives are: 1. To measure the level of each of the variables of the scale (IFC 1: Current and future needs of consumers are discussed in all of the concerned departments; IFC 2: When a department discovers something important about the consumers or the compet...

45 CFR 1310.23 - Coordinated transportation.

Science.gov (United States)

2010-10-01

... 45 Public Welfare 4 2010-10-01 2010-10-01 false Coordinated transportation. 1310.23 Section 1310... START PROGRAM HEAD START TRANSPORTATION Special Requirements § 1310.23 Coordinated transportation. (a) Each agency providing transportation services must make reasonable efforts to coordinate transportation...

International bulletin on atomic and molecular data for fusion. No. 48

International Nuclear Information System (INIS)

1994-10-01

This bulletin provides atomic and molecular data references relevant to thermonuclear fusion research and technology. In part I the indexing of the papers is given separately for (i) structure and spectra (energy levels, wavelengths; transition probabilities, oscillator strengths; interatomic potentials), (ii) atomic and molecular collisions (photon collisions, electron collisions, heavy particle collisions), and (iii) surface interactions (sputtering, surface damage, blistering, flaking, arcing, chemical reactions). Part II contains the bibliographic data for the above listed topics and for plasma composition and impurities, plasma heating, cooling and fuelling, high energy laser- and beam- matter interaction, bibliographic and numerical data collections, and on interaction of atomic particles with fields. Also included are sections on atomic and molecular data needs for fusion research and on news about ALADDIN (A Labelled Atomic Data Interface) and evaluated-data bases

Diels-Alder reactions of inert aromatic compounds within a self-assembled coordination cage.

Science.gov (United States)

Horiuchi, Shinnosuke; Murase, Takashi; Fujita, Makoto

2011-07-04

A self-assembled coordination cage serves as a nanometer-sized molecular flask to promote the Diels-Alder reactions of aromatic hydrocarbons with N-cyclohexylmaleimide. The coordination cage accelerated the Diels-Alder reaction of anthracene at the electronically unfavorable, terminal benzene ring to give a compact, cavity-restrained syn-adduct. Activation-parameter measurements for the reactions revealed considerable reduction in the entropy cost, and preorganization of the substrates is a dominant factor in the enhanced reactivity. Owing to this entropy-cost reduction, otherwise-unreactive aromatic compounds, such as naphthalenes or triphenylene, also underwent Diels-Alder reactions in a regio- and stereocontrolled fashion. In the naphthalene Diels-Alder reaction, X-ray crystallographic analysis of the guest-inclusion complex clarified the reinforced orientation and proximity of the substrate pairs before the reaction. A perylene Diels-Alder adduct was stabilized inside the cage and protected from aerial oxidation. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Redox reactions of [FeFe]-hydrogenase models containing an internal amine and a pendant phosphine.

Science.gov (United States)

Zheng, Dehua; Wang, Mei; Chen, Lin; Wang, Ning; Sun, Licheng

2014-02-03

A diiron dithiolate complex with a pendant phosphine coordinated to one of the iron centers, [(μ-SCH2)2N(CH2C6H4-o-PPh2){Fe2(CO)5}] (1), was prepared and structurally characterized. The pendant phosphine is dissociated together with a CO ligand in the presence of excess PMe3, to afford [(μ-SCH2)2N(CH2C6H4-o-PPh2){Fe(CO)2(PMe3)}2] (2). Redox reactions of 2 and related complexes were studied in detail by in situ IR spectroscopy. A series of new Fe(II)Fe(I) ([3](+) and [6](+)), Fe(II)Fe(II) ([4](2+)), and Fe(I)Fe(I) (5) complexes relevant to Hox, Hox(CO), and Hred states of the [FeFe]-hydrogenase active site were detected. Among these complexes, the molecular structures of the diferrous complex [4](2+) with the internal amine and the pendant phosphine co-coordinated to the same iron center and the triphosphine diiron complex 5 were determined by X-ray crystallography. To make a comparison, the redox reactions of an analogous complex, [(μ-SCH2)2N(CH2C6H5){Fe(CO)2(PMe3)}2] (7), were also investigated by in situ IR spectroscopy in the absence or presence of extrinsic PPh3, which has no influence on the oxidation reaction of 7. The pendant phosphine in the second coordination sphere makes the redox reaction of 2 different from that of its analogue 7.

Molecular environmental geochemistry

Science.gov (United States)

O'Day, Peggy A.

1999-05-01

The chemistry, mobility, and bioavailability of contaminant species in the natural environment are controlled by reactions that occur in and among solid, aqueous, and gas phases. These reactions are varied and complex, involving changes in chemical form and mass transfer among inorganic, organic, and biochemical species. The field of molecular environmental geochemistry seeks to apply spectroscopic and microscopic probes to the mechanistic understanding of environmentally relevant chemical processes, particularly those involving contaminants and Earth materials. In general, empirical geochemical models have been shown to lack uniqueness and adequate predictive capability, even in relatively simple systems. Molecular geochemical tools, when coupled with macroscopic measurements, can provide the level of chemical detail required for the credible extrapolation of contaminant reactivity and bioavailability over ranges of temperature, pressure, and composition. This review focuses on recent advances in the understanding of molecular chemistry and reaction mechanisms at mineral surfaces and mineral-fluid interfaces spurred by the application of new spectroscopies and microscopies. These methods, such as synchrotron X-ray absorption and scattering techniques, vibrational and resonance spectroscopies, and scanning probe microscopies, provide direct chemical information that can elucidate molecular mechanisms, including element speciation, ligand coordination and oxidation state, structural arrangement and crystallinity on different scales, and physical morphology and topography of surfaces. Nonvacuum techniques that allow examination of reactions in situ (i.e., with water or fluids present) and in real time provide direct links between molecular structure and reactivity and measurements of kinetic rates or thermodynamic properties. Applications of these diverse probes to laboratory model systems have provided fundamental insight into inorganic and organic reactions at

Optimization of strong and weak coordinates

NARCIS (Netherlands)

Swart, M.; Bickelhaupt, F.M.

2006-01-01

We present a new scheme for the geometry optimization of equilibrium and transition state structures that can be used for both strong and weak coordinates. We use a screening function that depends on atom-pair distances to differentiate strong coordinates from weak coordinates. This differentiation

Coordinated Reactive Power and Voltage Management for Offshore Wind Farms with AC-connection

DEFF Research Database (Denmark)

Heussen, Kai

2008-01-01

This paper analyzes voltage and reactive power in a wind farm in dependence on switchable shunt and tap-changer settings in connection with the control ranges of flexible reactive power sources. Attention is paid to their interdependent effects on central control variables, such as voltage...... in the collection grid, reactive power exported to the grid and internal active power losses. An aggregated steady-state model of an offshore wind farm is presented and a reduced mathematical representation suitable for symbolic analysis is developed. A coordination scheme is proposed to coordinate fast continuous...... control inputs with slow tap-changing devices using a short-term prediction. The proposed scheme is aimed at balancing cost factors such as wear of switching components, active power loss within the wind farm and STATCOM capacity....

Co-ordinated research project: comparative international studies of osteoporosis using isotope techniques

Energy Technology Data Exchange (ETDEWEB)

NONE

1999-12-31

Poor bone health is a major public health problem of worldwide concern. No country is immune. One of the main concerns - osteoporosis - is a bone disease that usually affects older people (primarily post-menopausal women), leading to hip fractures, vertebral compression fractures, and other related problems.In 1994 the IAEA (henceforth the `Agency`) started a 5-year Co-ordinated Research Programme (CRP) which addresses one particular measure of bone health - bone mineral density (BMD). The main concept underpinning this CRP is that good bone health in later years is primarily determined by the attainment of a sufficiently high BMD during early adulthood. The `core` objective of the Agency`s CRP is to investigate how BMD varies with the age, sex, ethnicity and geographical origin of the subjects over the age range from 15 to 50 years. This is being done in the hopeful expectation that, by looking at a large number of population groups with different lifestyle, nutritional and other parameters, it might be possible to obtain some new insights into which factors are important for attaining a high value of BMD during early adulthood, and for being able to maintain it at a sufficiently high level into old age. The Second Research Co-ordination Meeting (RCM) for participants in the CRP - which is the subject of the present report - was held at the University of California San Diego (UCSD), USA. An overview of the data on BMD reported by the participants during the meeting. It is concluded that the CRP participants have gathered an impressive amount of data over the last 2 years. Given the fact that some age groups contain relatively small numbers of subjects, the statistical uncertainties are still relatively large. Nevertheless, there do appear to be quite marked differences in BMD across the centres, approaching approximately 10%. If confirmed, this could represent a major difference in fracture risk for the future, if all other factors (bone quality, weight, fall

Co-ordinated research project: comparative international studies of osteoporosis using isotope techniques

International Nuclear Information System (INIS)

1998-01-01

Poor bone health is a major public health problem of worldwide concern. No country is immune. One of the main concerns - osteoporosis - is a bone disease that usually affects older people (primarily post-menopausal women), leading to hip fractures, vertebral compression fractures, and other related problems.In 1994 the IAEA (henceforth the 'Agency') started a 5-year Co-ordinated Research Programme (CRP) which addresses one particular measure of bone health - bone mineral density (BMD). The main concept underpinning this CRP is that good bone health in later years is primarily determined by the attainment of a sufficiently high BMD during early adulthood. The 'core' objective of the Agency's CRP is to investigate how BMD varies with the age, sex, ethnicity and geographical origin of the subjects over the age range from 15 to 50 years. This is being done in the hopeful expectation that, by looking at a large number of population groups with different lifestyle, nutritional and other parameters, it might be possible to obtain some new insights into which factors are important for attaining a high value of BMD during early adulthood, and for being able to maintain it at a sufficiently high level into old age. The Second Research Co-ordination Meeting (RCM) for participants in the CRP - which is the subject of the present report - was held at the University of California San Diego (UCSD), USA. An overview of the data on BMD reported by the participants during the meeting. It is concluded that the CRP participants have gathered an impressive amount of data over the last 2 years. Given the fact that some age groups contain relatively small numbers of subjects, the statistical uncertainties are still relatively large. Nevertheless, there do appear to be quite marked differences in BMD across the centres, approaching approximately 10%. If confirmed, this could represent a major difference in fracture risk for the future, if all other factors (bone quality, weight, fall

Molecular detection of human bacterial pathogens

National Research Council Canada - National Science Library

Liu, Dongyou

2011-01-01

.... Molecular Detection of Human Bacterial Pathogens addresses this issue, with international scientists in respective bacterial pathogen research and diagnosis providing expert summaries on current...

Molecular dynamics study on the microscopic details of the evaporation of water.

Science.gov (United States)

Mason, Phillip E

2011-06-16

Molecular dynamics simulations were conducted on a drop of water (containing 4890 TIP3P waters) at 350 K. About 70 evaporation events were found and characterized in enough detail to determine significant patterns relating to the mechanism of evaporation. It was found that in almost all evaporation events that a single, high-energy state immediately preceded the evaporation event. In ∼50% of the cases, this high-energy state involved a short oxygen-oxygen distance, suggesting a van der Waals collision, whereas in the remaining cases, a short hydrogen-hydrogen distance was found, suggesting an electrostatic "collision". Of the high-energy states that led to evaporation, about half occurred when the coordination number of water was 1, and about half, when the coordination number was 2. It was found that the 1-coordinated waters (∼1% of the surface waters) and 2-coordinated waters (6% of the surface waters) were responsible for almost all the evaporation events. © 2011 American Chemical Society