WorldWideScience

Sample records for energy landscape mapped

  1. Co-designing energy landscapes: Application of participatory mapping and geographic information systems in the exploration of low carbon futures

    NARCIS (Netherlands)

    Stremke, S.; Picchi, Paolo

    2017-01-01

    The chapter begins with a literature review of energy potential mapping, ecosystem services (ES) assessment and participatory mapping (PM). PM is a key technique to conduct tradeoff analysis while co-designing sustainable energy landscapes (SEL) with local communities. Stakeholders, among others,

  2. Research using energy landscape

    International Nuclear Information System (INIS)

    Kim, Hack Jin

    2007-01-01

    Energy landscape is a theoretical tool used for the study of systems where cooperative processes occur such as liquid, glass, clusters, and protein. Theoretical and experimental researches related to energy landscape are introduced in this review

  3. Exploring Energy Landscapes

    Science.gov (United States)

    Wales, David J.

    2018-04-01

    Recent advances in the potential energy landscapes approach are highlighted, including both theoretical and computational contributions. Treating the high dimensionality of molecular and condensed matter systems of contemporary interest is important for understanding how emergent properties are encoded in the landscape and for calculating these properties while faithfully representing barriers between different morphologies. The pathways characterized in full dimensionality, which are used to construct kinetic transition networks, may prove useful in guiding such calculations. The energy landscape perspective has also produced new procedures for structure prediction and analysis of thermodynamic properties. Basin-hopping global optimization, with alternative acceptance criteria and generalizations to multiple metric spaces, has been used to treat systems ranging from biomolecules to nanoalloy clusters and condensed matter. This review also illustrates how all this methodology, developed in the context of chemical physics, can be transferred to landscapes defined by cost functions associated with machine learning.

  4. Structural and kinetic mapping of side-chain exposure onto the protein energy landscape.

    Science.gov (United States)

    Bernstein, Rachel; Schmidt, Kierstin L; Harbury, Pehr B; Marqusee, Susan

    2011-06-28

    Identification and characterization of structural fluctuations that occur under native conditions is crucial for understanding protein folding and function, but such fluctuations are often rare and transient, making them difficult to study. Native-state hydrogen exchange (NSHX) has been a powerful tool for identifying such rarely populated conformations, but it generally reveals no information about the placement of these species along the folding reaction coordinate or the barriers separating them from the folded state and provides little insight into side-chain packing. To complement such studies, we have performed native-state alkyl-proton exchange, a method analogous to NSHX that monitors cysteine modification rather than backbone amide exchange, to examine the folding landscape of Escherichia coli ribonuclease H, a protein well characterized by hydrogen exchange. We have chosen experimental conditions such that the rate-limiting barrier acts as a kinetic partition: residues that become exposed only upon crossing the unfolding barrier are modified in the EX1 regime (alkylation rates report on the rate of unfolding), while those exposed on the native side of the barrier are modified predominantly in the EX2 regime (alkylation rates report on equilibrium populations). This kinetic partitioning allows for identification and placement of partially unfolded forms along the reaction coordinate. Using this approach we detect previously unidentified, rarely populated conformations residing on the native side of the barrier and identify side chains that are modified only upon crossing the unfolding barrier. Thus, in a single experiment under native conditions, both sides of the rate-limiting barrier are investigated.

  5. Editorial: Mapping the Intellectual Landscape of Landscape and Urban Planning

    Science.gov (United States)

    Paul H. Gobster; Wei-Ning. Xiang

    2012-01-01

    Maps are central to our understanding of landscapes. When this Editorship began to revise the journal's Aims and Scope for presentation in a forthcoming editorial, we sought ways in which we could identify the core knowledge base and boundaries, however permeable, of what the journal community considers to be Landscape and Urban Planning (LAND). Strategically, we...

  6. Energy landscape Allgaeu; Energielandschaft Allgaeu

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2013-04-01

    In tandems with questions on the energy policy turnaround, the topics cultural landscape history, morphology, actual land use, tourism, settlement development or infrastructure are summarized in regional concepts and designs to a consistent landscape. Thus, a true integration of renewable energies in the landscape enhances existing or creates completely new landscape qualities. Energy supply shall be understood as a component of the every day life world. The energy supply shall not be hidden any more, but it rather should be communicated as the brand 'Allgaeu'.

  7. Energy landscapes in a crowded world

    NARCIS (Netherlands)

    Pasqualetti, Martin; Stremke, Sven

    2018-01-01

    One of the main drivers of landscape transformation has been our demand for energy. We refer to the results of such transformations as "energy landscapes". This paper examines the definition of energy landscapes within a conceptual framework, proposes a classification of energy landscapes, and

  8. Potential energy landscapes of elemental and heterogeneous chalcogen clusters

    International Nuclear Information System (INIS)

    Mauro, John C.; Loucks, Roger J.; Balakrishnan, Jitendra; Varshneya, Arun K.

    2006-01-01

    We describe the potential energy landscapes of elemental S 8 , Se 8 , and Te 8 clusters using disconnectivity graphs. Inherent structures include both ring and chain configurations, with rings especially dominant in Se 8 . We also map the potential energy landscapes of heterogeneous Se n (S,Te) 8-n clusters, which offer insights into the structure of heterogeneous chalcogen glasses

  9. Energy Landscape of Social Balance

    Science.gov (United States)

    Marvel, Seth A.; Strogatz, Steven H.; Kleinberg, Jon M.

    2009-11-01

    We model a close-knit community of friends and enemies as a fully connected network with positive and negative signs on its edges. Theories from social psychology suggest that certain sign patterns are more stable than others. This notion of social “balance” allows us to define an energy landscape for such networks. Its structure is complex: numerical experiments reveal a landscape dimpled with local minima of widely varying energy levels. We derive rigorous bounds on the energies of these local minima and prove that they have a modular structure that can be used to classify them.

  10. Energy landscape of social balance.

    Science.gov (United States)

    Marvel, Seth A; Strogatz, Steven H; Kleinberg, Jon M

    2009-11-06

    We model a close-knit community of friends and enemies as a fully connected network with positive and negative signs on its edges. Theories from social psychology suggest that certain sign patterns are more stable than others. This notion of social "balance" allows us to define an energy landscape for such networks. Its structure is complex: numerical experiments reveal a landscape dimpled with local minima of widely varying energy levels. We derive rigorous bounds on the energies of these local minima and prove that they have a modular structure that can be used to classify them.

  11. Energy landscapes shape animal movement ecology.

    Science.gov (United States)

    Shepard, Emily L C; Wilson, Rory P; Rees, W Gareth; Grundy, Edward; Lambertucci, Sergio A; Vosper, Simon B

    2013-09-01

    The metabolic costs of animal movement have been studied extensively under laboratory conditions, although frequently these are a poor approximation of the costs of operating in the natural, heterogeneous environment. Construction of "energy landscapes," which relate animal locality to the cost of transport, can clarify whether, to what extent, and how movement properties are attributable to environmental heterogeneity. Although behavioral responses to aspects of the energy landscape are well documented in some fields (notably, the selection of tailwinds by aerial migrants) and scales (typically large), the principles of the energy landscape extend across habitat types and spatial scales. We provide a brief synthesis of the mechanisms by which environmentally driven changes in the cost of transport can modulate the behavioral ecology of animal movement in different media, develop example cost functions for movement in heterogeneous environments, present methods for visualizing these energy landscapes, and derive specific predictions of expected outcomes from individual- to population- and species-level processes. Animals modulate a suite of movement parameters (e.g., route, speed, timing of movement, and tortuosity) in relation to the energy landscape, with the nature of their response being related to the energy savings available. Overall, variation in movement costs influences the quality of habitat patches and causes nonrandom movement of individuals between them. This can provide spatial and/or temporal structure to a range of population- and species-level processes, ultimately including gene flow. Advances in animal-attached technology and geographic information systems are opening up new avenues for measuring and mapping energy landscapes that are likely to provide new insight into their influence in animal ecology.

  12. Free-Energy Landscape of Reverse tRNA Translocation through the Ribosome Analyzed by Electron Microscopy Density Maps and Molecular Dynamics Simulations

    Science.gov (United States)

    Ishida, Hisashi; Matsumoto, Atsushi

    2014-01-01

    To understand the mechanism of reverse tRNA translocation in the ribosome, all-atom molecular dynamics simulations of the ribosome-tRNAs-mRNA-EFG complex were performed. The complex at the post-translocational state was directed towards the translocational and pre-translocational states by fitting the complex into cryo-EM density maps. Between a series of the fitting simulations, umbrella sampling simulations were performed to obtain the free-energy landscape. Multistep structural changes, such as a ratchet-like motion and rotation of the head of the small subunit were observed. The free-energy landscape showed that there were two main free-energy barriers: one between the post-translocational and intermediate states, and the other between the pre-translocational and intermediate states. The former corresponded to a clockwise rotation, which was coupled to the movement of P-tRNA over the P/E-gate made of G1338, A1339 and A790 in the small subunit. The latter corresponded to an anticlockwise rotation of the head, which was coupled to the location of the two tRNAs in the hybrid state. This indicates that the coupled motion of the head rotation and tRNA translocation plays an important role in opening and closing of the P/E-gate during the ratchet-like movement in the ribosome. Conformational change of EF-G was interpreted to be the result of the combination of the external motion by L12 around an axis passing near the sarcin-ricin loop, and internal hinge-bending motion. These motions contributed to the movement of domain IV of EF-G to maintain its interaction with A/P-tRNA. PMID:24999999

  13. Free-energy landscape of reverse tRNA translocation through the ribosome analyzed by electron microscopy density maps and molecular dynamics simulations.

    Directory of Open Access Journals (Sweden)

    Hisashi Ishida

    Full Text Available To understand the mechanism of reverse tRNA translocation in the ribosome, all-atom molecular dynamics simulations of the ribosome-tRNAs-mRNA-EFG complex were performed. The complex at the post-translocational state was directed towards the translocational and pre-translocational states by fitting the complex into cryo-EM density maps. Between a series of the fitting simulations, umbrella sampling simulations were performed to obtain the free-energy landscape. Multistep structural changes, such as a ratchet-like motion and rotation of the head of the small subunit were observed. The free-energy landscape showed that there were two main free-energy barriers: one between the post-translocational and intermediate states, and the other between the pre-translocational and intermediate states. The former corresponded to a clockwise rotation, which was coupled to the movement of P-tRNA over the P/E-gate made of G1338, A1339 and A790 in the small subunit. The latter corresponded to an anticlockwise rotation of the head, which was coupled to the location of the two tRNAs in the hybrid state. This indicates that the coupled motion of the head rotation and tRNA translocation plays an important role in opening and closing of the P/E-gate during the ratchet-like movement in the ribosome. Conformational change of EF-G was interpreted to be the result of the combination of the external motion by L12 around an axis passing near the sarcin-ricin loop, and internal hinge-bending motion. These motions contributed to the movement of domain IV of EF-G to maintain its interaction with A/P-tRNA.

  14. Energy transition: towards landscape devastation?

    International Nuclear Information System (INIS)

    Posokhow, Andre

    2013-09-01

    The author criticizes some aspects of the content of the French policy for energy transition. He states that the objective of reduction of greenhouse emissions is unreachable and moreover useless when China keeps on opening new coal-fired power stations. He states that temperatures do not increase any longer and that it is not sure that CO 2 emissions are responsible for past increases. He outlines that the power of wind turbines is only a quarter of their theoretical one, that replacing nuclear energy by wind energy would require the installation of 33.000 wind turbines. He states that objectives of energy saving are not credible, and that the energy mix predictions are fuzzy. He outlines contradictions about the nuclear power station life duration, states that the installation of 210 wind turbines per district would devastate the French landscape

  15. Competing Wind Energy Discourses, Contested Landscapes

    Directory of Open Access Journals (Sweden)

    Antje Otto

    2014-10-01

    Full Text Available The impairment of landscapes is a concern constantly raised against wind energy developments in Germany as in other countries. Often, landscapes or landscape types are treated in the literature as essentialist or at least as uncontested categories. We analyse two examples of local controversies about wind energy, in which “landscape” is employed by supporters and opponents alike, from a poststructuralist and discourse theoretical angle. The aim is to identify and compare landscape constructs produced in the micro discourses of wind energy objectors and proponents at local level (a within each case, (b between the two cases and (c with landscape constructs that were previously found in macro discourses. One major finding is that several different landscapes can exist at one and the same place. Furthermore there seems to be a relatively stable set of competing landscape concepts which is reproduced in specific controversies. The paper concludes by highlighting practical consequences and by identifying promising avenues of further research.

  16. Synthetic Biology: Mapping the Scientific Landscape

    Science.gov (United States)

    Oldham, Paul; Hall, Stephen; Burton, Geoff

    2012-01-01

    This article uses data from Thomson Reuters Web of Science to map and analyse the scientific landscape for synthetic biology. The article draws on recent advances in data visualisation and analytics with the aim of informing upcoming international policy debates on the governance of synthetic biology by the Subsidiary Body on Scientific, Technical and Technological Advice (SBSTTA) of the United Nations Convention on Biological Diversity. We use mapping techniques to identify how synthetic biology can best be understood and the range of institutions, researchers and funding agencies involved. Debates under the Convention are likely to focus on a possible moratorium on the field release of synthetic organisms, cells or genomes. Based on the empirical evidence we propose that guidance could be provided to funding agencies to respect the letter and spirit of the Convention on Biological Diversity in making research investments. Building on the recommendations of the United States Presidential Commission for the Study of Bioethical Issues we demonstrate that it is possible to promote independent and transparent monitoring of developments in synthetic biology using modern information tools. In particular, public and policy understanding and engagement with synthetic biology can be enhanced through the use of online interactive tools. As a step forward in this process we make existing data on the scientific literature on synthetic biology available in an online interactive workbook so that researchers, policy makers and civil society can explore the data and draw conclusions for themselves. PMID:22539946

  17. Sustainable energy landscapes : designing, planning, and development

    NARCIS (Netherlands)

    Stremke, S.; Dobbelsteen, van den A.

    2013-01-01

    In the near future the appearance and spatial organization of urban and rural landscapes will be strongly influenced by the generation of renewable energy. One of the critical tasks will be the re-integration of these sustainable energy landscapes into the existing environment—which people value and

  18. Energy forest cultivation and the landscape

    International Nuclear Information System (INIS)

    Bell, Simon

    1994-01-01

    The place of energy forestry in the landscape is discussed, principally with reference to Britain and Europe. The importance of design as a means of ensuring an attractive appearance, while meeting functional and economic requirements, is stressed. Simple design principles which help energy forests, mainly short rotation arable coppice, to fit into the landscape are suggested. (author)

  19. Mapping of renewable energies

    International Nuclear Information System (INIS)

    Boulanger, V.

    2013-01-01

    Germany is the champion of green energy in Europe: the contribution of renewable energies to electricity generation reached about 20% in 2011. This article describes the situation of renewable energies in Germany in 2011 with the help of 2 maps, the first one gives the installed electrical generation capacity for each region and for each renewable energy source (wind power, hydro-electricity, biomass, photovoltaic energy and biogas) and the second one details the total number of jobs (direct and indirect) for each renewable energy source and for each region. In 2011 about 372000 people worked in the renewable energy sector in Germany. (A.C.)

  20. Concept of a landscape map according to Professor Franciszek Uhorczak

    Directory of Open Access Journals (Sweden)

    Meksuła Mirosław W.

    2016-09-01

    Full Text Available In the article, the concept of landscape maps by Franciszek Uhorczak (1902–1981, Professor of the Maria Curie-Skłodowska University in Lublin, was discussed. The maps constitute a cartographic illustration of volume III, IV and V of “Universal Geography” edited by Państwowe Wydawnictwo Naukowe (the National Scientific Publishing House (Warsaw 1965–1967 – the first Polish small-scale landscape maps of the world. From the perspective of the 50s, an attempt was undertaken to assess the editorial assumptions, landscape typology and selection of cartographic means used by the author, paying special attention to the selection of colours representing landscapes. Also, issues raising controversies related to the degree of generalization of particular elements of the content, typology of landscapes as well as map details were indicated. The performed analysis leads to the conclusion that landscape maps by Professor F. Uhorczak constituted one of the most significant achievements of Polish thematic cartography of the 20th century, and they are an unequaled model also for the contemporary cartographers.

  1. Peptide Free Energy Landscapes Calibrated by Molecular Orbital Calculations

    OpenAIRE

    Ono, S.; Kuroda, M.; Higo, J.; Kamiya, N.; Nakajima, N.; Nakamura, H.

    2002-01-01

    Free energy landscapes of peptide conformations werecalibrated by ab initiomolecular orbital calculations, after enhancedconformational sampling using the multicanonical molecular dynamicssimulations. Three different potentials of mean force for an isolateddipeptide were individually obtained using the conventional force fields,AMBER parm94, AMBER parm96, and CHARMm22. Each potential ofmean force was calibrated based on the umbrella sampling algorithm fromthe adiabatic energy map that was cal...

  2. Energy landscapes, landscapes in transition. How to prepare one's territory to the deployment of renewable energies

    International Nuclear Information System (INIS)

    2014-06-01

    This guide first defines the notion of landscape, outlines what is at stake with decentralised renewable energy production, and presents the various important aspects of a deployment of decentralised renewable energy production. It describes how to define a general strategy for the integration of this production: relationship between energy and landscape, project implementation, partnership, tools to anticipate changes, evolution of social demand through dialogue, conciliation of technical and financial constraints and landscape ambitions. An appendix proposes legal and bibliographical information: legal relationships between energy and landscape, possible arrangements for PLU (plan local d'urbanisme, local urban plan) and SCOT (schema de coherence territoriale, territorial planning document)

  3. Environmental psychology: Mapping landscape meanings for ecosystem management

    Science.gov (United States)

    Daniel R. Williams; Michael E. Patterson

    1999-01-01

    An intellectual map is a good starting point for any effort to integrate research on the human dimensions of ecosystem management. We must remember going into such exercises, however, that every map maker imposes a certain point of view, sense of order, or set of conventions in the effort to represent the world. Just as there are competing ways to divide the landscape...

  4. Landscape mapping MAV using single image perspective cues

    CSIR Research Space (South Africa)

    Tekane, YC

    2015-01-01

    Full Text Available in order to do mapping, our method does require a 3D model. Instead, our method first classifies the type of site the MAV is in, and the uses vision algorithms based on perspective cues to estimate the landscape location and the do mapping. We tested our...

  5. Mapping Wind Energy Controversies

    DEFF Research Database (Denmark)

    Munk, Anders Kristian

    As part the Wind2050 project funded by the Danish Council for Strategic Research we have mapped controversies on wind energy as they unfold online. Specifically we have collected two purpose built datasets, a web corpus containing information from 758 wind energy websites in 6 different countries......, and a smaller social media corpus containing information from 14 Danish wind energy pages on Facebook. These datasets have been analyzed to answer questions like: How do wind proponents and opponents organize online? Who are the central actors? And what are their matters of concern? The purpose of this report...

  6. Mapping the cultural learnability landscape of danger

    NARCIS (Netherlands)

    Barrett, H.C.; Peterson, C.D.; Frankenhuis, W.E.

    2016-01-01

    Cultural transmission is often viewed as a domain-general process. However, a growing literature suggests that learnability is influenced by content and context. The idea of a learnability landscape is introduced as a way of representing the effects of interacting factors on how easily information

  7. Place Mapping – transect walks in Arctic urban landscapes

    Directory of Open Access Journals (Sweden)

    Peter Hemmersam

    2016-11-01

    Full Text Available This article investigates how experimental forms of urban mapping can reveal the particularity of places in non-standard urban situations with the intention of moving beyond the reductivism of still-dominant modernist modes of mapping and associated forms of planning. In order to do so, it reports on the emergence of a methodology involving transect walks, with the purpose of mapping the peculiarities of cultural landscapes. The study is located in cities and communities in the Arctic that are undergoing rapid transformation and are in urgent need of new conceptual approaches capable of enabling future thinking and strategic action. The article specifically asks how such a methodology works to includes the ephemeral and emergent, but also digital, dimensions of urban landscapes, and results in a complex reflexive method of critically reading and writing, of moving and locating, of seeing and picturing place mapping.

  8. The renewable energies: the landscape

    International Nuclear Information System (INIS)

    Acket, C.; Bacher, P.

    2005-03-01

    If one takes into account the hydroelectric power, the France is the first european country in the renewable energies domain. The position is also honorable concerning the wood energy. Meanwhile, for the solar and wind energy, France is late. To discuss this debate, the authors bring together today data on the renewable energies, offer some proposals for the next 50 years taking into account the reduction of greenhouse gases emission for 2050. (A.L.B.)

  9. Towards an Integrated Energy Landscape

    NARCIS (Netherlands)

    de Boer, Jessica; Zuidema, Christian

    2013-01-01

    In this paper, we show that an area-based approach to fostering the ‘energy transition’ has potential to help spatial planners and policy makers understand how innovative sustainable energy initiatives may contribute to the energy transition. On the basis of a desk study of research reports on

  10. Mapping of Landscape Cover Using Remote Sensing and GIS in ...

    African Journals Online (AJOL)

    Humankind to fulfill its needs has put natural resources of the earth to a severe pressure. The rate of degradation and depletion of earth resources has accelerated tremendously in view of the overincreasing demographic pressure. Therefore, mapping of landscape cover types to evaluate it has been a great concern for ...

  11. Orientational dynamics and energy landscape features of ...

    Indian Academy of Sciences (India)

    WINTEC

    Energy landscape analysis of inherent structures shows that the ... to be strikingly similar to that of supercooled molecular liquids5 .... where eiα is the α-component (in the space-fixed frame) of the unit orientation vector ei along the principal symmetry axis of the ith ellipsoid of revo- ..... understand pathways of protein folding.

  12. Exploring the conformational energy landscape of proteins

    Energy Technology Data Exchange (ETDEWEB)

    Nienhaus, G.U. [Univ. of Illinois, Urbana, IL (United States)]|[Universitaet Ulm (Germany); Mueller, J.D.; McMahon, B.H. [Univ. of Illinois, Urbana, IL (United States)] [and others

    1997-04-01

    Proteins possess a complex energy landscape with a large number of local minima called conformational substates that are arranged in a hierarchical fashion. Here we discuss experiments aimed at the elucidation of the energy landscape in carbonmonoxy myoglobin (MbCO). In the highest tier of the hierarchy, a few taxonomic substates exist. Because of their small number, these substates are accessible to detailed structural investigations. Spectroscopic experiments are discussed that elucidate the role of protonations of amino acid side chains in creating the substates. The lower tiers of the hierarchy contain a large number of statistical substates. Substate interconversions are observed in the entire temperature range from below 1 K up to the denaturation temperature, indicating a wide spectrum of energy barriers that separate the substates.

  13. The changing geopolitical landscape of energy

    International Nuclear Information System (INIS)

    Lesourne, Jacques

    2011-08-01

    The author first discusses the impact of the financial crisis of 2008, and of the large-scale exploitation of shale gases in the USA on energy policies and on the geopolitical landscape of energy. Then, he discusses the influence that events which occurred in 2011 had on these issues: firstly, the Copenhagen and Cancun Conferences, secondly, the Fukushima accident, thirdly, the nuclear phasing-out by Germany and incidentally by Italy, and fourthly, the Arab Spring. In the next parts, he comments the consequences for the European energy policy, and the perspectives for the struggle against climate change

  14. Mapping The Ancient Maya Landscape From Space

    Science.gov (United States)

    Sever, Tom; Arnold, James E. (Technical Monitor)

    2002-01-01

    The Peten region of northern Guatemala is one of the last places on earth where major archeological sites remain to be discovered. It was in this region that the Maya civilization began, flourished, and abruptly disappeared. Remote sensing technology is helping to locate and map ancient Maya sites that are threatened today by accelerating deforestation and looting. Thematic Mapper and IKONOS satellite and airborne Star3-I radar data, combined with Global Positioning System (GPS) technology, are successfully detecting ancient Maya features such as cities, roadways, canals, and water reservoirs. Satellite imagery is also being used to map the bajos, which are seasonally flooded swamps that cover over 40% of the land surface. The use of bajos for farming has been a source of debate within the professional community for many years. But the recent detection and verification of cultural features within the bajo system by our research team are providing conclusive evidence that the ancient Maya had adapted well to wetland environments from the earliest times and utilized them until the time of the Maya collapse. The use of the bajos for farming is also an important resource for the future of the current inhabitants who are experiencing rapid population growth. Remote sensing imagery is also demonstrating that in the Preclassic period (600 BC- AD 250), the Maya had already achieved a high organizational level as evidenced by the construction of massive temples and an elaborate inter-connecting roadway system. Although they experienced several setbacks such as droughts and hurricanes, the Maya nevertheless managed the delicate forest ecosystem successfully for several centuries. However, around AD 800, something happened to the Maya to cause their rapid decline and eventual disappearance from the region. The evidence indicates that at this time there was increased climatic dryness, extensive deforestation, overpopulation, and widespread warfare. This raises a question that

  15. Noise pollution mapping approach and accuracy on landscape scales.

    Science.gov (United States)

    Iglesias Merchan, Carlos; Diaz-Balteiro, Luis

    2013-04-01

    Noise mapping allows the characterization of environmental variables, such as noise pollution or soundscape, depending on the task. Strategic noise mapping (as per Directive 2002/49/EC, 2002) is a tool intended for the assessment of noise pollution at the European level every five years. These maps are based on common methods and procedures intended for human exposure assessment in the European Union that could be also be adapted for assessing environmental noise pollution in natural parks. However, given the size of such areas, there could be an alternative approach to soundscape characterization rather than using human noise exposure procedures. It is possible to optimize the size of the mapping grid used for such work by taking into account the attributes of the area to be studied and the desired outcome. This would then optimize the mapping time and the cost. This type of optimization is important in noise assessment as well as in the study of other environmental variables. This study compares 15 models, using different grid sizes, to assess the accuracy of the noise mapping of the road traffic noise at a landscape scale, with respect to noise and landscape indicators. In a study area located in the Manzanares High River Basin Regional Park in Spain, different accuracy levels (Kappa index values from 0.725 to 0.987) were obtained depending on the terrain and noise source properties. The time taken for the calculations and the noise mapping accuracy results reveal the potential for setting the map resolution in line with decision-makers' criteria and budget considerations. Copyright © 2013 Elsevier B.V. All rights reserved.

  16. Energy-landscape Nexus: Advancing a conceptual framework for the design of sustainable energy landscapes

    NARCIS (Netherlands)

    Stremke, S.

    2013-01-01

    For some time now, the concept of “energy landscape” is discussed in academia while more and more practising landscape architects contribute to the siting, designing, and assessment of renewable energy technologies (see Stremke et al. 2012). Yet, there remains some ambiguity what exactly is meant

  17. Mapping agricultural landscapes and characterizing adaptive capacity in Central America

    Science.gov (United States)

    Holland, M. B.; Imbach, P. A.; Bouroncle, C.; Donatti, C.; Leguia, E.; Martinez, M.; Medellin, C.; Saborio-Rodriguez, M.; Shamer, S.; Zamora, J.

    2013-12-01

    One of the key challenges in developing adaptation strategies for smallholder farmers in developing countries is that of a data-poor environment, where spatially-explicit information about where the most vulnerable smallholder communities are located is lacking. Developing countries tend to lack consistent and reliable maps on agricultural land use, and have limited information available on smallholder adaptive capacity. We developed a novel participatory and expert mapping process to overcome these barriers and develop detailed national-scale maps that allow for a characterization of unique agricultural landscapes based on profiles of adaptive capacity for smallholder agriculture in each area. This research focuses specifically on the Central American nations of Costa Rica, Guatemala, and Honduras, where our focus is on coffee and basic grains as the two main cropping systems. Here we present the methodology and results of a series of in-depth interviews and participatory mapping sessions with experts working within the broader agricultural sector in each country. We held individual interviews and mapping sessions with approximately thirty experts from each country, and used a detailed survey instrument for each mapping session to both spatially identify distinct agricultural landscapes, and to further characterize each area based on specific farm practices and social context. The survey also included a series of questions to help us assess the relative adaptive capacity of smallholder agriculture within each landscape. After all expert mapping sessions were completed in each country we convened an expert group to assist in both validating and refining the set of landscapes already defined. We developed a characterization of adaptive capacity by aggregating indicators into main assets-based criteria (e.g. land tenure, access to credit, access to technical assistance, sustainable farm practices) derived from further expert weighting of indicators through an online

  18. Mapping the World's Intact Forest Landscapes by Remote Sensing

    Directory of Open Access Journals (Sweden)

    Peter Potapov

    2008-12-01

    Full Text Available Protection of large natural forest landscapes is a highly important task to help fulfill different international strategic initiatives to protect forest biodiversity, to reduce carbon emissions from deforestation and forest degradation, and to stimulate sustainable forest management practices. This paper introduces a new approach for mapping large intact forest landscapes (IFL, defined as an unbroken expanse of natural ecosystems within areas of current forest extent, without signs of significant human activity, and having an area of at least 500 km2. We have created a global IFL map using existing fine-scale maps and a global coverage of high spatial resolution satellite imagery. We estimate the global area of IFL within the current extent of forest ecosystems (forest zone to be 13.1 million km2 or 23.5% of the forest zone. The vast majority of IFL are found in two biomes: Dense Tropical and Subtropical Forests (45.3% and Boreal Forests (43.8%. The lowest proportion of IFL is found in Temperate Broadleaf and Mixed Forests. The IFL exist in 66 of the 149 countries that together make up the forest zone. Three of them - Canada, Russia, and Brazil - contain 63.8% of the total IFL area. Of the world's IFL area, 18.9% has some form of protection, but only 9.7% is strictly protected, i.e., belongs to IUCN protected areas categories I-III. The world IFL map presented here is intended to underpin the development of a general strategy for nature conservation at the global and regional scales. It also defines a baseline for monitoring deforestation and forest degradation that is well suited for use with operational and cost-effective satellite data. All project results and IFL maps are available on a dedicated web site (http://www.intactforests.org.

  19. Definitions and mapping the landscape in the collaborative economy

    DEFF Research Database (Denmark)

    Gyimóthy, Szilvia; Dredge, Dianne

    2017-01-01

    This chapter examines definitions of the collaborative economy and maps out the landscape of collaborative economy in tourism. We cast a wide inclusive net, acknowledging that the collaborative economy is found in the intersection of two words: “collaborative” and “economy”. Any attempt to narrow...... its definition to digitally-mediated, monetised transactions limits the potential understandings that we may develop about this phenomenon. We argue that the collaborative economy involves collaboration through which there is an exchange of resources, assets or services. By corollary, researchers...

  20. New interaction paths in the energy landscape: the role of local energy initiatives

    OpenAIRE

    de Boer, Jessica; Zuidema, Christian; Gugerell, Katharina

    2018-01-01

    Energy transition is an encompassing process which not only involves the energy system but also the landscape in which the energy system is embedded. Renewable energy is triggering new interactions with local landscapes in physical, socio-economic and institutional senses. We capture these interactions using the energy landscape concept, which expresses the interdependence of the energy system with the landscape. We aim to understand whether and how local energy initiatives facilitate this in...

  1. South-East Asian Region (SEAR): Sea Basin Landscape Mapping for Paleoclimatology & Recent Climate Change Impacts

    Data.gov (United States)

    National Aeronautics and Space Administration — The objective of this work includes the coastal scenario, risks and development of coastal paleoclimatology through landscape mapping; by highlighting the...

  2. Mitigation/Adaptation: landscape architecture meets sustainable energy transition

    NARCIS (Netherlands)

    Stremke, S.

    2009-01-01

    Mitigation of climate change and adaptation to renewable energy sources are among the emerging fields of activity in landscape architecture. If landscape architects recognize the need for sustainable development on the basis of renewable energy sources, then how can we contribute to sustainable and

  3. Mapping the Technological Knowledge Landscape: The Case of Epigenetics.

    Science.gov (United States)

    Song, Chie Hoon; Yoon, Janghyeok; Ko, Namuk; Han, Jeung-Whan

    2016-01-01

    Epigenetics is a biomedical novelty in drug design and disease control whose mechanisms play a significant role in transferring environmental signals to determine patterns of gene expression. Systematic identification of the main trends in epigenetics patenting activity provides insights into fundamental building blocks of this research field and policy guidance to funding agencies. The review aims at providing a comprehensive overview of the research and development trend in epigenetics by mapping the knowledge structure in patent landscape. Citation-based patent network analysis was performed to visualize the technological landscape. We focus on identifying the structure of the knowledge networks to study the technological trajectories. Patents that play an integral part in the dissemination and bridging of the technical knowledge are located and ranked. The latent topics in patent documents are highlighted by means of a topic modeling technique. Visualization of the patent network results in four main clusters. The first two clusters deal with the inhibition of histone deacetylase (HDAC). The third cluster covers inventions related to DNA methylation, which represents an epigenetic signaling tool that cells use to control gene expression. The fourth cluster encompasses computing systems and data mining techniques for identifying combinations of genetic and epigenetic attributes related to health and lifestyle improvements. We are in the growth period of gathering knowledge on various mechanisms of epigenetic regulation. There is enormous potential for improving healthcare through better understanding of the interrelationships between epigenetic control of gene expression and compounds that trigger these modifications.

  4. Mapping of the US Domestic Influenza Virologic Surveillance Landscape.

    Science.gov (United States)

    Jester, Barbara; Schwerzmann, Joy; Mustaquim, Desiree; Aden, Tricia; Brammer, Lynnette; Humes, Rosemary; Shult, Pete; Shahangian, Shahram; Gubareva, Larisa; Xu, Xiyan; Miller, Joseph; Jernigan, Daniel

    2018-07-17

    Influenza virologic surveillance is critical each season for tracking influenza circulation, following trends in antiviral drug resistance, detecting novel influenza infections in humans, and selecting viruses for use in annual seasonal vaccine production. We developed a framework and process map for characterizing the landscape of US influenza virologic surveillance into 5 tiers of influenza testing: outpatient settings (tier 1), inpatient settings and commercial laboratories (tier 2), state public health laboratories (tier 3), National Influenza Reference Center laboratories (tier 4), and Centers for Disease Control and Prevention laboratories (tier 5). During the 2015-16 season, the numbers of influenza tests directly contributing to virologic surveillance were 804,000 in tiers 1 and 2; 78,000 in tier 3; 2,800 in tier 4; and 3,400 in tier 5. With the release of the 2017 US Pandemic Influenza Plan, the proposed framework will support public health officials in modeling, surveillance, and pandemic planning and response.

  5. 75 FR 16719 - Information Collection; Forest Landscape Value and Special Place Mapping for National Forest...

    Science.gov (United States)

    2010-04-02

    ... Collection; Forest Landscape Value and Special Place Mapping for National Forest Planning AGENCY: Forest... on the new information collection, Forest Landscape Value and Special Place Mapping for National Forest Planning. DATES: Comments must be received in writing on or before June 1, 2010 to be assured of...

  6. Principles for Aircraft Energy Mapping

    OpenAIRE

    Berg, Frederick T N

    2013-01-01

    An increasing emphasis on energy eciency in aircraft systems has in recentyears led to greater interest in integrated design and optimisation withinthe industry. New tools are needed to understand, compare and manage energyuse of an aircraft throughout its design and operation. This thesis describes a new methodology to meet this need: aircraft exergy mapping.The choice of exergy, a 2nd law metric, to describe the energy ows is fundamental to the methodology, providing numerous advantages ove...

  7. New Energy Landscapes of Pennsylvania: Forests to Farms to Fracking

    Science.gov (United States)

    Johnson, Deborah A.

    This dissertation adds to the literature on energy needed by industry, government, and citizens for decision-making. The pursuit to access or create new energy resources spawns new landscapes of energy in the early 21st century. The combination of hydraulic fracturing and horizontal drilling technologies---popularly called "fracking"---enables entry into previously inaccessible natural gas reserves such as the Marcellus shale much of which lies beneath Pennsylvania. Although this unconventional method offers a promising source of domestic energy and job growth, the potential for negative impacts raises concerns and questions. The questions include: What is the controversy about fracking in Pennsylvania? What are the impacts of fracking? What costs is Pennsylvania paying as it shifts to shale gas extraction? Are there activities taking place or material signs that point to the emerging new landscapes? Are the individuals and organizations that resist shale gas extraction---the so-called "Green Forces"---and others who live within the region of development more or less attuned to these costs? A mixed methods approach consists of landscape and stakeholder analyses including visual examination of GIS-generated maps, satellite images, and photos taken in the field specifically from four counties: Washington, Warren, McKean, and Bradford. Research captures stakeholders' voices across the public, government, and private sectors at different scales. A stakeholder matrix facilitates data organization and analysis. Data include 114 individual statements from an EPA Public Meeting, texts from 40 online-newspaper articles or blogs, and face-to-face interviews or focus group participation of 36 individuals. Further data come from a public health conference, industry convention, and public protest. The new energy landscape covers spaces in Pennsylvania where oil and gas development previously had not been present. It obscures as well as exposes the legacy of past energy

  8. Mapping Meaningful Places on Washington's Olympic Peninsula: Toward a Deeper Understanding of Landscape Values.

    Science.gov (United States)

    Cerveny, Lee Karol; Biedenweg, Kelly; McLain, Rebecca

    2017-10-01

    Landscape values mapping has been widely employed as a form of public participation GIS (PPGIS) in natural resource planning and decision-making to capture the complex array of values, uses, and interactions between people and landscapes. A landscape values typology has been commonly employed in the mapping of social and environmental values in a variety of management settings and scales. We explore how people attribute meanings and assign values to special places on the Olympic Peninsula (Washington, USA) using both a landscape values typology and qualitative responses about residents' place-relationships. Using geographically referenced social values data collected in community meetings (n = 169), we identify high-frequency landscape values and examine how well the landscape values are reflected in open-ended descriptions of place-relations. We also explore the various interpretations of 14 landscape values used in the study. In particular, we investigate any overlapping meanings or blurriness among landscape values and reveal potentially emergent landscape values from the qualitative data. The results provide insights on the use of landscape values mapping typologies for practitioners and researchers engaged in the mapping of social values for PPGIS.

  9. Mapping Meaningful Places on Washington's Olympic Peninsula: Toward a Deeper Understanding of Landscape Values

    Science.gov (United States)

    Cerveny, Lee Karol; Biedenweg, Kelly; McLain, Rebecca

    2017-10-01

    Landscape values mapping has been widely employed as a form of public participation GIS (PPGIS) in natural resource planning and decision-making to capture the complex array of values, uses, and interactions between people and landscapes. A landscape values typology has been commonly employed in the mapping of social and environmental values in a variety of management settings and scales. We explore how people attribute meanings and assign values to special places on the Olympic Peninsula (Washington, USA) using both a landscape values typology and qualitative responses about residents' place-relationships. Using geographically referenced social values data collected in community meetings ( n = 169), we identify high-frequency landscape values and examine how well the landscape values are reflected in open-ended descriptions of place-relations. We also explore the various interpretations of 14 landscape values used in the study. In particular, we investigate any overlapping meanings or blurriness among landscape values and reveal potentially emergent landscape values from the qualitative data. The results provide insights on the use of landscape values mapping typologies for practitioners and researchers engaged in the mapping of social values for PPGIS.

  10. Energy landscapes in proteins and glasses

    Science.gov (United States)

    Singh, Sadanand

    Soft materials are ubiquitous in our day-to-day life. They include liquids, colloids, polymers, foams, gels, granular systems, and a number of biological materials. While these materials exhibit a wide range of textures and morphologies, many of their properties have common physicochemical origins. A better understanding of such origins would lead to rational design and engineering of functional soft materials. A common feature of soft materials is the wide range of time and length scales that characterizes their behavior. Unfortunately, available molecular modeling techniques are often ill-suited for problems that exhibit multiple length and time scales. In this thesis, we introduce and implement new simulation methods that have enabled molecular-level studies of soft materials. Such methods permit calculation of free energy surfaces, and we demonstrate their usefulness in the context of proteins and glasses, both of which exhibit rugged free energy landscapes. A first application is concerned with human amylin, a protein associated with Type II diabetes. Patients with Type II diabetes exhibit fibrillar deposits of human amylin protein in the pancreas. By applying the advanced simulation methods and algorithms developed in this work, we investigate the structure and folding dynamics of human amylin. A detailed mechanism is presented at the atomic-level for the nucleation and aggregation of the peptide. The results presented in this work could help in development of therapeutic strategies for Type II diabetes. The second application is concerned with the study of vapor-deposited ultrastable glasses. These stable glasses have, far below the conventional glass transition temperature, the properties expected from the equilibrium supercooled liquid state. Our results indicate that optimal stability is attained when deposition occurs near the Kauzmann temperature. We also show that the extraordinary stability of model vapor deposited glasses is associated with distinct

  11. Uav Photogrammetry for Mapping and Monitoring of Northern Permafrost Landscapes

    Science.gov (United States)

    Fraser, R. H.; Olthof, I.; Maloley, M.; Fernandes, R.; Prevost, C.; van der Sluijs, J.

    2015-08-01

    Northern environments are changing in response to recent climate warming, resource development, and natural disturbances. The Arctic climate has warmed by 2-3°C since the 1950's, causing a range of cryospheric changes including declines in sea ice extent, snow cover duration, and glacier mass, and warming permafrost. The terrestrial Arctic has also undergone significant temperature-driven changes in the form of increased thermokarst, larger tundra fires, and enhanced shrub growth. Monitoring these changes to inform land managers and decision makers is challenging due to the vast spatial extents involved and difficult access. Environmental monitoring in Canada's North is often based on local-scale measurements derived from aerial reconnaissance and photography, and ecological, hydrologic, and geologic sampling and surveying. Satellite remote sensing can provide a complementary tool for more spatially comprehensive monitoring but at coarser spatial resolutions. Satellite remote sensing has been used to map Arctic landscape changes related to vegetation productivity, lake expansion and drainage, glacier retreat, thermokarst, and wildfire activity. However, a current limitation with existing satellite-based techniques is the measurement gap between field measurements and high resolution satellite imagery. Bridging this gap is important for scaling up field measurements to landscape levels, and validating and calibrating satellite-based analyses. This gap can be filled to a certain extent using helicopter or fixed-wing aerial surveys, but at a cost that is often prohibitive. Unmanned aerial vehicle (UAV) technology has only recently progressed to the point where it can provide an inexpensive and efficient means of capturing imagery at this middle scale of measurement with detail that is adequate to interpret Arctic vegetation (i.e. 1-5 cm) and coverage that can be directly related to satellite imagery (1-10 km2). Unlike satellite measurements, UAVs permit frequent

  12. UAV PHOTOGRAMMETRY FOR MAPPING AND MONITORING OF NORTHERN PERMAFROST LANDSCAPES

    Directory of Open Access Journals (Sweden)

    R. H. Fraser

    2015-08-01

    Full Text Available Northern environments are changing in response to recent climate warming, resource development, and natural disturbances. The Arctic climate has warmed by 2–3°C since the 1950’s, causing a range of cryospheric changes including declines in sea ice extent, snow cover duration, and glacier mass, and warming permafrost. The terrestrial Arctic has also undergone significant temperature-driven changes in the form of increased thermokarst, larger tundra fires, and enhanced shrub growth. Monitoring these changes to inform land managers and decision makers is challenging due to the vast spatial extents involved and difficult access. Environmental monitoring in Canada’s North is often based on local-scale measurements derived from aerial reconnaissance and photography, and ecological, hydrologic, and geologic sampling and surveying. Satellite remote sensing can provide a complementary tool for more spatially comprehensive monitoring but at coarser spatial resolutions. Satellite remote sensing has been used to map Arctic landscape changes related to vegetation productivity, lake expansion and drainage, glacier retreat, thermokarst, and wildfire activity. However, a current limitation with existing satellite-based techniques is the measurement gap between field measurements and high resolution satellite imagery. Bridging this gap is important for scaling up field measurements to landscape levels, and validating and calibrating satellite-based analyses. This gap can be filled to a certain extent using helicopter or fixed-wing aerial surveys, but at a cost that is often prohibitive. Unmanned aerial vehicle (UAV technology has only recently progressed to the point where it can provide an inexpensive and efficient means of capturing imagery at this middle scale of measurement with detail that is adequate to interpret Arctic vegetation (i.e. 1–5 cm and coverage that can be directly related to satellite imagery (1–10 km2. Unlike satellite measurements

  13. How animals distribute themselves in space: variable energy landscapes

    OpenAIRE

    Masello, Juan F.; Kato, Akiko; Sommerfeld, Julia; Mattern, Thomas; Quillfeldt, Petra

    2017-01-01

    Background Foraging efficiency determines whether animals will be able to raise healthy broods, maintain their own condition, avoid predators and ultimately increase their fitness. Using accelerometers and GPS loggers, features of the habitat and the way animals deal with variable conditions can be translated into energetic costs of movement, which, in turn, can be translated to energy landscapes.We investigated energy landscapes in Gentoo Penguins Pygoscelis papua from two colonies at New Is...

  14. Ideal glass transitions in thin films: An energy landscape perspective

    OpenAIRE

    Truskett, Thomas M.; Ganesan, Venkat

    2003-01-01

    We introduce a mean-field model for the potential energy landscape of a thin fluid film confined between parallel substrates. The model predicts how the number of accessible basins on the energy landscape and, consequently, the film's ideal glass transition temperature depend on bulk pressure, film thickness, and the strength of the fluid-fluid and fluid-substrate interactions. The predictions are in qualitative agreement with the experimental trends for the kinetic glass transition temperatu...

  15. Ideal glass transitions in thin films: An energy landscape perspective

    Science.gov (United States)

    Truskett, Thomas M.; Ganesan, Venkat

    2003-07-01

    We introduce a mean-field model for the potential energy landscape of a thin fluid film confined between parallel substrates. The model predicts how the number of accessible basins on the energy landscape and, consequently, the film's ideal glass transition temperature depend on bulk pressure, film thickness, and the strength of the fluid-fluid and fluid-substrate interactions. The predictions are in qualitative agreement with the experimental trends for the kinetic glass transition temperature of thin films, suggesting the utility of landscape-based approaches for studying the behavior of confined fluids.

  16. Discrete kinetic models from funneled energy landscape simulations.

    Directory of Open Access Journals (Sweden)

    Nicholas P Schafer

    Full Text Available A general method for facilitating the interpretation of computer simulations of protein folding with minimally frustrated energy landscapes is detailed and applied to a designed ankyrin repeat protein (4ANK. In the method, groups of residues are assigned to foldons and these foldons are used to map the conformational space of the protein onto a set of discrete macrobasins. The free energies of the individual macrobasins are then calculated, informing practical kinetic analysis. Two simple assumptions about the universality of the rate for downhill transitions between macrobasins and the natural local connectivity between macrobasins lead to a scheme for predicting overall folding and unfolding rates, generating chevron plots under varying thermodynamic conditions, and inferring dominant kinetic folding pathways. To illustrate the approach, free energies of macrobasins were calculated from biased simulations of a non-additive structure-based model using two structurally motivated foldon definitions at the full and half ankyrin repeat resolutions. The calculated chevrons have features consistent with those measured in stopped flow chemical denaturation experiments. The dominant inferred folding pathway has an "inside-out", nucleation-propagation like character.

  17. The effects of landscaping on the residential cooling energy

    Science.gov (United States)

    Misni, A.

    2018-02-01

    This paper examines the effectiveness of landscaping on the air-conditioning energy saving of houses in a tropical environment. This case study involved looking at the construction and landscaping of three single-family houses in three sections of Shah Alam, Selangor, Malaysia. The houses ranged in age from 5 to 30 years old, which provided different examples of construction and maturity levels of the surrounding landscaping. Landscaping affects the thermal performance as well as on the air-conditioning energy of houses, in how it provides shade, channels wind, and evapotranspiration. While the construction of the three houses was similar, they were different in size and design, including their landscape design. These houses were chosen because they are representative of single-family tropical houses and landscaping styles in Malaysia since 30 years ago. Three houses were chosen; the 30-year-old house, the 10-year-old house, and the 5-year-old house. In a tropical country, landscaping is used to reduce the effects of the hot and humid climate. The houses spent 15-45% of the electricity cost on cooling. These results were influenced by human factors and the surrounding landscaping. Every type of vegetation, such as trees, grass, shrubs, groundcover, and turf, contributes to reducing air temperatures near the house and providing evaporative cooling.

  18. Random versus Deterministic Descent in RNA Energy Landscape Analysis

    Directory of Open Access Journals (Sweden)

    Luke Day

    2016-01-01

    Full Text Available Identifying sets of metastable conformations is a major research topic in RNA energy landscape analysis, and recently several methods have been proposed for finding local minima in landscapes spawned by RNA secondary structures. An important and time-critical component of such methods is steepest, or gradient, descent in attraction basins of local minima. We analyse the speed-up achievable by randomised descent in attraction basins in the context of large sample sets where the size has an order of magnitude in the region of ~106. While the gain for each individual sample might be marginal, the overall run-time improvement can be significant. Moreover, for the two nongradient methods we analysed for partial energy landscapes induced by ten different RNA sequences, we obtained that the number of observed local minima is on average larger by 7.3% and 3.5%, respectively. The run-time improvement is approximately 16.6% and 6.8% on average over the ten partial energy landscapes. For the large sample size we selected for descent procedures, the coverage of local minima is very high up to energy values of the region where the samples were randomly selected from the partial energy landscapes; that is, the difference to the total set of local minima is mainly due to the upper area of the energy landscapes.

  19. Potential energy landscape of TIP4P/2005 water

    Science.gov (United States)

    Handle, Philip H.; Sciortino, Francesco

    2018-04-01

    We report a numerical study of the statistical properties of the potential energy landscape of TIP4P/2005, one of the most accurate rigid water models. We show that, in the region where equilibrated configurations can be generated, a Gaussian landscape description is able to properly describe the model properties. We also find that the volume dependence of the landscape properties is consistent with the existence of a locus of density maxima in the phase diagram. The landscape-based equation of state accurately reproduces the TIP4P/2005 pressure-vs-volume curves, providing a sound extrapolation of the free-energy at low T. A positive-pressure liquid-liquid critical point is predicted by the resulting free-energy.

  20. New interaction paths in the energy landscape: the role of local energy initiatives

    NARCIS (Netherlands)

    de Boer, Jessica; Zuidema, Christian; Gugerell, Katharina

    2018-01-01

    Energy transition is an encompassing process which not only involves the energy system but also the landscape in which the energy system is embedded. Renewable energy is triggering new interactions with local landscapes in physical, socio-economic and institutional senses. We capture these

  1. Free energy landscape of a minimalist salt bridge model.

    Science.gov (United States)

    Li, Xubin; Lv, Chao; Corbett, Karen M; Zheng, Lianqing; Wu, Dongsheng; Yang, Wei

    2016-01-01

    Salt bridges are essential to protein stability and dynamics. Despite the importance, there has been scarce of detailed discussion on how salt bridge partners interact with each other in distinct solvent exposed environments. In this study, employing a recent generalized orthogonal space tempering (gOST) method, we enabled efficient molecular dynamics simulation of repetitive breaking and reforming of salt bridge structures within a minimalist salt-bridge model, the Asp-Arg dipeptide and thereby were able to map its detailed free energy landscape in aqueous solution. Free energy surface analysis shows that although individually-solvated states are more favorable, salt-bridge states still occupy a noticeable portion of the overall population. Notably, the competing forces, e.g. intercharge attractions that drive the formation of salt bridges and solvation forces that pull the charged groups away from each other, are energetically comparable. As the result, the salt bridge stability is highly tunable by local environments; for instance when local water molecules are perturbed to interact more strongly with each other, the population of the salt-bridge states is likely to increase. Our results reveal the critical role of local solvent structures in modulating salt-bridge partner interactions and imply the importance of water fluctuations on conformational dynamics that involves solvent accessible salt bridge formations. © 2015 The Protein Society.

  2. Energy landscapes for a machine learning application to series data

    Energy Technology Data Exchange (ETDEWEB)

    Ballard, Andrew J.; Stevenson, Jacob D.; Das, Ritankar; Wales, David J., E-mail: dw34@cam.ac.uk [University Chemical Laboratories, Lensfield Road, Cambridge CB2 1EW (United Kingdom)

    2016-03-28

    Methods developed to explore and characterise potential energy landscapes are applied to the corresponding landscapes obtained from optimisation of a cost function in machine learning. We consider neural network predictions for the outcome of local geometry optimisation in a triatomic cluster, where four distinct local minima exist. The accuracy of the predictions is compared for fits using data from single and multiple points in the series of atomic configurations resulting from local geometry optimisation and for alternative neural networks. The machine learning solution landscapes are visualised using disconnectivity graphs, and signatures in the effective heat capacity are analysed in terms of distributions of local minima and their properties.

  3. Energy landscapes for a machine learning application to series data

    International Nuclear Information System (INIS)

    Ballard, Andrew J.; Stevenson, Jacob D.; Das, Ritankar; Wales, David J.

    2016-01-01

    Methods developed to explore and characterise potential energy landscapes are applied to the corresponding landscapes obtained from optimisation of a cost function in machine learning. We consider neural network predictions for the outcome of local geometry optimisation in a triatomic cluster, where four distinct local minima exist. The accuracy of the predictions is compared for fits using data from single and multiple points in the series of atomic configurations resulting from local geometry optimisation and for alternative neural networks. The machine learning solution landscapes are visualised using disconnectivity graphs, and signatures in the effective heat capacity are analysed in terms of distributions of local minima and their properties.

  4. Inflation in random landscapes with two energy scales

    Science.gov (United States)

    Blanco-Pillado, Jose J.; Vilenkin, Alexander; Yamada, Masaki

    2018-02-01

    We investigate inflation in a multi-dimensional landscape with a hierarchy of energy scales, motivated by the string theory, where the energy scale of Kahler moduli is usually assumed to be much lower than that of complex structure moduli and dilaton field. We argue that in such a landscape, the dynamics of slow-roll inflation is governed by the low-energy potential, while the initial condition for inflation are determined by tunneling through high-energy barriers. We then use the scale factor cutoff measure to calculate the probability distribution for the number of inflationary e-folds and the amplitude of density fluctuations Q, assuming that the low-energy landscape is described by a random Gaussian potential with a correlation length much smaller than M pl. We find that the distribution for Q has a unique shape and a preferred domain, which depends on the parameters of the low-energy landscape. We discuss some observational implications of this distribution and the constraints it imposes on the landscape parameters.

  5. Integrated visions (part II): Envisioning Sustainable Energy Landscapes

    NARCIS (Netherlands)

    Stremke, S.; Koh, J.; Neven, C.T.; Boekel, A.

    2012-01-01

    ABSTRACT Climate change and resource depletion are driving the transition to renewable energy sources. Both the supply of renewables and the demand for energy are influenced by the physical environment and therefore concern spatial planning and landscape design. Envisioning the longterm development

  6. Inflation, Dark Matter, and Dark Energy in the String Landscape

    OpenAIRE

    Liddle, Andrew R; Ureña-López, L Arturo

    2006-01-01

    We consider the conditions needed to unify the description of dark matter, dark energy and inflation in the context of the string landscape. We find that incomplete decay of the inflaton field gives the possibility that a single field is responsible for all three phenomena. By contrast, unifying dark matter and dark energy into a single field, separate from the inflaton, appears rather difficult.

  7. Energy Landscapes for the Self-Assembly of Supramolecular Polyhedra

    Science.gov (United States)

    Russell, Emily R.; Menon, Govind

    2016-06-01

    We develop a mathematical model for the energy landscape of polyhedral supramolecular cages recently synthesized by self-assembly (Sun et al. in Science 328:1144-1147, 2010). Our model includes two essential features of the experiment: (1) geometry of the organic ligands and metallic ions; and (2) combinatorics. The molecular geometry is used to introduce an energy that favors square-planar vertices (modeling {Pd}^{2+} ions) and bent edges with one of two preferred opening angles (modeling boomerang-shaped ligands of two types). The combinatorics of the model involve two-colorings of edges of polyhedra with four-valent vertices. The set of such two-colorings, quotiented by the octahedral symmetry group, has a natural graph structure and is called the combinatorial configuration space. The energy landscape of our model is the energy of each state in the combinatorial configuration space. The challenge in the computation of the energy landscape is a combinatorial explosion in the number of two-colorings of edges. We describe sampling methods based on the symmetries of the configurations and connectivity of the configuration graph. When the two preferred opening angles encompass the geometrically ideal angle, the energy landscape exhibits a very low-energy minimum for the most symmetric configuration at equal mixing of the two angles, even when the average opening angle does not match the ideal angle.

  8. Mapping buried holocene landscapes. Past lowland environments, palaeoDEMs and preservation in GIS

    NARCIS (Netherlands)

    Cohen, K.M.; Dambrink, R.M.; Bruijn, R. de; Marges, V.C.; Erkens, G.; Pierik, H.J.; Koster, K.; Stafleu, J.; Schokker, J.; Hijma, M.P.

    2017-01-01

    In a geological GIS-data recombination project, a digital map was produced that contains information on the Netherlands’ former coastal and delta plain landscapes over the last 14,000 years: the Holocene and the very end of the Pleistocene. The polygon map product is accompanied by a set of

  9. Work on mapping the Landscape Arboretum in the Skripchinsky Stavropol Botanical Garden

    Directory of Open Access Journals (Sweden)

    Kotenko Yuliya Vladimirovna

    2016-12-01

    Full Text Available This article describes the steps of mapping the landscape arboretum. Landscape Arboretum is the core of the botanical garden, which includes all variety of introduced tree species. Graphic documents showing the location of each individual are an important factor in the conservation of biological diversity. The Botanical Garden archive stored topographical plans scale 1: 500, in the form of handwritten copies. They are the basis for mapping the territory. The mapping involves several stages: production of the paper base, field and office work. Visual and digital deliverable plans, are important to inventory of wood collections in the future.

  10. Learning free energy landscapes using artificial neural networks.

    Science.gov (United States)

    Sidky, Hythem; Whitmer, Jonathan K

    2018-03-14

    Existing adaptive bias techniques, which seek to estimate free energies and physical properties from molecular simulations, are limited by their reliance on fixed kernels or basis sets which hinder their ability to efficiently conform to varied free energy landscapes. Further, user-specified parameters are in general non-intuitive yet significantly affect the convergence rate and accuracy of the free energy estimate. Here we propose a novel method, wherein artificial neural networks (ANNs) are used to develop an adaptive biasing potential which learns free energy landscapes. We demonstrate that this method is capable of rapidly adapting to complex free energy landscapes and is not prone to boundary or oscillation problems. The method is made robust to hyperparameters and overfitting through Bayesian regularization which penalizes network weights and auto-regulates the number of effective parameters in the network. ANN sampling represents a promising innovative approach which can resolve complex free energy landscapes in less time than conventional approaches while requiring minimal user input.

  11. Learning free energy landscapes using artificial neural networks

    Science.gov (United States)

    Sidky, Hythem; Whitmer, Jonathan K.

    2018-03-01

    Existing adaptive bias techniques, which seek to estimate free energies and physical properties from molecular simulations, are limited by their reliance on fixed kernels or basis sets which hinder their ability to efficiently conform to varied free energy landscapes. Further, user-specified parameters are in general non-intuitive yet significantly affect the convergence rate and accuracy of the free energy estimate. Here we propose a novel method, wherein artificial neural networks (ANNs) are used to develop an adaptive biasing potential which learns free energy landscapes. We demonstrate that this method is capable of rapidly adapting to complex free energy landscapes and is not prone to boundary or oscillation problems. The method is made robust to hyperparameters and overfitting through Bayesian regularization which penalizes network weights and auto-regulates the number of effective parameters in the network. ANN sampling represents a promising innovative approach which can resolve complex free energy landscapes in less time than conventional approaches while requiring minimal user input.

  12. The German energy landscape in 2015

    International Nuclear Information System (INIS)

    Lauer, Hartmut

    2016-01-01

    This article proposes a brief overview of the German energy sector: stagnation of primary energy consumption, shares of the different energy sources (renewable, coal, lignite, oil, gas, nuclear), shares of the different electric power production sources and their recent evolution. It evokes issues related to the objectives defined for energy transition, the high level of renewable energy production and the high level of power exports. It outlines that consumption must be reduced to reach the objectives defined for 2020. It notices a stagnation of the energy system de-carbonation, and comments the evolution of electricity prices

  13. Financial landscapes reconstructed: the fine art of mapping development.

    NARCIS (Netherlands)

    Bouman, F.J.A.; Hospes, O.

    1994-01-01

    This book contains a collection of readings on financial intermediation for which the landscape is designedly chosen as a metaphor, to stimulate reflection on all the critical dimensions of financial and quasi-financial services in the processes of development. The metaphor is not only used to

  14. Sustainable energy landscapes: The power of imagination

    NARCIS (Netherlands)

    Stremke, S.

    2012-01-01

    Resource depletion and climate change motivate a transition to sustainable energy systems that make effective use of renewable sources. Sustainable energy transition necessitates a transformation of large parts of the existing built environment and presents one of the great challenges of present-day

  15. Membranes: A Variety of Energy Landscapes for Many Transfer Opportunities.

    Science.gov (United States)

    Bacchin, Patrice

    2018-02-22

    A membrane can be represented by an energy landscape that solutes or colloids must cross. A model accounting for the momentum and the mass balances in the membrane energy landscape establishes a new way of writing for the Darcy law. The counter-pressure in the Darcy law is no longer written as the result of an osmotic pressure difference but rather as a function of colloid-membrane interactions. The ability of the model to describe the physics of the filtration is discussed in detail. This model is solved in a simplified energy landscape to derive analytical relationships that describe the selectivity and the counter-pressure from ab initio operating conditions. The model shows that the stiffness of the energy landscape has an impact on the process efficiency: a gradual increase in interactions (such as with hourglass pore shape) can reduce the separation energetic cost. It allows the introduction of a new paradigm to increase membrane efficiency: the accumulation that is inherent to the separation must be distributed across the membrane. Asymmetric interactions thus lead to direction-dependent transfer properties and the membrane exhibits diode behavior. These new transfer opportunities are discussed.

  16. Landscape epidemiology: An emerging perspective in the mapping and modelling of disease and disease risk factors

    Directory of Open Access Journals (Sweden)

    Nnadi Nnaemeka Emmanuel

    2011-09-01

    Full Text Available Landscape epidemiology describes how the temporal dynamics of host, vector, and pathogen populations interact spatially within a permissive environment to enable transmission. It also aims at understanding the vegetation and geologic conditions that are necessary for the maintenance and transmission of a particular pathogen. The current review describes the evolution of landscape epidemiology. As a science, it also highlights the various methods of mapping and modeling diseases and disease risk factors. The key tool to characterize landscape is satellite remote sensing and these data are used as inputs to drive spatial models of transmission risk.

  17. Evaluating the landscape impact of renewable energy plants

    Science.gov (United States)

    Ioannidis, Romanos; Koutsoyiannis, Demetris

    2017-04-01

    Different types of renewable energy have been on an ongoing competition with each other. There has been a lot of research comparing the most common types of renewable energy plants in relation with their efficiency, cost and environmental impact. However, few papers so far have attempted to analyse their impact on landscape and there has never been in depth research on which type of renewable energy causes the least impact on the natural, cultural and aesthetic characteristics of a landscape. This seems to be a significant omission given the vast areas of land already covered with renewable energy plants and the worldwide plans for many more renewable energy projects in the future. Meanwhile, the low aesthetic quality of renewable energy plants has already been an obstacle to their further development, with several relevant examples from countries such as Spain and the Netherlands. There have even been cases where aesthetic degradation is the primary or even the single argument of the opposition to proposed plants. In any case, the aesthetic design and the integration of renewable energy plants into the landscape should really be important design parameters if we plan those projects to truly be sustainable and to be considered complete works of engineering. To initiate dialogue over those aspects of renewable energy, we provide a first comparison on hydro, solar and wind energy. To materialize this comparison, we use data from existing dams, photovoltaic and wind farms. Initially, the average area per MW covered by each type of energy plant is calculated and then evaluated qualitatively from a landscape-impact perspective. Although the area affected is comparable in these three cases, the analysis of the data suggests that dams offer a considerable amount of advantages compared to the other two types of plants. This conclusion arises from the fact that dams, whose basic impact to the landscape is the creation of an artificial lake, contribute much less to the

  18. Comparison of Recent Oil and Gas, Wind Energy, and Other Anthropogenic Landscape Alteration Factors in Texas Through 2014.

    Science.gov (United States)

    Pierre, Jon Paul; Wolaver, Brad D; Labay, Benjamin J; LaDuc, Travis J; Duran, Charles M; Ryberg, Wade A; Hibbitts, Toby J; Andrews, John R

    2018-05-01

    Recent research assessed how hydrocarbon and wind energy expansion has altered the North American landscape. Less understood, however, is how this energy development compares to other anthropogenic land use changes. Texas leads U.S. hydrocarbon production and wind power generation and has a rapidly expanding population. Thus, for ~47% of Texas (~324,000 km 2 ), we mapped the 2014 footprint of energy activities (~665,000 oil and gas wells, ~5700 wind turbines, ~237,000 km oil and gas pipelines, and ~2000 km electrical transmission lines). We compared the footprint of energy development to non-energy-related activities (agriculture, roads, urbanization) and found direct landscape alteration from all factors affects ~23% of the study area (~76,000 km 2 ), led by agriculture (~16%; ~52,882 km 2 ). Oil and gas activities altered turbine pads and ~10 km 2 from power transmission lines. We found that edge effects of widely-distributed energy infrastructure caused more indirect landscape alteration than larger, more concentrated urbanization and agriculture. This study presents a novel technique to quantify and compare anthropogenic activities causing both direct and indirect landscape alteration. We illustrate this landscape-mapping framework in Texas for the Spot-tailed Earless Lizard (Holbrookia lacerata); however, the approach can be applied to a range of species in developing regions globally.

  19. Energy Landscape of Pentapeptides in a Higher-Order (ϕ,ψ Conformational Subspace

    Directory of Open Access Journals (Sweden)

    Karim M. ElSawy

    2016-01-01

    Full Text Available The potential energy landscape of pentapeptides was mapped in a collective coordinate principal conformational subspace derived from principal component analysis of a nonredundant representative set of protein structures from the PDB. Three pentapeptide sequences that are known to be distinct in terms of their secondary structure characteristics, (Ala5, (Gly5, and Val.Asn.Thr.Phe.Val, were considered. Partitioning the landscapes into different energy valleys allowed for calculation of the relative propensities of the peptide secondary structures in a statistical mechanical framework. The distribution of the observed conformations of pentapeptide data showed good correspondence to the topology of the energy landscape of the (Ala5 sequence where, in accord with reported trends, the α-helix showed a predominant propensity at 298 K. The topography of the landscapes indicates that the stabilization of the α-helix in the (Ala5 sequence is enthalpic in nature while entropic factors are important for stabilization of the β-sheet in the Val.Asn.Thr.Phe.Val sequence. The results indicate that local interactions within small pentapeptide segments can lead to conformational preference of one secondary structure over the other where account of conformational entropy is important in order to reveal such preference. The method, therefore, can provide critical structural information for ab initio protein folding methods.

  20. Free-energy landscape of a hyperstable RNA tetraloop.

    Science.gov (United States)

    Miner, Jacob C; Chen, Alan A; García, Angel E

    2016-06-14

    We report the characterization of the energy landscape and the folding/unfolding thermodynamics of a hyperstable RNA tetraloop obtained through high-performance molecular dynamics simulations at microsecond timescales. Sampling of the configurational landscape is conducted using temperature replica exchange molecular dynamics over three isochores at high, ambient, and negative pressures to determine the thermodynamic stability and the free-energy landscape of the tetraloop. The simulations reveal reversible folding/unfolding transitions of the tetraloop into the canonical A-RNA conformation and the presence of two alternative configurations, including a left-handed Z-RNA conformation and a compact purine Triplet. Increasing hydrostatic pressure shows a stabilizing effect on the A-RNA conformation and a destabilization of the left-handed Z-RNA. Our results provide a comprehensive description of the folded free-energy landscape of a hyperstable RNA tetraloop and highlight the significant advances of all-atom molecular dynamics in describing the unbiased folding of a simple RNA secondary structure motif.

  1. Outlining an analytical framework for mapping research evaluation landscapes

    Energy Technology Data Exchange (ETDEWEB)

    Åström, F.

    2016-07-01

    This paper suggests an infrastructure perspective, as suggested by Star and Bowker (2006), as an analytical framework for studying the research evaluation landscape. An infrastructure is suggested to be understood, not as a concrete technology, but as a system of contextual factors including ‘Actors/Stakeholders’, ‘Technical systems’, and ‘Evaluation practices’. How the framework can be operationationalized is exemplified by examples from previous and ongoing research, as well as by identify gaps in current research. (Author)

  2. Sources to the landscape - detailed spatiotemporal analysis of 200 years Danish landscape dynamics using unexploited historical maps and aerial photos

    DEFF Research Database (Denmark)

    Svenningsen, Stig Roar; Christensen, Andreas Aagaard; Dupont, Henrik

    to declassification of military maps and aerial photos from the cold war, only relatively few sources have been made available to researchers due to lacking efforts in digitalization and related services. And even though the digitizing of cartographic material has been accelerated, the digitally available materials...... or to the commercial photo series from the last 20 years. This poster outlines a new research project focusing on the potential of unexploited cartographic sources for detailed analysis of the dynamic of the Danish landscape between 1800 – 2000. The project draws on cartographic sources available in Danish archives...... of material in landscape change studies giving a high temporal and spatial resolution. The project also deals with the opportunity and constrain of comparing different cartographic sources with diverse purpose and time of production, e.g. different scale and quality of aerial photos or the difference between...

  3. Physics landscape-fixed target energies

    International Nuclear Information System (INIS)

    Berger, E.L.

    1989-10-01

    An introductory review is presented of physics issues and opportunities at Fermilab fixed-target energies. Included are discussions of precision electroweak studies; deep inelastic lepton scattering; heavy quark production, spectroscopy, and decays; perturbative QCD; prompt photon production; massive lepton production; and spin dependence. 79 refs., 7 figs

  4. Energy landscapes of resting-state brain networks

    Directory of Open Access Journals (Sweden)

    Takamitsu eWatanabe

    2014-02-01

    Full Text Available During rest, the human brain performs essential functions such as memory maintenance, which are associated with resting-state brain networks (RSNs including the default-mode network (DMN and frontoparietal network (FPN. Previous studies based on spiking-neuron network models and their reduced models, as well as those based on imaging data, suggest that resting-state network activity can be captured as attractor dynamics, i.e., dynamics of the brain state toward an attractive state and transitions between different attractors. Here, we analyze the energy landscapes of the RSNs by applying the maximum entropy model, or equivalently the Ising spin model, to human RSN data. We use the previously estimated parameter values to define the energy landscape, and the disconnectivity graph method to estimate the number of local energy minima (equivalent to attractors in attractor dynamics, the basin size, and hierarchical relationships among the different local minima. In both of the DMN and FPN, low-energy local minima tended to have large basins. A majority of the network states belonged to a basin of one of a few local minima. Therefore, a small number of local minima constituted the backbone of each RSN. In the DMN, the energy landscape consisted of two groups of low-energy local minima that are separated by a relatively high energy barrier. Within each group, the activity patterns of the local minima were similar, and different minima were connected by relatively low energy barriers. In the FPN, all dominant energy were separated by relatively low energy barriers such that they formed a single coarse-grained global minimum. Our results indicate that multistable attractor dynamics may underlie the DMN, but not the FPN, and assist memory maintenance with different memory states.

  5. Landscape Hazards in Yukon Communities: Geological Mapping for Climate Change Adaptation Planning

    Science.gov (United States)

    Kennedy, K.; Kinnear, L.

    2010-12-01

    Climate change is considered to be a significant challenge for northern communities where the effects of increased temperature and climate variability are beginning to affect infrastructure and livelihoods (Arctic Climate Impact Assessment, 2004). Planning for and adapting to ongoing and future changes in climate will require the identification and characterization of social, economic, cultural, political and biophysical vulnerabilities. This pilot project addresses physical landscape vulnerabilities in two communities in the Yukon Territory through community-scale landscape hazard mapping and focused investigations of community permafrost conditions. Landscape hazards are identified by combining pre-existing data from public utilities and private-sector consultants with new geophysical techniques (ground penetrating radar and electrical resistivity), shallow drilling, surficial geological mapping, and permafrost characterization. Existing landscape vulnerabilities are evaluated based on their potential for hazard (low, medium or high) under current climate conditions, as well as under future climate scenarios. Detailed hazard maps and landscape characterizations for both communities will contribute to overall adaptation plans and allow for informed development, planning and mitigation of potentially threatening hazards in and around the communities.

  6. Digital Soil Mapping Using Landscape Stratification for Arid Rangelands in the Eastern Great Basin, Central Utah

    OpenAIRE

    Fonnesbeck, Brook B.

    2015-01-01

    Digital soil mapping typically involves inputs of digital elevation models, remotely sensed imagery, and other spatially explicit digital data as environmental covariates to predict soil classes and attributes over a landscape using statistical models. Digital imagery from Landsat 5, a digital elevation model, and a digital geology map were used as environmental covariates in a 67,000-ha study area of the Great Basin west of Fillmore, UT. A “pre-map” was created for selecting sampling locatio...

  7. Mapping the Future of Renewable Energy

    Energy Technology Data Exchange (ETDEWEB)

    2016-06-01

    This EC-LEDS fact sheet describes the NREL Geospatial Toolkit (GsT), an open-source, map-based software application that provide an intuitive, user-friendly interface for visualizing data and renewable energy potential. The GsT is a country-specific tool that maps renewable energy resources (e.g., for solar, wind, and biomass) in relation to enabling infrastructure like roads and transmission lines, providing necessary information for deploying new clean energy generation.

  8. Power Lines: The Rhetoric of Maps as Social Change in the Post-Cold War Landscape

    Science.gov (United States)

    Barney, Timothy

    2009-01-01

    After the fall of the Berlin Wall and the collapse of state socialism in Eastern and Central Europe, cartographers were faced with choices on how the new post-Cold War political landscape would be mapped. One such group called the Pluto Project had been producing atlases since 1981 with a progressive point of view about the nature of state power…

  9. Measuring the attractiveness of Dutch landscapes: identifying national hotspots using Google Maps

    NARCIS (Netherlands)

    De Vries, Sjerp; Buijs, Arjen; Langers, Fransje; Farjon, H.; van Hinsberg, Arjen; Sijtsma, Frans

    2013-01-01

    In a Cost-Benefit Analysis (CBA) or an Environmental Impact Assessment (EIA), determining the value that the general public attaches to a landscape is often problematic. To aid the inclusion of this social value in such analyses, a Google Maps-based tool, called the HotSpotMonitor (HSM), was

  10. Snow-covered Landsat time series stacks improve automated disturbance mapping accuracy in forested landscapes

    Science.gov (United States)

    Kirk M. Stueve; Ian W. Housman; Patrick L. Zimmerman; Mark D. Nelson; Jeremy B. Webb; Charles H. Perry; Robert A. Chastain; Dale D. Gormanson; Chengquan Huang; Sean P. Healey; Warren B. Cohen

    2011-01-01

    Accurate landscape-scale maps of forests and associated disturbances are critical to augment studies on biodiversity, ecosystem services, and the carbon cycle, especially in terms of understanding how the spatial and temporal complexities of damage sustained from disturbances influence forest structure and function. Vegetation change tracker (VCT) is a highly automated...

  11. Information Landscaping: Information Mapping, Charting, Querying and Reporting Techniques for Total Quality Knowledge Management.

    Science.gov (United States)

    Tsai, Bor-sheng

    2003-01-01

    Total quality management and knowledge management are merged and used as a conceptual model to direct and develop information landscaping techniques through the coordination of information mapping, charting, querying, and reporting. Goals included: merge citation analysis and data mining, and apply data visualization and information architecture…

  12. Mapping the future: U.S. exposure to multiple landscape stressors

    Science.gov (United States)

    Marie Oliver; Becky Kerns; John Kim; Jeff. Kline

    2017-01-01

    Landscape exposure to multiple stressors can pose risks to human health, biodiversity, and ecosystem services. Attempts to study, control, or mitigate these stressors can strain public and private budgets. An interdisciplinary team of Pacific Northwest Research Station and Oregon State University scientists created maps of the conterminous United States that indicate...

  13. Comparing the Folding and Misfolding Energy Landscapes of Phosphoglycerate Kinase

    OpenAIRE

    Agocs, Gergely; Szabo, Bence T.; Koehler, Gottfried; Osvath, Szabolcs

    2012-01-01

    Partitioning of polypeptides between protein folding and amyloid formation is of outstanding pathophysiological importance. Using yeast phosphoglycerate kinase as model, here we identify the features of the energy landscape that decide the fate of the protein: folding or amyloidogenesis. Structure formation was initiated from the acid-unfolded state, and monitored by fluorescence from 10 ms to 20 days. Solvent conditions were gradually shifted between folding and amyloidogenesis, and the prop...

  14. Energy landscape scheme for an intuitive understanding of complex domain dynamics in ferroelectric thin films.

    Science.gov (United States)

    Kim, Tae Heon; Yoon, Jong-Gul; Baek, Seung Hyub; Park, Woong-kyu; Yang, Sang Mo; Yup Jang, Seung; Min, Taeyuun; Chung, Jin-Seok; Eom, Chang-Beom; Noh, Tae Won

    2015-07-01

    Fundamental understanding of domain dynamics in ferroic materials has been a longstanding issue because of its relevance to many systems and to the design of nanoscale domain-wall devices. Despite many theoretical and experimental studies, a full understanding of domain dynamics still remains incomplete, partly due to complex interactions between domain-walls and disorder. We report domain-shape-preserving deterministic domain-wall motion, which directly confirms microscopic return point memory, by observing domain-wall breathing motion in ferroelectric BiFeO3 thin film using stroboscopic piezoresponse force microscopy. Spatial energy landscape that provides new insights into domain dynamics is also mapped based on the breathing motion of domain walls. The evolution of complex domain structure can be understood by the process of occupying the lowest available energy states of polarization in the energy landscape which is determined by defect-induced internal fields. Our result highlights a pathway for the novel design of ferroelectric domain-wall devices through the engineering of energy landscape using defect-induced internal fields such as flexoelectric fields.

  15. Energy landscape scheme for an intuitive understanding of complex domain dynamics in ferroelectric thin films

    Science.gov (United States)

    Heon Kim, Tae; Yoon, Jong-Gul; Hyub Baek, Seung; Park, Woong-Kyu; Mo Yang, Sang; Yup Jang, Seung; Min, Taeyuun; Chung, Jin-Seok; Eom, Chang-Beom; Won Noh, Tae

    2015-07-01

    Fundamental understanding of domain dynamics in ferroic materials has been a longstanding issue because of its relevance to many systems and to the design of nanoscale domain-wall devices. Despite many theoretical and experimental studies, a full understanding of domain dynamics still remains incomplete, partly due to complex interactions between domain-walls and disorder. We report domain-shape-preserving deterministic domain-wall motion, which directly confirms microscopic return point memory, by observing domain-wall breathing motion in ferroelectric BiFeO3 thin film using stroboscopic piezoresponse force microscopy. Spatial energy landscape that provides new insights into domain dynamics is also mapped based on the breathing motion of domain walls. The evolution of complex domain structure can be understood by the process of occupying the lowest available energy states of polarization in the energy landscape which is determined by defect-induced internal fields. Our result highlights a pathway for the novel design of ferroelectric domain-wall devices through the engineering of energy landscape using defect-induced internal fields such as flexoelectric fields.

  16. Mapping the conformational free energy of aspartic acid in the gas phase and in aqueous solution.

    Science.gov (United States)

    Comitani, Federico; Rossi, Kevin; Ceriotti, Michele; Sanz, M Eugenia; Molteni, Carla

    2017-04-14

    The conformational free energy landscape of aspartic acid, a proteogenic amino acid involved in a wide variety of biological functions, was investigated as an example of the complexity that multiple rotatable bonds produce even in relatively simple molecules. To efficiently explore such a landscape, this molecule was studied in the neutral and zwitterionic forms, in the gas phase and in water solution, by means of molecular dynamics and the enhanced sampling method metadynamics with classical force-fields. Multi-dimensional free energy landscapes were reduced to bi-dimensional maps through the non-linear dimensionality reduction algorithm sketch-map to identify the energetically stable conformers and their interconnection paths. Quantum chemical calculations were then performed on the minimum free energy structures. Our procedure returned the low energy conformations observed experimentally in the gas phase with rotational spectroscopy [M. E. Sanz et al., Phys. Chem. Chem. Phys. 12, 3573 (2010)]. Moreover, it provided information on higher energy conformers not accessible to experiments and on the conformers in water. The comparison between different force-fields and quantum chemical data highlighted the importance of the underlying potential energy surface to accurately capture energy rankings. The combination of force-field based metadynamics, sketch-map analysis, and quantum chemical calculations was able to produce an exhaustive conformational exploration in a range of significant free energies that complements the experimental data. Similar protocols can be applied to larger peptides with complex conformational landscapes and would greatly benefit from the next generation of accurate force-fields.

  17. Mapping the conformational free energy of aspartic acid in the gas phase and in aqueous solution

    Science.gov (United States)

    Comitani, Federico; Rossi, Kevin; Ceriotti, Michele; Sanz, M. Eugenia; Molteni, Carla

    2017-04-01

    The conformational free energy landscape of aspartic acid, a proteogenic amino acid involved in a wide variety of biological functions, was investigated as an example of the complexity that multiple rotatable bonds produce even in relatively simple molecules. To efficiently explore such a landscape, this molecule was studied in the neutral and zwitterionic forms, in the gas phase and in water solution, by means of molecular dynamics and the enhanced sampling method metadynamics with classical force-fields. Multi-dimensional free energy landscapes were reduced to bi-dimensional maps through the non-linear dimensionality reduction algorithm sketch-map to identify the energetically stable conformers and their interconnection paths. Quantum chemical calculations were then performed on the minimum free energy structures. Our procedure returned the low energy conformations observed experimentally in the gas phase with rotational spectroscopy [M. E. Sanz et al., Phys. Chem. Chem. Phys. 12, 3573 (2010)]. Moreover, it provided information on higher energy conformers not accessible to experiments and on the conformers in water. The comparison between different force-fields and quantum chemical data highlighted the importance of the underlying potential energy surface to accurately capture energy rankings. The combination of force-field based metadynamics, sketch-map analysis, and quantum chemical calculations was able to produce an exhaustive conformational exploration in a range of significant free energies that complements the experimental data. Similar protocols can be applied to larger peptides with complex conformational landscapes and would greatly benefit from the next generation of accurate force-fields.

  18. Accelerated weight histogram method for exploring free energy landscapes

    Energy Technology Data Exchange (ETDEWEB)

    Lindahl, V.; Lidmar, J.; Hess, B. [Department of Theoretical Physics and Swedish e-Science Research Center, KTH Royal Institute of Technology, 10691 Stockholm (Sweden)

    2014-07-28

    Calculating free energies is an important and notoriously difficult task for molecular simulations. The rapid increase in computational power has made it possible to probe increasingly complex systems, yet extracting accurate free energies from these simulations remains a major challenge. Fully exploring the free energy landscape of, say, a biological macromolecule typically requires sampling large conformational changes and slow transitions. Often, the only feasible way to study such a system is to simulate it using an enhanced sampling method. The accelerated weight histogram (AWH) method is a new, efficient extended ensemble sampling technique which adaptively biases the simulation to promote exploration of the free energy landscape. The AWH method uses a probability weight histogram which allows for efficient free energy updates and results in an easy discretization procedure. A major advantage of the method is its general formulation, making it a powerful platform for developing further extensions and analyzing its relation to already existing methods. Here, we demonstrate its efficiency and general applicability by calculating the potential of mean force along a reaction coordinate for both a single dimension and multiple dimensions. We make use of a non-uniform, free energy dependent target distribution in reaction coordinate space so that computational efforts are not wasted on physically irrelevant regions. We present numerical results for molecular dynamics simulations of lithium acetate in solution and chignolin, a 10-residue long peptide that folds into a β-hairpin. We further present practical guidelines for setting up and running an AWH simulation.

  19. Polyomaviridae Assembly Polymorphism from an Energy Landscape Perspective

    Directory of Open Access Journals (Sweden)

    Karim M. ElSawy

    2008-01-01

    Full Text Available Polyomaviridae assemble in vitro into different aggregates depending on experimental conditions. We use an energy landscape approach using empirical energy calculations to quantify how the formation of these different aggregates depends on pH, the presence of bound calcium ions and disulfide linkages. Computations are carried out for SV40, a member of the Polyomaviridae family and are based on the binding free energy landscape of three distinct trimers of pentamers that correspond to the different bonding configurations between the capsid proteins observed in its crystal structure. Our computational analysis shows that the energetics of one of these environments is pivotal for the polymorphic assembly behaviour of SV40, whilst the binding energy landscapes of the other two environments are broadly funnel-shaped and thus contribute little to the formation of particles other than virus-like particles (VLP. We have quantified how the existence of bound calcium ions in the absence of disulfide linkages enhances the binding free energies of all three environments and hence, favours the assembly of VLPs. Moreover, estimation of the relative binding free energies of the three environments at pH 5 and pH 8 reveals that they are destabilized at pH 5 relative to pH 8. The extent of this destabilization is dependent on the presence of disulfide linkages and bound calcium ions and accounts for the experimentally observed polymorphic behaviour of VP1 proteins at pH 5. Interestingly, concurrent existence of bound calcium ions and disulfide linkages is found to be destabilizing and thus may disrupt the assembly of VLPs at pH 8.

  20. Free Energy Landscapes of Alanine Oligopeptides in Rigid-Body and Hybrid Water Models.

    Science.gov (United States)

    Nayar, Divya; Chakravarty, Charusita

    2015-08-27

    Replica exchange molecular dynamics is used to study the effect of different rigid-body (mTIP3P, TIP4P, SPC/E) and hybrid (H1.56, H3.00) water models on the conformational free energy landscape of the alanine oligopeptides (acAnme and acA5nme), in conjunction with the CHARMM22 force field. The free energy landscape is mapped out as a function of the Ramachandran angles. In addition, various secondary structure metrics, solvation shell properties, and the number of peptide-solvent hydrogen bonds are monitored. Alanine dipeptide is found to have similar free energy landscapes in different solvent models, an insensitivity which may be due to the absence of possibilities for forming i-(i + 4) or i-(i + 3) intrapeptide hydrogen bonds. The pentapeptide, acA5nme, where there are three intrapeptide backbone hydrogen bonds, shows a conformational free energy landscape with a much greater degree of sensitivity to the choice of solvent model, though the three rigid-body water models differ only quantitatively. The pentapeptide prefers nonhelical, non-native PPII and β-sheet populations as the solvent is changed from SPC/E to the less tetrahedral liquid (H1.56) to an LJ-like liquid (H3.00). The pentapeptide conformational order metrics indicate a preference for open, solvent-exposed, non-native structures in hybrid solvent models at all temperatures of study. The possible correlations between the properties of solvent models and secondary structure preferences of alanine oligopeptides are discussed, and the competition between intrapeptide, peptide-solvent, and solvent-solvent hydrogen bonding is shown to be crucial in the relative free energies of different conformers.

  1. Mapping the Landscape and Evolutions of Green Supply Chain Management

    Directory of Open Access Journals (Sweden)

    Wei Shan

    2018-02-01

    Full Text Available There is a growing need to integrate environmental considerations into supply chain management research and practice. Conceptual papers are being updated all the time to gain a systematic view of the framework in green supply chain management. The purpose of this paper is to visualize the research to-date on green supply chain management according to the intellectual framework and hot topics. Using bibliometric analysis, our paper will present a comprehensive summary of previous research on the knowledge domain. Exploring 1145 papers mainly published from 2000 to May 2017 in international peer-reviewed journals from social sciences citation index (SSCI, the basic distribution of publications are analyzed, and nine prominent research clusters in green supply chain management are visualized by a co-citation network. Key issues are highlighted and analyzed. As for future inquiries, there are numerous opportunities for more advanced theoretically-grounded research and exploration of more multi-functional and systematic approaches. In order to gain broader views of research, a triple bottom line approach can be widely applied to evaluation, impact mechanisms, decision making, drivers, risks and carrier analysis, as well as system contributions. This also provides an integrated point of view to understand the landscape of green supply chain management both for researchers and practitioners.

  2. Mapping landscape units in Galicia (Spain: A first step for assessment and management?

    Directory of Open Access Journals (Sweden)

    Corbelle-Rico Eduardo

    2017-12-01

    Full Text Available In the beginning of 2015, the Regional Administration of Galicia (NW Spain set the requirements for a map of landscape units: it had to be produced in less than 3 months, it should cover the whole territory of the region (29,574 km², and it should be useful for management at a scale of 1:25,000. With these objectives in mind, we pro- posed a semiautomatic mapping methodology entirely based on the use of free software (GRASS GIS and already available cartographic information. Semi-automatic classification of different land-use patterns was at the heart of the proposed process. Consultation with experts of different academic background took place along the project. This consultation process allowed to identify both problems and opportunities. As it could be expected, the diverse epistemic community represented by the expert panel implied that one of the main challenges was to reach consensus on the understanding of the concept of landscape and the decisions leading to the mapping methodology proposed in this paper. This initiated a very interesting debate that, in our view, was centred around three main issues: the approach to the landscape, the purpose of the mapping exercise, and the ability to include subjectivity into the analysis.

  3. Characterizing structural transitions using localized free energy landscape analysis.

    Directory of Open Access Journals (Sweden)

    Nilesh K Banavali

    Full Text Available Structural changes in molecules are frequently observed during biological processes like replication, transcription and translation. These structural changes can usually be traced to specific distortions in the backbones of the macromolecules involved. Quantitative energetic characterization of such distortions can greatly advance the atomic-level understanding of the dynamic character of these biological processes.Molecular dynamics simulations combined with a variation of the Weighted Histogram Analysis Method for potential of mean force determination are applied to characterize localized structural changes for the test case of cytosine (underlined base flipping in a GTCAGCGCATGG DNA duplex. Free energy landscapes for backbone torsion and sugar pucker degrees of freedom in the DNA are used to understand their behavior in response to the base flipping perturbation. By simplifying the base flipping structural change into a two-state model, a free energy difference of upto 14 kcal/mol can be attributed to the flipped state relative to the stacked Watson-Crick base paired state. This two-state classification allows precise evaluation of the effect of base flipping on local backbone degrees of freedom.The calculated free energy landscapes of individual backbone and sugar degrees of freedom expectedly show the greatest change in the vicinity of the flipping base itself, but specific delocalized effects can be discerned upto four nucleotide positions away in both 5' and 3' directions. Free energy landscape analysis thus provides a quantitative method to pinpoint the determinants of structural change on the atomic scale and also delineate the extent of propagation of the perturbation along the molecule. In addition to nucleic acids, this methodology is anticipated to be useful for studying conformational changes in all macromolecules, including carbohydrates, lipids, and proteins.

  4. Genetic mapping uncovers cis-regulatory landscape of RNA editing.

    Science.gov (United States)

    Ramaswami, Gokul; Deng, Patricia; Zhang, Rui; Anna Carbone, Mary; Mackay, Trudy F C; Li, Jin Billy

    2015-09-16

    Adenosine-to-inosine (A-to-I) RNA editing, catalysed by ADAR enzymes conserved in metazoans, plays an important role in neurological functions. Although the fine-tuning mechanism provided by A-to-I RNA editing is important, the underlying rules governing ADAR substrate recognition are not well understood. We apply a quantitative trait loci (QTL) mapping approach to identify genetic variants associated with variability in RNA editing. With very accurate measurement of RNA editing levels at 789 sites in 131 Drosophila melanogaster strains, here we identify 545 editing QTLs (edQTLs) associated with differences in RNA editing. We demonstrate that many edQTLs can act through changes in the local secondary structure for edited dsRNAs. Furthermore, we find that edQTLs located outside of the edited dsRNA duplex are enriched in secondary structure, suggesting that distal dsRNA structure beyond the editing site duplex affects RNA editing efficiency. Our work will facilitate the understanding of the cis-regulatory code of RNA editing.

  5. Sustainable Energy Landscape: Implementing Energy Transition in the Physical Realm

    NARCIS (Netherlands)

    Stremke, S.

    2015-01-01

    Since the beginning of the new millennium, the concept of “energy landscape” is being discussed by academia from the environmental design domain while more and more practitioners have been contributing to sustainable energy transition. Yet, there remains some ambiguity as to what exactly is meant

  6. Time Series Analysis of Energy Production and Associated Landscape Fragmentation in the Eagle Ford Shale Play

    Science.gov (United States)

    Pierre, Jon Paul; Young, Michael H.; Wolaver, Brad D.; Andrews, John R.; Breton, Caroline L.

    2017-11-01

    Spatio-temporal trends in infrastructure footprints, energy production, and landscape alteration were assessed for the Eagle Ford Shale of Texas. The period of analysis was over four 2-year periods (2006-2014). Analyses used high-resolution imagery, as well as pipeline data to map EF infrastructure. Landscape conditions from 2006 were used as baseline. Results indicate that infrastructure footprints varied from 94.5 km2 in 2008 to 225.0 km2 in 2014. By 2014, decreased land-use intensities (ratio of land alteration to energy production) were noted play-wide. Core-area alteration by period was highest (3331.6 km2) in 2008 at the onset of play development, and increased from 582.3 to 3913.9 km2 by 2014, though substantial revegetation of localized core areas was observed throughout the study (i.e., alteration improved in some areas and worsened in others). Land-use intensity in the eastern portion of the play was consistently lower than that in the western portion, while core alteration remained relatively constant east to west. Land alteration from pipeline construction was 65 km2 for all time periods, except in 2010 when alteration was recorded at 47 km2. Percent of total alteration from well-pad construction increased from 27.3% in 2008 to 71.5% in 2014. The average number of wells per pad across all 27 counties increased from 1.15 to 1.7. This study presents a framework for mapping landscape alteration from oil and gas infrastructure development. However, the framework could be applied to other energy development programs, such as wind or solar fields, or any other regional infrastructure development program.

  7. Gregoriano cadastre (1818-35) from old maps to a GIS of historical landscape data

    Science.gov (United States)

    Frazzica, V.; Galletti, F.; Orciani, M.; Colosi, L.; Cartaro, A.

    2009-04-01

    Our analysis covered specifically an area located along the "internal Marche ridge" of the Apennines, in the province of Ancona (Marche Region, Italy). The cartographical working-out for our historical analysis has been conduct drawing up maps originating from the nineteenth century Gregoriano Cadastre (Catasto Gregoriano) maps preserved in the State Archive of Rome, which have been reproduced in digital format, georeferenced and vectorialized. With the creation of a database, it has been possible to add to the maps the information gathered from the property registers concerning crop production and socioeconomic variables, in order to set up a Geographical Information System (G.I.S.). The combination of the database with the digitalized maps has allowed to create an univocal relation between each parcel and the related historical data, obtaining an information system which integrally and completely evidences the original cadastre data as a final result. It was also possible to create a three-dimensional model of the historical landscapes which permits to visualize the cultural diversification of that historical period. The integration in Territorial Information System (S.I.T.) of historical information from Gregoriano Cadastre, of socio-economic analyses concerning business changes and in parallel the study of the transformations of territorial framework, showed to be a very important instrument for the area planning, allowing to identify specific planning approaches not only for urban settlement but also for restoration of variety and complexity of agricultural landscape. The work opens further research in various directions, identifying some pilot areas which test new managerial models, foreseeing simulation of management impacts both on business profitability and landscape configuration. The future development of the project is also the upgrade and evolution of the database, followed by the acquisition of data related to the following historical periods. It

  8. Analyzing Variability in Landscape Nutrient Loading Using Spatially-Explicit Maps in the Great Lakes Basin

    Science.gov (United States)

    Hamlin, Q. F.; Kendall, A. D.; Martin, S. L.; Whitenack, H. D.; Roush, J. A.; Hannah, B. A.; Hyndman, D. W.

    2017-12-01

    Excessive loading of nitrogen and phosphorous to the landscape has caused biologically and economically damaging eutrophication and harmful algal blooms in the Great Lakes Basin (GLB) and across the world. We mapped source-specific loads of nitrogen and phosphorous to the landscape using broadly available data across the GLB. SENSMap (Spatially Explicit Nutrient Source Map) is a 30m resolution snapshot of nutrient loads ca. 2010. We use these maps to study variable nutrient loading and provide this information to watershed managers through NOAA's GLB Tipping Points Planner. SENSMap individually maps nutrient point sources and six non-point sources: 1) atmospheric deposition, 2) septic tanks, 3) non-agricultural chemical fertilizer, 4) agricultural chemical fertilizer, 5) manure, and 6) nitrogen fixation from legumes. To model source-specific loads at high resolution, SENSMap synthesizes a wide range of remotely sensed, surveyed, and tabular data. Using these spatially explicit nutrient loading maps, we can better calibrate local land use-based water quality models and provide insight to watershed managers on how to focus nutrient reduction strategies. Here we examine differences in dominant nutrient sources across the GLB, and how those sources vary by land use. SENSMap's high resolution, source-specific approach offers a different lens to understand nutrient loading than traditional semi-distributed or land use based models.

  9. Comparing Kriging and Regression Approaches for Mapping Soil Clay Content in a diverse Danish Landscape

    DEFF Research Database (Denmark)

    Adhikari, Kabindra; Bou Kheir, Rania; Greve, Mette Balslev

    2013-01-01

    Information on the spatial variability of soil texture including soil clay content in a landscape is very important for agricultural and environmental use. Different prediction techniques are available to assess and map spatial variability of soil properties, but selecting the most suitable techn...... the prediction in OKst compared with that in OK, whereas RT showed the lowest performance of all (R2 = 0.52; RMSE = 0.52; and RPD = 1.17). We found RKrr to be an effective prediction method and recommend this method for any future soil mapping activities in Denmark....... technique at a given site has always been a major issue in all soil mapping applications. We studied the prediction performance of ordinary kriging (OK), stratified OK (OKst), regression trees (RT), and rule-based regression kriging (RKrr) for digital mapping of soil clay content at 30.4-m grid size using 6...

  10. Improved free-energy landscape reconstruction of bacteriorhodopsin highlights local variations in unfolding energy.

    Science.gov (United States)

    Heenan, Patrick R; Yu, Hao; Siewny, Matthew G W; Perkins, Thomas T

    2018-03-28

    Precisely quantifying the energetics that drive the folding of membrane proteins into a lipid bilayer remains challenging. More than 15 years ago, atomic force microscopy (AFM) emerged as a powerful tool to mechanically extract individual membrane proteins from a lipid bilayer. Concurrently, fluctuation theorems, such as the Jarzynski equality, were applied to deduce equilibrium free energies (ΔG 0 ) from non-equilibrium single-molecule force spectroscopy records. The combination of these two advances in single-molecule studies deduced the free-energy of the model membrane protein bacteriorhodopsin in its native lipid bilayer. To elucidate this free-energy landscape at a higher resolution, we applied two recent developments. First, as an input to the reconstruction, we used force-extension curves acquired with a 100-fold higher time resolution and 10-fold higher force precision than traditional AFM studies of membrane proteins. Next, by using an inverse Weierstrass transform and the Jarzynski equality, we removed the free energy associated with the force probe and determined the molecular free-energy landscape of the molecule under study, bacteriorhodopsin. The resulting landscape yielded an average unfolding free energy per amino acid (aa) of 1.0 ± 0.1 kcal/mol, in agreement with past single-molecule studies. Moreover, on a smaller spatial scale, this high-resolution landscape also agreed with an equilibrium measurement of a particular three-aa transition in bacteriorhodopsin that yielded 2.7 kcal/mol/aa, an unexpectedly high value. Hence, while average unfolding ΔG 0 per aa is a useful metric, the derived high-resolution landscape details significant local variation from the mean. More generally, we demonstrated that, as anticipated, the inverse Weierstrass transform is an efficient means to reconstruct free-energy landscapes from AFM data.

  11. Landscaping climate change: a mapping technique for understanding science and technology debates on the world wide web

    NARCIS (Netherlands)

    Rogers, R.; Marres, N.

    2000-01-01

    New World Wide Web (web) mapping techniques may inform and ultimately facilitate meaningful participation in current science and technology debates. The technique described here "landscapes" a debate by displaying key "webby" relationships between organizations. "Debate-scaping" plots two

  12. Multiscale coarse-graining of the protein energy landscape.

    Directory of Open Access Journals (Sweden)

    Ronald D Hills

    2010-06-01

    Full Text Available A variety of coarse-grained (CG models exists for simulation of proteins. An outstanding problem is the construction of a CG model with physically accurate conformational energetics rivaling all-atom force fields. In the present work, atomistic simulations of peptide folding and aggregation equilibria are force-matched using multiscale coarse-graining to develop and test a CG interaction potential of general utility for the simulation of proteins of arbitrary sequence. The reduced representation relies on multiple interaction sites to maintain the anisotropic packing and polarity of individual sidechains. CG energy landscapes computed from replica exchange simulations of the folding of Trpzip, Trp-cage and adenylate kinase resemble those of other reduced representations; non-native structures are observed with energies similar to those of the native state. The artifactual stabilization of misfolded states implies that non-native interactions play a deciding role in deviations from ideal funnel-like cooperative folding. The role of surface tension, backbone hydrogen bonding and the smooth pairwise CG landscape is discussed. Ab initio folding aside, the improved treatment of sidechain rotamers results in stability of the native state in constant temperature simulations of Trpzip, Trp-cage, and the open to closed conformational transition of adenylate kinase, illustrating the potential value of the CG force field for simulating protein complexes and transitions between well-defined structural states.

  13. Protein energy landscapes determined by five-dimensional crystallography

    International Nuclear Information System (INIS)

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

    2013-01-01

    Barriers of activation within the photocycle of a photoactive protein were extracted from comprehensive time courses of time resolved crystallographic data collected at multiple temperature settings. Free-energy landscapes decisively determine the progress of enzymatically catalyzed reactions [Cornish-Bowden (2012 ▶), Fundamentals of Enzyme Kinetics, 4th ed.]. Time-resolved macromolecular crystallography unifies transient-state kinetics with structure determination [Moffat (2001 ▶), Chem. Rev.101, 1569–1581; Schmidt et al. (2005 ▶), Methods Mol. Biol.305, 115–154; Schmidt (2008 ▶), Ultrashort Laser Pulses in Medicine and Biology] because both can be determined from the same set of X-ray data. Here, it is demonstrated how barriers of activation can be determined solely from five-dimensional crystallography, where in addition to space and time, temperature is a variable as well [Schmidt et al. (2010 ▶), Acta Cryst. A66, 198–206]. Directly linking molecular structures with barriers of activation between them allows insight into the structural nature of the barrier to be gained. Comprehensive time series of crystallographic data at 14 different temperature settings were analyzed and the entropy and enthalpy contributions to the barriers of activation were determined. One hundred years after the discovery of X-ray scattering, these results advance X-ray structure determination to a new frontier: the determination of energy landscapes

  14. Technology assessment in energy landscapes. Agent-based modeling of energy conflicts

    International Nuclear Information System (INIS)

    Scheffran, Juergen; Link, P. Michael; Shaaban, Mostafa; Suesser, Diana

    2017-01-01

    The risks and conflicts of the fossil-nuclear age are in contrast to the effects of renewable energies which appear in a largely positive light. However, the transformation towards a low-carbon energy supply creates new energy landscapes with a high demand for suitable land areas - which may also provoke energy conflicts. Technology assessment can contribute to reducing such energy conflicts and increasing public acceptance by using spatial agent-based models that represent dynamic decisions and interactions of stakeholders regarding energy alternatives and land-use options. Northern Germany serves as a case study region where farmers and communities are local actors of the energy transition.

  15. Towards a virtual hub approach for landscape assessment and multimedia ecomuseum using multitemporal-maps

    Directory of Open Access Journals (Sweden)

    R. Brumana

    2015-08-01

    Full Text Available Landscapes are dynamic entities, stretching and transforming across space and time, and need to be safeguarded as living places for the future, with interaction of human, social and economic dimensions. To have a comprehensive landscape evaluation several open data are needed, each one characterized by its own protocol, service interface, limiting or impeding this way interoperability and their integration. Indeed, nowadays the development of websites targeted to landscape assessment and touristic purposes requires many resources in terms of time, cost and IT skills to be implemented at different scales. For this reason these applications are limited to few cases mainly focusing on worldwide known touristic sites. The capability to spread the development of web-based multimedia virtual museum based on geospatial data relies for the future being on the possibility to discover the needed geo-spatial data through a single point of access in an homogenous way. In this paper the proposed innovative approach may facilitate the access to open data in a homogeneous way by means of specific components (the brokers performing interoperability actions required to interconnect heterogeneous data sources. In the specific case study here analysed it has been implemented an interface to migrate a geo-swat chart based on local and regional geographic information into an user friendly Google Earth©-based infrastructure, integrating ancient cadastres and modern cartography, accessible by professionals and tourists via web and also via portable devices like tables and smartphones. The general aim of this work on the case study on the Lake of Como (Tremezzina municipality, is to boost the integration of assessment methodologies with digital geo-based technologies of map correlation for the multimedia ecomuseum system accessible via web. The developed WebGIS system integrates multi-scale and multi-temporal maps with different information (cultural, historical

  16. MAPPING FEATURES OF A CULTURAL LANDSCAPE OF RYLSKY MONASTERY AND ITS ENVIRONS

    Directory of Open Access Journals (Sweden)

    O. I. Markova

    2017-01-01

    Full Text Available An experience of creating maps of culture landscapes of Rylsky monastery (Kursk Region and its environs in average and large scales has been considered.This territory is historically related with Rylsky monastery of Bulgaria and its holy ascetic Ioann Rylsky. It has a cultural-historical value, gets many monuments of architecture including the monument of federal value (Assumption Cathedral of Rylsk town. During the years of Soviet rule many objects of religious architecture were lost or in a state of desolation and destruction. In connection with the process of urbanization some rural settlements were abandoned, ceased their existence and turned into tracts in some places.In the restoration and transformation of the cultural landscape of the territory, in giving it spirituality a great role was played by the elder, the abbot of the St. Nicholas Monastery archimandrite Hippolytus (Khalin, 1928-2002. The St. Nicholas Monastery in the village Prigorodnyaya Slobodka near Rylsk town was picked up from ruins, five sketes in rural settlements of Rylsk district were opened, the Kazansky Convent in the village Bolshegneuschevo was created. Opening of monasteries and sketes made it possible to establish a monastic life, to realize a spiritual care of people and created the basis for restoration of temples that existed before in these settlements.Many natural components of cultural landscapes of this region are unusual: several holy springs, geological and geomorphological objects including a field of the curative blue clay, memorial plants, landscape plans. The Monastery and its cultural landscape attract pilgrims and tourists who illustrative here not only spiritual and moral, but also physical health.Mapping of the Monastery and its environs was implemented at two scale levels in traditions of geographical cartography using methods of illustrativeness of images and completeness of display of historical-geographical information. 

  17. Rich RNA Structure Landscapes Revealed by Mutate-and-Map Analysis.

    Directory of Open Access Journals (Sweden)

    Pablo Cordero

    2015-11-01

    Full Text Available Landscapes exhibiting multiple secondary structures arise in natural RNA molecules that modulate gene expression, protein synthesis, and viral infection [corrected]. We report herein that high-throughput chemical experiments can isolate an RNA's multiple alternative secondary structures as they are stabilized by systematic mutagenesis (mutate-and-map, M2 and that a computational algorithm, REEFFIT, enables unbiased reconstruction of these states' structures and populations. In an in silico benchmark on non-coding RNAs with complex landscapes, M2-REEFFIT recovers 95% of RNA helices present with at least 25% population while maintaining a low false discovery rate (10% and conservative error estimates. In experimental benchmarks, M2-REEFFIT recovers the structure landscapes of a 35-nt MedLoop hairpin, a 110-nt 16S rRNA four-way junction with an excited state, a 25-nt bistable hairpin, and a 112-nt three-state adenine riboswitch with its expression platform, molecules whose characterization previously required expert mutational analysis and specialized NMR or chemical mapping experiments. With this validation, M2-REEFFIT enabled tests of whether artificial RNA sequences might exhibit complex landscapes in the absence of explicit design. An artificial flavin mononucleotide riboswitch and a randomly generated RNA sequence are found to interconvert between three or more states, including structures for which there was no design, but that could be stabilized through mutations. These results highlight the likely pervasiveness of rich landscapes with multiple secondary structures in both natural and artificial RNAs and demonstrate an automated chemical/computational route for their empirical characterization.

  18. Towards a virtual hub approach for landscape assessment and multimedia ecomuseum using multitemporal-maps

    Science.gov (United States)

    Brumana, R.; Santana Quintero, M.; Barazzetti, L.; Previtali, M.; Banfi, F.; Oreni, D.; Roels, D.; Roncoroni, F.

    2015-08-01

    Landscapes are dynamic entities, stretching and transforming across space and time, and need to be safeguarded as living places for the future, with interaction of human, social and economic dimensions. To have a comprehensive landscape evaluation several open data are needed, each one characterized by its own protocol, service interface, limiting or impeding this way interoperability and their integration. Indeed, nowadays the development of websites targeted to landscape assessment and touristic purposes requires many resources in terms of time, cost and IT skills to be implemented at different scales. For this reason these applications are limited to few cases mainly focusing on worldwide known touristic sites. The capability to spread the development of web-based multimedia virtual museum based on geospatial data relies for the future being on the possibility to discover the needed geo-spatial data through a single point of access in an homogenous way. In this paper the proposed innovative approach may facilitate the access to open data in a homogeneous way by means of specific components (the brokers) performing interoperability actions required to interconnect heterogeneous data sources. In the specific case study here analysed it has been implemented an interface to migrate a geo-swat chart based on local and regional geographic information into an user friendly Google Earth©-based infrastructure, integrating ancient cadastres and modern cartography, accessible by professionals and tourists via web and also via portable devices like tables and smartphones. The general aim of this work on the case study on the Lake of Como (Tremezzina municipality), is to boost the integration of assessment methodologies with digital geo-based technologies of map correlation for the multimedia ecomuseum system accessible via web. The developed WebGIS system integrates multi-scale and multi-temporal maps with different information (cultural, historical, landscape levels

  19. Landscape of Future Accelerators at the Energy and Intensity Frontier

    Energy Technology Data Exchange (ETDEWEB)

    Syphers, M. J. [Northern Illinois U.; Chattopadhyay, S. [Northern Illinois U.

    2016-11-21

    An overview is provided of the currently envisaged landscape of charged particle accelerators at the energy and intensity frontiers to explore particle physics beyond the standard model via 1-100 TeV-scale lepton and hadron colliders and multi-Megawatt proton accelerators for short- and long- baseline neutrino experiments. The particle beam physics, associated technological challenges and progress to date for these accelerator facilities (LHC, HL-LHC, future 100 TeV p-p colliders, Tev-scale linear and circular electron-positron colliders, high intensity proton accelerator complex PIP-II for DUNE and future upgrade to PIP-III) are outlined. Potential and prospects for advanced “nonlinear dynamic techniques” at the multi-MW level intensity frontier and advanced “plasma- wakefield-based techniques” at the TeV-scale energy frontier and are also described.

  20. Hierarchical Protein Free Energy Landscapes from Variationally Enhanced Sampling.

    Science.gov (United States)

    Shaffer, Patrick; Valsson, Omar; Parrinello, Michele

    2016-12-13

    In recent work, we demonstrated that it is possible to obtain approximate representations of high-dimensional free energy surfaces with variationally enhanced sampling ( Shaffer, P.; Valsson, O.; Parrinello, M. Proc. Natl. Acad. Sci. , 2016 , 113 , 17 ). The high-dimensional spaces considered in that work were the set of backbone dihedral angles of a small peptide, Chignolin, and the high-dimensional free energy surface was approximated as the sum of many two-dimensional terms plus an additional term which represents an initial estimate. In this paper, we build on that work and demonstrate that we can calculate high-dimensional free energy surfaces of very high accuracy by incorporating additional terms. The additional terms apply to a set of collective variables which are more coarse than the base set of collective variables. In this way, it is possible to build hierarchical free energy surfaces, which are composed of terms that act on different length scales. We test the accuracy of these free energy landscapes for the proteins Chignolin and Trp-cage by constructing simple coarse-grained models and comparing results from the coarse-grained model to results from atomistic simulations. The approach described in this paper is ideally suited for problems in which the free energy surface has important features on different length scales or in which there is some natural hierarchy.

  1. Free energy landscape and molecular pathways of gas hydrate nucleation

    International Nuclear Information System (INIS)

    Bi, Yuanfei; Porras, Anna; Li, Tianshu

    2016-01-01

    Despite the significance of gas hydrates in diverse areas, a quantitative knowledge of hydrate formation at a molecular level is missing. The impediment to acquiring this understanding is primarily attributed to the stochastic nature and ultra-fine scales of nucleation events, posing a great challenge for both experiment and simulation to explore hydrate nucleation. Here we employ advanced molecular simulation methods, including forward flux sampling (FFS), p B histogram analysis, and backward flux sampling, to overcome the limit of direct molecular simulation for exploring both the free energy landscape and molecular pathways of hydrate nucleation. First we test the half-cage order parameter (H-COP) which we developed for driving FFS, through conducting the p B histogram analysis. Our results indeed show that H-COP describes well the reaction coordinates of hydrate nucleation. Through the verified order parameter, we then directly compute the free energy landscape for hydrate nucleation by combining both forward and backward flux sampling. The calculated stationary distribution density, which is obtained independently of nucleation theory, is found to fit well against the classical nucleation theory (CNT). Subsequent analysis of the obtained large ensemble of hydrate nucleation trajectories show that although on average, hydrate formation is facilitated by a two-step like mechanism involving a gradual transition from an amorphous to a crystalline structure, there also exist nucleation pathways where hydrate crystallizes directly, without going through the amorphous stage. The CNT-like free energy profile and the structural diversity suggest the existence of multiple active transition pathways for hydrate nucleation, and possibly also imply the near degeneracy in their free energy profiles among different pathways. Our results thus bring a new perspective to the long standing question of how hydrates crystallize.

  2. Free energy landscape and molecular pathways of gas hydrate nucleation.

    Science.gov (United States)

    Bi, Yuanfei; Porras, Anna; Li, Tianshu

    2016-12-07

    Despite the significance of gas hydrates in diverse areas, a quantitative knowledge of hydrate formation at a molecular level is missing. The impediment to acquiring this understanding is primarily attributed to the stochastic nature and ultra-fine scales of nucleation events, posing a great challenge for both experiment and simulation to explore hydrate nucleation. Here we employ advanced molecular simulation methods, including forward flux sampling (FFS), p B histogram analysis, and backward flux sampling, to overcome the limit of direct molecular simulation for exploring both the free energy landscape and molecular pathways of hydrate nucleation. First we test the half-cage order parameter (H-COP) which we developed for driving FFS, through conducting the p B histogram analysis. Our results indeed show that H-COP describes well the reaction coordinates of hydrate nucleation. Through the verified order parameter, we then directly compute the free energy landscape for hydrate nucleation by combining both forward and backward flux sampling. The calculated stationary distribution density, which is obtained independently of nucleation theory, is found to fit well against the classical nucleation theory (CNT). Subsequent analysis of the obtained large ensemble of hydrate nucleation trajectories show that although on average, hydrate formation is facilitated by a two-step like mechanism involving a gradual transition from an amorphous to a crystalline structure, there also exist nucleation pathways where hydrate crystallizes directly, without going through the amorphous stage. The CNT-like free energy profile and the structural diversity suggest the existence of multiple active transition pathways for hydrate nucleation, and possibly also imply the near degeneracy in their free energy profiles among different pathways. Our results thus bring a new perspective to the long standing question of how hydrates crystallize.

  3. Free energy landscape and molecular pathways of gas hydrate nucleation

    Energy Technology Data Exchange (ETDEWEB)

    Bi, Yuanfei; Porras, Anna; Li, Tianshu, E-mail: tsli@gwu.edu [Department of Civil and Environmental Engineering, George Washington University, Washington DC 20052 (United States)

    2016-12-07

    Despite the significance of gas hydrates in diverse areas, a quantitative knowledge of hydrate formation at a molecular level is missing. The impediment to acquiring this understanding is primarily attributed to the stochastic nature and ultra-fine scales of nucleation events, posing a great challenge for both experiment and simulation to explore hydrate nucleation. Here we employ advanced molecular simulation methods, including forward flux sampling (FFS), p{sub B} histogram analysis, and backward flux sampling, to overcome the limit of direct molecular simulation for exploring both the free energy landscape and molecular pathways of hydrate nucleation. First we test the half-cage order parameter (H-COP) which we developed for driving FFS, through conducting the p{sub B} histogram analysis. Our results indeed show that H-COP describes well the reaction coordinates of hydrate nucleation. Through the verified order parameter, we then directly compute the free energy landscape for hydrate nucleation by combining both forward and backward flux sampling. The calculated stationary distribution density, which is obtained independently of nucleation theory, is found to fit well against the classical nucleation theory (CNT). Subsequent analysis of the obtained large ensemble of hydrate nucleation trajectories show that although on average, hydrate formation is facilitated by a two-step like mechanism involving a gradual transition from an amorphous to a crystalline structure, there also exist nucleation pathways where hydrate crystallizes directly, without going through the amorphous stage. The CNT-like free energy profile and the structural diversity suggest the existence of multiple active transition pathways for hydrate nucleation, and possibly also imply the near degeneracy in their free energy profiles among different pathways. Our results thus bring a new perspective to the long standing question of how hydrates crystallize.

  4. Spatial mapping of renewable energy potential

    Energy Technology Data Exchange (ETDEWEB)

    Ramachandra, T.V. [Centre for Sustainable Technologies, Indian Institute of Science, Bangalore (India); Energy Research Group, CES RNO 215, Centre for Ecological Sciences, Indian Institute of Science, Bangalore 560 012 (India); Shruthi, B.V. [Energy Research Group, CES RNO 215, Centre for Ecological Sciences, Indian Institute of Science, Bangalore 560 012 (India)

    2007-09-15

    An energy resource that is renewed by nature and whose supply is not affected by the rate of consumption is often termed as renewable energy. The need to search for renewable, alternate and non-polluting sources of energy assumes top priority for self-reliance in the regional energy supply. This demands an estimation of available energy resources spatially to evolve better management strategies for ensuring sustainability of resources. The spatial mapping of availability and demand of energy resources would help in the integrated regional energy planning through an appropriate energy supply-demand matching. This paper discusses the application of Geographical Information System (GIS) to map the renewable energy potential talukwise in Karnataka State, India. Taluk is an administrative division in the federal set-up in India to implement developmental programmes like dissemination of biogas, improved stoves, etc. Hence, this paper focuses talukwise mapping of renewable energy (solar, wind, bioenergy and small hydroenergy) potential for Karnataka using GIS. GIS helps in spatial and temporal analyses of the resources and demand and also aids as Decision Support System while implementing location-specific renewable energy technologies. Regions suitable for tapping solar energy are mapped based on global solar radiation data, which provides a picture of the potential. Coastal taluks in Uttara Kannada have higher global solar radiation during summer (6.31 kWh/m{sup 2}), monsoon (4.16 kWh/m{sup 2}) and winter (5.48 kWh/m{sup 2}). Mapping of regions suitable for tapping wind energy has been done based on wind velocity data, and it shows that Chikkodi taluk, Belgaum district, has higher potential during summer (6.06 m/s), monsoon (8.27 m/s) and winter (5.19 m/s). Mysore district has the maximum number of small hydropower plants with a capacity of 36 MW. Talukwise computation of bioenergy availability from agricultural residue, forest, horticulture, plantation and livestock

  5. Comparison of spatial association approaches for landscape mapping of soil organic carbon stocks

    Science.gov (United States)

    Miller, B. A.; Koszinski, S.; Wehrhan, M.; Sommer, M.

    2015-03-01

    The distribution of soil organic carbon (SOC) can be variable at small analysis scales, but consideration of its role in regional and global issues demands the mapping of large extents. There are many different strategies for mapping SOC, among which is to model the variables needed to calculate the SOC stock indirectly or to model the SOC stock directly. The purpose of this research is to compare direct and indirect approaches to mapping SOC stocks from rule-based, multiple linear regression models applied at the landscape scale via spatial association. The final products for both strategies are high-resolution maps of SOC stocks (kg m-2), covering an area of 122 km2, with accompanying maps of estimated error. For the direct modelling approach, the estimated error map was based on the internal error estimations from the model rules. For the indirect approach, the estimated error map was produced by spatially combining the error estimates of component models via standard error propagation equations. We compared these two strategies for mapping SOC stocks on the basis of the qualities of the resulting maps as well as the magnitude and distribution of the estimated error. The direct approach produced a map with less spatial variation than the map produced by the indirect approach. The increased spatial variation represented by the indirect approach improved R2 values for the topsoil and subsoil stocks. Although the indirect approach had a lower mean estimated error for the topsoil stock, the mean estimated error for the total SOC stock (topsoil + subsoil) was lower for the direct approach. For these reasons, we recommend the direct approach to modelling SOC stocks be considered a more conservative estimate of the SOC stocks' spatial distribution.

  6. Energy map of southwestern Wyoming, Part B: oil and gas, oil shale, uranium, and solar

    Science.gov (United States)

    Biewick, Laura R.H.; Wilson, Anna B.

    2014-01-01

    The U.S. Geological Survey (USGS) has compiled Part B of the Energy Map of Southwestern Wyoming for the Wyoming Landscape Conservation Initiative (WLCI). Part B consists of oil and gas, oil shale, uranium, and solar energy resource information in support of the WLCI. The WLCI represents the USGS partnership with other Department of the Interior Bureaus, State and local agencies, industry, academia, and private landowners, all of whom collaborate to maintain healthy landscapes, sustain wildlife, and preserve recreational and grazing uses while developing energy resources in southwestern Wyoming. This product is the second and final part of the Energy Map of Southwestern Wyoming series (also see USGS Data Series 683, http://pubs.usgs.gov/ds/683/), and encompasses all of Carbon, Lincoln, Sublette, Sweetwater, and Uinta Counties, as well as areas in Fremont County that are in the Great Divide and Green River Basins.

  7. Assessment of the visual landscape impact and dominance of wind tubines in Austria using weighted viewshed maps

    Science.gov (United States)

    Schauppenlehner, Thomas; Salak, Boris; Scherhaufer, Patrick; Höltinger, Stefan; Schmidt, Johannes

    2017-04-01

    Due to efficiency reasons and broadly availability of wind, wind energy is in focus of strategies regarding the expansion of renewable energy and energy transition policies. Nevertheless, the dimensions of the wind turbines and rotating dynamics have a significant impact on the landscape scenery and recreation as well as tourism activities. This often leads to local opposition against wind energy projects and is a major criterion regarding the acceptance of wind energy. In the project TransWind, the social acceptance of wind energy is surveyed on the basis of different development scenarios for Austria. Therefore, a GIS-based viewshed indicator was developed to assess the visual impact of different development scenarios as well as the current situation using weighted - regarding distance, amount and masking - viewshed analysis. This weighted viewshed maps for Austria allows a comprehensive evaluation of existing and potential wind energy sites regarding dominance and visual impact and can contribute to the spatial development process of wind energy site. Different regions can be compared and repowering strategies can be evaluated. Due to the large project area, data resolutions, generalized assumptions (e.g. tree heights) and missing data (e.g. solitary trees, small hedges) at local level further analysis are necessary but it supports the assessment of large-scale development scenarios can be identified.

  8. Genotype to phenotype mapping and the fitness landscape of the E. coli lac promoter.

    Directory of Open Access Journals (Sweden)

    Jakub Otwinowski

    Full Text Available Genotype-to-phenotype maps and the related fitness landscapes that include epistatic interactions are difficult to measure because of their high dimensional structure. Here we construct such a map using the recently collected corpora of high-throughput sequence data from the 75 base pairs long mutagenized E. coli lac promoter region, where each sequence is associated with its phenotype, the induced transcriptional activity measured by a fluorescent reporter. We find that the additive (non-epistatic contributions of individual mutations account for about two-thirds of the explainable phenotype variance, while pairwise epistasis explains about 7% of the variance for the full mutagenized sequence and about 15% for the subsequence associated with protein binding sites. Surprisingly, there is no evidence for third order epistatic contributions, and our inferred fitness landscape is essentially single peaked, with a small amount of antagonistic epistasis. There is a significant selective pressure on the wild type, which we deduce to be multi-objective optimal for gene expression in environments with different nutrient sources. We identify transcription factor (CRP and RNA polymerase binding sites in the promotor region and their interactions without difficult optimization steps. In particular, we observe evidence for previously unexplored genetic regulatory mechanisms, possibly kinetic in nature. We conclude with a cautionary note that inferred properties of fitness landscapes may be severely influenced by biases in the sequence data.

  9. Trp-cage: Folding free energy landscape in explicit water

    Science.gov (United States)

    Zhou, Ruhong

    2003-11-01

    Trp-cage is a 20-residue miniprotein, which is believed to be the fastest folder known so far. In this study, the folding free energy landscape of Trp-cage has been explored in explicit solvent by using an OPLSAA force field with periodic boundary condition. A highly parallel replica exchange molecular dynamics method is used for the conformation space sampling, with the help of a recently developed efficient molecular dynamics algorithm P3ME/RESPA (particle-particle particle-mesh Ewald/reference system propagator algorithm). A two-step folding mechanism is proposed that involves an intermediate state where two correctly formed partial hydrophobic cores are separated by an essential salt-bridge between residues Asp-9 and Arg-16 near the center of the peptide. This metastable intermediate state provides an explanation for the superfast folding process. The free energy landscape is found to be rugged at low temperatures, and then becomes smooth and funnel-like above 340 K. The lowest free energy structure at 300 K is only 1.50 Å C-RMSD (C-rms deviation) from the NMR structures. The simulated nuclear Overhauser effect pair distances are in excellent agreement with the raw NMR data. The temperature dependence of the Trp-cage population, however, is found to be significantly different from experiment, with a much higher melting transition temperature above 400 K (experimental 315 K), indicating that the current force fields, parameterized at room temperature, need to be improved to correctly predict the temperature dependence.

  10. Landscape Heterogeneity mapping for Access to Tribal health care in Nilgiris District of Tamil Nadu, India

    Science.gov (United States)

    Brindha, B.; Prashanthi Devi, M.

    2014-11-01

    The Nilgiris district in Tamilnadu has a rich biodiversity in terms of flora, fauna and ethnic population. The district is basically a mountainous region, situated at an elevation of 2000 to 2,600 meters above MSL and constituting of several hill and Steep Mountain valleys. This region houses six tribes who are mainly forest dwellers and live in close settlements depending on the forest resources for their livelihood. The Tribes of Nilgiris have been diagnosed and monitored for Sickle cell Anemia which is a disease of major concern among these ethnic populations. This genetic disorder developed due to the sickling of Red Blood Cells has increased during the past few decades. The Tribes, as they live in close encounter with the forest regions and have strict social cultural barriers, face difficulty in availing treatment or counseling from the Sickle Cell Research Center (SCRC) and other NGOs like NAWA and AHWINI in the region. It was observed that many factors such as landscape terrain, climatic conditions and improper roads tend to hinder the access to appropriate health care. The SCRC in Gudalur region is a facility established to monitor the disease cases inspite of these influencing factors. On analyzing the year bound age wise classification among male and female patients, certain dropouts in cases were observed which may be due to inaccessible condition or migration of the patient. In our study, Landscape heterogeneity mapping for different climatic seasons was done in ArcGIS 10.1. For this, contour and terrain maps, road networks and villages were prepared and factors that determine Terrain Difficulty were assessed. Vegetation mapping using IRS satellite images for the study region was attempted and associated with the landscape map. A risk analysis was proposed based on terrain difficulty and access to the nearest Health care Center. Based on this, the above factors alternate routes were suggested to access the difficult areas.

  11. Multivariable extrapolation of grand canonical free energy landscapes

    Science.gov (United States)

    Mahynski, Nathan A.; Errington, Jeffrey R.; Shen, Vincent K.

    2017-12-01

    We derive an approach for extrapolating the free energy landscape of multicomponent systems in the grand canonical ensemble, obtained from flat-histogram Monte Carlo simulations, from one set of temperature and chemical potentials to another. This is accomplished by expanding the landscape in a Taylor series at each value of the order parameter which defines its macrostate phase space. The coefficients in each Taylor polynomial are known exactly from fluctuation formulas, which may be computed by measuring the appropriate moments of extensive variables that fluctuate in this ensemble. Here we derive the expressions necessary to define these coefficients up to arbitrary order. In principle, this enables a single flat-histogram simulation to provide complete thermodynamic information over a broad range of temperatures and chemical potentials. Using this, we also show how to combine a small number of simulations, each performed at different conditions, in a thermodynamically consistent fashion to accurately compute properties at arbitrary temperatures and chemical potentials. This method may significantly increase the computational efficiency of biased grand canonical Monte Carlo simulations, especially for multicomponent mixtures. Although approximate, this approach is amenable to high-throughput and data-intensive investigations where it is preferable to have a large quantity of reasonably accurate simulation data, rather than a smaller amount with a higher accuracy.

  12. Interpolative mapping of mean precipitation in the Baltic countries by using landscape characteristics

    Directory of Open Access Journals (Sweden)

    Kalle Remm

    2011-08-01

    Full Text Available Maps of the long-term mean precipitation involving local landscape variables were generated for the Baltic countries, and the effectiveness of seven modelling methods was compared. The precipitation data were recorded in 245 meteorological stations in 1966–2005, and 51 location-related explanatory variables were used. The similarity-based reasoning in the Constud software system outperformed other methods according to the validation fit, except for spring. The multivariate adaptive regression splines (MARS was another effective method on average. The inclusion of landscape variables, compared to reverse distance-weighted interpolation, highlights the effect of uplands, larger water bodies and forested areas. The long-term mean amount of precipitation, calculated as the station average, probably underestimates the real value for Estonia and overestimates it for Lithuania due to the uneven distribution of observation stations.

  13. Biomass energy inventory and mapping system

    Energy Technology Data Exchange (ETDEWEB)

    Kasile, J.D. [Ohio State Univ., Columbus, OH (United States)

    1993-12-31

    A four-stage biomass energy inventory and mapping system was conducted for the entire State of Ohio. The product is a set of maps and an inventory of the State of Ohio. The set of amps and an inventory of the State`s energy biomass resource are to a one kilometer grid square basis on the Universal Transverse Mercator (UTM) system. Each square kilometer is identified and mapped showing total British Thermal Unit (BTU) energy availability. Land cover percentages and BTU values are provided for each of nine biomass strata types for each one kilometer grid square. LANDSAT satellite data was used as the primary stratifier. The second stage sampling was the photointerpretation of randomly selected one kilometer grid squares that exactly corresponded to the LANDSAT one kilometer grid square classification orientation. Field sampling comprised the third stage of the energy biomass inventory system and was combined with the fourth stage sample of laboratory biomass energy analysis using a Bomb calorimeter and was then used to assign BTU values to the photointerpretation and to adjust the LANDSAT classification. The sampling error for the whole system was 3.91%.

  14. Sorption Energy Maps of Clay Mineral Surfaces

    International Nuclear Information System (INIS)

    Cygan, Randall T.; Kirkpatrick, R. James

    1999-01-01

    A molecular-level understanding of mineral-water interactions is critical for the evaluation and prediction of the sorption properties of clay minerals that may be used in various chemical and radioactive waste disposal methods. Molecular models of metal sorption incorporate empirical energy force fields, based on molecular orbital calculations and spectroscopic data, that account for Coulombic, van der Waals attractive, and short-range repulsive energies. The summation of the non-bonded energy terms at equally-spaced grid points surrounding a mineral substrate provides a three dimensional potential energy grid. The energy map can be used to determine the optimal sorption sites of metal ions on the exposed surfaces of the mineral. By using this approach, we have evaluated the crystallographic and compositional control of metal sorption on the surfaces of kaolinite and illite. Estimates of the relative sorption energy and most stable sorption sites are derived based on a rigid ion approximation

  15. Mapping energy poverty in Huntington, West Virginia

    Science.gov (United States)

    Callicoat, Elizabeth Anne

    Energy poverty is a growing phenomenon culminating from the combination of low to mid household income, deteriorating housing structures and rising household energy costs. Energy prices are increasing for all households, but the burden is proportionally larger for those with low to mid income. These groups must sacrifice to afford energy, and are often unable or do not have the autonomy to make structural improvements, especially if they rent their home. Data on residential dwellings from the Cabell County Tax Assessor's Office was used within a geographic information system to map where energy poverty likely exists within the city limits of Huntington, WV. It was found that one fifth of Huntington households are at a high risk of energy poverty, primarily located across the northern section of the city and in the center, surrounding Marshall University, Downtown and Cabell Huntington Hospital.

  16. Approximate scaling properties of RNA free energy landscapes

    Science.gov (United States)

    Baskaran, S.; Stadler, P. F.; Schuster, P.

    1996-01-01

    RNA free energy landscapes are analysed by means of "time-series" that are obtained from random walks restricted to excursion sets. The power spectra, the scaling of the jump size distribution, and the scaling of the curve length measured with different yard stick lengths are used to describe the structure of these "time series". Although they are stationary by construction, we find that their local behavior is consistent with both AR(1) and self-affine processes. Random walks confined to excursion sets (i.e., with the restriction that the fitness value exceeds a certain threshold at each step) exhibit essentially the same statistics as free random walks. We find that an AR(1) time series is in general approximately self-affine on timescales up to approximately the correlation length. We present an empirical relation between the correlation parameter rho of the AR(1) model and the exponents characterizing self-affinity.

  17. Solar Thermal energy strategic road-map

    International Nuclear Information System (INIS)

    Hafner, Bernd; Godin, Olivier; Villier, Dominique; Petit, J.F.; Demangeon, Elsa; Laplagne, Valerie; Loyen, Richard; Mugnier, Daniel; Filloux, Alain; Frichet, Jean-Claude; Aubert, Elisabeth; Cherepanova, Margarita; Guilmin, Audrey; Dicostanzo, Catherine; Papillon, Philippe; Caccavelli, Dominique; Cholin, Xavier; Leger, Emmanuel; Gevaudan, Alain; Coulaud, Celine; Morlot, Rodolphe; Khebchache, Bouzid; Parrouffe, Jean-Michel; Clement, Daniel; Tonnet, Nicolas

    2012-11-01

    The French Environment and Energy Management Agency (ADEME) manages a fund dedicated to new energy technologies. Since 2008 this fund has funded 'research demonstrators' to implement testing of technologies that are in an experimental stage, between research and industrial deployment. ADEME coordinates a group of experts who are charged with drawing up a strategic road-map prior to each Call for Expressions of Interest. The aims of the solar thermal road-map are: - to highlight the industrial, technological, environmental and societal issues at stake; - to elaborate coherent, consistent and shared visions of the technologies and/or socio-technical systems outlined in the road-map; - to underscore the technological, organisational and socioeconomic barriers and bottlenecks to be overcome in order to achieve these visions; - to link priority research topics to a timetable of goals for technology availability and deployment that is consistent with the stated objectives; - to give priority to research needs and research demonstrators that will serve as the basis for: 1 - calls for expression of interest issued by the Research Demonstrators Fund, 2 - the research programming process at ADEME and more broadly at the Agence nationale de la recherche (ANR) and the Comite strategique national sur la recherche sur l'energie. Research priorities and needs for demonstrators are determined by the intersection of visions and bottlenecks. They also take into account industrial and research capacity in France. The road-maps may also refer to exemplary research demonstrators abroad that are in the forefront of technological progress, and make recommendations regarding industrial policy. These road-maps are the result of collective work by a group of experts appointed by the Steering Committee (Comite de pilotage, COPIL) of the Research Demonstrators Fund for new energy technologies. The members of this group are actors in research, drawn from industry, research bodies and research

  18. Temporal disconnectivity of the energy landscape in glassy systems

    Science.gov (United States)

    Lempesis, Nikolaos; Boulougouris, Georgios C.; Theodorou, Doros N.

    2013-03-01

    An alternative graphical representation of the potential energy landscape (PEL) has been developed and applied to a binary Lennard-Jones glassy system, providing insight into the unique topology of the system's potential energy hypersurface. With the help of this representation one is able to monitor the different explored basins of the PEL, as well as how - and mainly when - subsets of basins communicate with each other via transitions in such a way that details of the prior temporal history have been erased, i.e., local equilibration between the basins in each subset has been achieved. In this way, apart from detailed information about the structure of the PEL, the system's temporal evolution on the PEL is described. In order to gather all necessary information about the identities of two or more basins that are connected with each other, we consider two different approaches. The first one is based on consideration of the time needed for two basins to mutually equilibrate their populations according to the transition rate between them, in the absence of any effect induced by the rest of the landscape. The second approach is based on an analytical solution of the master equation that explicitly takes into account the entire explored landscape. It is shown that both approaches lead to the same result concerning the topology of the PEL and dynamical evolution on it. Moreover, a "temporal disconnectivity graph" is introduced to represent a lumped system stemming from the initial one. The lumped system is obtained via a specially designed algorithm [N. Lempesis, D. G. Tsalikis, G. C. Boulougouris, and D. N. Theodorou, J. Chem. Phys. 135, 204507 (2011), 10.1063/1.3663207]. The temporal disconnectivity graph provides useful information about both the lumped and the initial systems, including the definition of "metabasins" as collections of basins that communicate with each other via transitions that are fast relative to the observation time. Finally, the two examined

  19. Palaeogeographical time series maps of the Pleistocene and Holocene lowland landscapes in and around the North Sea.

    NARCIS (Netherlands)

    Cohen, K.M.

    2017-01-01

    Palaeogeographical time series maps provide powerful text figures that narrate the chronological story of landscape change in prehistoric and historic times in a quite accessible way. They inspire and communicate the broad idea of developments quickly, no matter how the maps are produced

  20. Mapping the Landscape of Future Research Themes in Supply Chain Management

    DEFF Research Database (Denmark)

    Wieland, Andreas; Handfield, Robert; Durach, Christian F.

    2016-01-01

    Supply chain researchers are confronted with a dizzying array of research questions, many of which are not mutually independent. This research was motivated by the need to map the landscape of research themes, identify potential overlapping areas and interactions, and provide guidelines on areas...... of focus for researchers to pursue. We conducted a three-phase research study, beginning with an open-ended collection of opinions on research themes collected from 102 supply chain management (SCM) researchers, followed by an evaluation of a consolidated list of themes by 141 SCM researchers...

  1. Energy Union: a global road-map

    International Nuclear Information System (INIS)

    Tourneur, Jean-Claude

    2015-01-01

    This article presents and comments the strategy defined by the European Commission in its document entitled 'Energy Union: secure, sustainable, competitive, affordable energy for every European' which defines a framework and a road-map for the emergence and progress of a Europe of energy. Such an Energy Union means solidarity between members, a free circulation of energy across borders, a priority for energy efficiency, a transition towards a low carbon society, and competitive and affordable prices for the European citizen. The author outlines the present weaknesses of the Europe of energy: first world energy importer, twelve countries being under the required interconnection level (10 per cent of the installed production should be able to cross the borders), some countries depending on a unique provider for their energy imports, low energy performance for buildings and high oil-dependence for transports. On the other hand, good results have already been reached regarding the reduction of greenhouse gas emissions. To be successful, this new strategy thus requires high investments and the development of new standards

  2. AN EVALUATION OF THE SPATIAL DIMENSION OF LANDSCAPE ...

    African Journals Online (AJOL)

    Osondu

    2012-03-30

    Mar 30, 2012 ... with adequate landscaping, - using landscape elements, to create a ... air, water and energy cycles that replenish and rejuvenate ... First, using the street map of. Ogbomoso ... swimming pools, etc, were regarded as conscious.

  3. Mapping and determinism of soil microbial community distribution across an agricultural landscape.

    Science.gov (United States)

    Constancias, Florentin; Terrat, Sébastien; Saby, Nicolas P A; Horrigue, Walid; Villerd, Jean; Guillemin, Jean-Philippe; Biju-Duval, Luc; Nowak, Virginie; Dequiedt, Samuel; Ranjard, Lionel; Chemidlin Prévost-Bouré, Nicolas

    2015-06-01

    Despite the relevance of landscape, regarding the spatial patterning of microbial communities and the relative influence of environmental parameters versus human activities, few investigations have been conducted at this scale. Here, we used a systematic grid to characterize the distribution of soil microbial communities at 278 sites across a monitored agricultural landscape of 13 km². Molecular microbial biomass was estimated by soil DNA recovery and bacterial diversity by 16S rRNA gene pyrosequencing. Geostatistics provided the first maps of microbial community at this scale and revealed a heterogeneous but spatially structured distribution of microbial biomass and diversity with patches of several hundreds of meters. Variance partitioning revealed that both microbial abundance and bacterial diversity distribution were highly dependent of soil properties and land use (total variance explained ranged between 55% and 78%). Microbial biomass and bacterial richness distributions were mainly explained by soil pH and texture whereas bacterial evenness distribution was mainly related to land management. Bacterial diversity (richness, evenness, and Shannon index) was positively influenced by cropping intensity and especially by soil tillage, resulting in spots of low microbial diversity in soils under forest management. Spatial descriptors also explained a small but significant portion of the microbial distribution suggesting that landscape configuration also shapes microbial biomass and bacterial diversity. © 2015 The Authors. MicrobiologyOpen published by John Wiley & Sons Ltd.

  4. Crossover to potential energy landscape dominated dynamics in a model glass-forming liquid

    DEFF Research Database (Denmark)

    Schrøder, Thomas; Sastry, S.; Dyre, Jeppe

    2000-01-01

    An equilibrated model glass-forming liquid is studied by mapping successive configurations produced by molecular dynamics simulation onto a time series of inherent structures (local minima in the potential energy). Using this "inherent dynamics" approach we find direct numerical evidence for the ......An equilibrated model glass-forming liquid is studied by mapping successive configurations produced by molecular dynamics simulation onto a time series of inherent structures (local minima in the potential energy). Using this "inherent dynamics" approach we find direct numerical evidence...... for the long held view that below a crossover temperature, Tx, the liquid's dynamics can be separated into (i) vibrations around inherent structures and (ii) transitions between inherent structures [M. Goldstein, J. Chem. Phys. 51, 3728 (1969)], i.e., the dynamics become "dominated" by the potential energy...... landscape. In agreement with previous proposals, we find that Tx is within the vicinity of the mode-coupling critical temperature Tc. We further find that near Tx, transitions between inherent structures occur via cooperative, stringlike rearrangements of groups of particles moving distances substantially...

  5. Landscapes for Energy and Wildlife: Conservation Prioritization for Golden Eagles across Large Spatial Scales.

    Directory of Open Access Journals (Sweden)

    Jason D Tack

    Full Text Available Proactive conservation planning for species requires the identification of important spatial attributes across ecologically relevant scales in a model-based framework. However, it is often difficult to develop predictive models, as the explanatory data required for model development across regional management scales is rarely available. Golden eagles are a large-ranging predator of conservation concern in the United States that may be negatively affected by wind energy development. Thus, identifying landscapes least likely to pose conflict between eagles and wind development via shared space prior to development will be critical for conserving populations in the face of imposing development. We used publically available data on golden eagle nests to generate predictive models of golden eagle nesting sites in Wyoming, USA, using a suite of environmental and anthropogenic variables. By overlaying predictive models of golden eagle nesting habitat with wind energy resource maps, we highlight areas of potential conflict among eagle nesting habitat and wind development. However, our results suggest that wind potential and the relative probability of golden eagle nesting are not necessarily spatially correlated. Indeed, the majority of our sample frame includes areas with disparate predictions between suitable nesting habitat and potential for developing wind energy resources. Map predictions cannot replace on-the-ground monitoring for potential risk of wind turbines on wildlife populations, though they provide industry and managers a useful framework to first assess potential development.

  6. Maize Cropping Systems Mapping Using RapidEye Observations in Agro-Ecological Landscapes in Kenya.

    Science.gov (United States)

    Richard, Kyalo; Abdel-Rahman, Elfatih M; Subramanian, Sevgan; Nyasani, Johnson O; Thiel, Michael; Jozani, Hosein; Borgemeister, Christian; Landmann, Tobias

    2017-11-03

    Cropping systems information on explicit scales is an important but rarely available variable in many crops modeling routines and of utmost importance for understanding pests and disease propagation mechanisms in agro-ecological landscapes. In this study, high spatial and temporal resolution RapidEye bio-temporal data were utilized within a novel 2-step hierarchical random forest (RF) classification approach to map areas of mono- and mixed maize cropping systems. A small-scale maize farming site in Machakos County, Kenya was used as a study site. Within the study site, field data was collected during the satellite acquisition period on general land use/land cover (LULC) and the two cropping systems. Firstly, non-cropland areas were masked out from other land use/land cover using the LULC mapping result. Subsequently an optimized RF model was applied to the cropland layer to map the two cropping systems (2nd classification step). An overall accuracy of 93% was attained for the LULC classification, while the class accuracies (PA: producer's accuracy and UA: user's accuracy) for the two cropping systems were consistently above 85%. We concluded that explicit mapping of different cropping systems is feasible in complex and highly fragmented agro-ecological landscapes if high resolution and multi-temporal satellite data such as 5 m RapidEye data is employed. Further research is needed on the feasibility of using freely available 10-20 m Sentinel-2 data for wide-area assessment of cropping systems as an important variable in numerous crop productivity models.

  7. Maize Cropping Systems Mapping Using RapidEye Observations in Agro-Ecological Landscapes in Kenya

    Directory of Open Access Journals (Sweden)

    Kyalo Richard

    2017-11-01

    Full Text Available Cropping systems information on explicit scales is an important but rarely available variable in many crops modeling routines and of utmost importance for understanding pests and disease propagation mechanisms in agro-ecological landscapes. In this study, high spatial and temporal resolution RapidEye bio-temporal data were utilized within a novel 2-step hierarchical random forest (RF classification approach to map areas of mono- and mixed maize cropping systems. A small-scale maize farming site in Machakos County, Kenya was used as a study site. Within the study site, field data was collected during the satellite acquisition period on general land use/land cover (LULC and the two cropping systems. Firstly, non-cropland areas were masked out from other land use/land cover using the LULC mapping result. Subsequently an optimized RF model was applied to the cropland layer to map the two cropping systems (2nd classification step. An overall accuracy of 93% was attained for the LULC classification, while the class accuracies (PA: producer’s accuracy and UA: user’s accuracy for the two cropping systems were consistently above 85%. We concluded that explicit mapping of different cropping systems is feasible in complex and highly fragmented agro-ecological landscapes if high resolution and multi-temporal satellite data such as 5 m RapidEye data is employed. Further research is needed on the feasibility of using freely available 10–20 m Sentinel-2 data for wide-area assessment of cropping systems as an important variable in numerous crop productivity models.

  8. PELE:  Protein Energy Landscape Exploration. A Novel Monte Carlo Based Technique.

    Science.gov (United States)

    Borrelli, Kenneth W; Vitalis, Andreas; Alcantara, Raul; Guallar, Victor

    2005-11-01

    Combining protein structure prediction algorithms and Metropolis Monte Carlo techniques, we provide a novel method to explore all-atom energy landscapes. The core of the technique is based on a steered localized perturbation followed by side-chain sampling as well as minimization cycles. The algorithm and its application to ligand diffusion are presented here. Ligand exit pathways are successfully modeled for different systems containing ligands of various sizes:  carbon monoxide in myoglobin, camphor in cytochrome P450cam, and palmitic acid in the intestinal fatty-acid-binding protein. These initial applications reveal the potential of this new technique in mapping millisecond-time-scale processes. The computational cost associated with the exploration is significantly less than that of conventional MD simulations.

  9. Free Energy Landscape of the Dissolution of Gibbsite at High pH

    Energy Technology Data Exchange (ETDEWEB)

    Shen, Zhizhang; Kerisit, Sebastien N.; Stack, Andrew G.; Rosso, Kevin M.

    2018-03-26

    The individual elementary reactions involved in the dissolution of a solid into solution remain mostly speculative due to a lack of suitable, direct experimental probes. In this regard, we have applied atomistic simulations to map the free energy landscape of the dissolution of gibbsite from a step edge, as a model of metal hydroxide dissolution. The overall reaction combines kink site formation and kink site propagation. Two individual reactions were found to be rate-limiting for kink site formation, that is, the displacement of Al from a step site to a ledge adatom site and its detachment from ledge/terrace adatom sites into the solution. As a result, a pool of mobile and labile Al adsorbed species, or adatoms, exists before the release of Al into solution. Because of the quasi-hexagonal symmetry of gibbsite, kink site propagation can occur in multiple directions. Overall, the simulation results will enable the development of microscopic mechanistic models of metal oxide dissolution.

  10. Mapping behavioral landscapes for animal movement: a finite mixture modeling approach

    Science.gov (United States)

    Tracey, Jeff A.; Zhu, Jun; Boydston, Erin E.; Lyren, Lisa M.; Fisher, Robert N.; Crooks, Kevin R.

    2013-01-01

    Because of its role in many ecological processes, movement of animals in response to landscape features is an important subject in ecology and conservation biology. In this paper, we develop models of animal movement in relation to objects or fields in a landscape. We take a finite mixture modeling approach in which the component densities are conceptually related to different choices for movement in response to a landscape feature, and the mixing proportions are related to the probability of selecting each response as a function of one or more covariates. We combine particle swarm optimization and an Expectation-Maximization (EM) algorithm to obtain maximum likelihood estimates of the model parameters. We use this approach to analyze data for movement of three bobcats in relation to urban areas in southern California, USA. A behavioral interpretation of the models revealed similarities and differences in bobcat movement response to urbanization. All three bobcats avoided urbanization by moving either parallel to urban boundaries or toward less urban areas as the proportion of urban land cover in the surrounding area increased. However, one bobcat, a male with a dispersal-like large-scale movement pattern, avoided urbanization at lower densities and responded strictly by moving parallel to the urban edge. The other two bobcats, which were both residents and occupied similar geographic areas, avoided urban areas using a combination of movements parallel to the urban edge and movement toward areas of less urbanization. However, the resident female appeared to exhibit greater repulsion at lower levels of urbanization than the resident male, consistent with empirical observations of bobcats in southern California. Using the parameterized finite mixture models, we mapped behavioral states to geographic space, creating a representation of a behavioral landscape. This approach can provide guidance for conservation planning based on analysis of animal movement data using

  11. Investigation of the Structures and Energy Landscapes of Thiocyanate-Water Clusters

    Directory of Open Access Journals (Sweden)

    Lewis C. Smeeton

    2017-03-01

    Full Text Available The Basin Hopping search method is used to find the global minima (GM and map the energy landscapes of thiocyanate-water clusters, (SCN−(H2On with 3–50 water molecules, with empirical potentials describing the ion-water and water-water interactions. (It should be noted that beyond n = 23, the lowest energy structures were only found in 1 out of 8 searches so they are unlikely to be the true GM but are indicative low energy structures. As for pure water clusters, the low energy isomers of thiocyanate-water clusters show a preponderance of fused water cubes and pentagonal prisms, with the weakly solvated thiocyanate ion lying on the surface, replacing two water molecules along an edge of a water polyhedron and with the sulfur atom in lower coordinated sites than nitrogen. However, by comparison with Density Functional Theory (DFT calculations, the empirical potential is found to overestimate the strength of the thiocyanate-water interaction, especially O–H⋯S, with low energy DFT structures having lower coordinate N and (especially S atoms than for the empirical potential. In the case of these finite ion-water clusters, the chaotropic (“disorder-making” thiocyanate ion weakens the water cluster structure but the water molecule arrangement is not significantly changed.

  12. On the ecological relevance of landscape mapping and its application in the spatial planning of very large marine protected areas.

    Science.gov (United States)

    Hogg, Oliver T; Huvenne, Veerle A I; Griffiths, Huw J; Linse, Katrin

    2018-06-01

    In recent years very large marine protected areas (VLMPAs) have become the dominant form of spatial protection in the marine environment. Whilst seen as a holistic and geopolitically achievable approach to conservation, there is currently a mismatch between the size of VLMPAs, and the data available to underpin their establishment and inform on their management. Habitat mapping has increasingly been adopted as a means of addressing paucity in biological data, through use of environmental proxies to estimate species and community distribution. Small-scale studies have demonstrated environmental-biological links in marine systems. Such links, however, are rarely demonstrated across larger spatial scales in the benthic environment. As such, the utility of habitat mapping as an effective approach to the ecosystem-based management of VLMPAs remains, thus far, largely undetermined. The aim of this study was to assess the ecological relevance of broadscale landscape mapping. Specifically we test the relationship between broad-scale marine landscapes and the structure of their benthic faunal communities. We focussed our work at the sub-Antarctic island of South Georgia, site of one of the largest MPAs in the world. We demonstrate a statistically significant relationship between environmentally derived landscape mapping clusters, and the composition of presence-only species data from the region. To demonstrate this relationship required specific re-sampling of historical species occurrence data to balance biological rarity, biological cosmopolitism, range-restricted sampling and fine-scale heterogeneity between sampling stations. The relationship reveals a distinct biological signature in the faunal composition of individual landscapes, attributing ecological relevance to South Georgia's environmentally derived marine landscape map. We argue therefore, that landscape mapping represents an effective framework for ensuring representative protection of habitats in management

  13. Bayesian energy landscape tilting: towards concordant models of molecular ensembles.

    Science.gov (United States)

    Beauchamp, Kyle A; Pande, Vijay S; Das, Rhiju

    2014-03-18

    Predicting biological structure has remained challenging for systems such as disordered proteins that take on myriad conformations. Hybrid simulation/experiment strategies have been undermined by difficulties in evaluating errors from computational model inaccuracies and data uncertainties. Building on recent proposals from maximum entropy theory and nonequilibrium thermodynamics, we address these issues through a Bayesian energy landscape tilting (BELT) scheme for computing Bayesian hyperensembles over conformational ensembles. BELT uses Markov chain Monte Carlo to directly sample maximum-entropy conformational ensembles consistent with a set of input experimental observables. To test this framework, we apply BELT to model trialanine, starting from disagreeing simulations with the force fields ff96, ff99, ff99sbnmr-ildn, CHARMM27, and OPLS-AA. BELT incorporation of limited chemical shift and (3)J measurements gives convergent values of the peptide's α, β, and PPII conformational populations in all cases. As a test of predictive power, all five BELT hyperensembles recover set-aside measurements not used in the fitting and report accurate errors, even when starting from highly inaccurate simulations. BELT's principled framework thus enables practical predictions for complex biomolecular systems from discordant simulations and sparse data. Copyright © 2014 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  14. Computational design of RNAs with complex energy landscapes.

    Science.gov (United States)

    Höner zu Siederdissen, Christian; Hammer, Stefan; Abfalter, Ingrid; Hofacker, Ivo L; Flamm, Christoph; Stadler, Peter F

    2013-12-01

    RNA has become an integral building material in synthetic biology. Dominated by their secondary structures, which can be computed efficiently, RNA molecules are amenable not only to in vitro and in vivo selection, but also to rational, computation-based design. While the inverse folding problem of constructing an RNA sequence with a prescribed ground-state structure has received considerable attention for nearly two decades, there have been few efforts to design RNAs that can switch between distinct prescribed conformations. We introduce a user-friendly tool for designing RNA sequences that fold into multiple target structures. The underlying algorithm makes use of a combination of graph coloring and heuristic local optimization to find sequences whose energy landscapes are dominated by the prescribed conformations. A flexible interface allows the specification of a wide range of design goals. We demonstrate that bi- and tri-stable "switches" can be designed easily with moderate computational effort for the vast majority of compatible combinations of desired target structures. RNAdesign is freely available under the GPL-v3 license. Copyright © 2013 Wiley Periodicals, Inc.

  15. Mapping the dengue scientific landscape worldwide: a bibliometric and network analysis.

    Science.gov (United States)

    Mota, Fabio Batista; Fonseca, Bruna de Paula Fonseca E; Galina, Andréia Cristina; Silva, Roseli Monteiro da

    2017-05-01

    Despite the current global trend of reduction in the morbidity and mortality of neglected diseases, dengue's incidence has increased and occurrence areas have expanded. Dengue also persists as a scientific and technological challenge since there is no effective treatment, vaccine, vector control or public health intervention. Combining bibliometrics and social network analysis methods can support the mapping of dengue research and development (R&D) activities worldwide. The aim of this paper is to map the scientific scenario related to dengue research worldwide. We use scientific publication data from Web of Science Core Collection - articles indexed in Science Citation Index Expanded (SCI-EXPANDED) - and combine bibliometrics and social network analysis techniques to identify the most relevant journals, scientific references, research areas, countries and research organisations in the dengue scientific landscape. Our results show a significant increase of dengue publications over time; tropical medicine and virology as the most frequent research areas and biochemistry and molecular biology as the most central area in the network; USA and Brazil as the most productive countries; and Mahidol University and Fundação Oswaldo Cruz as the main research organisations and the Centres for Disease Control and Prevention as the most central organisation in the collaboration network. Our findings can be used to strengthen a global knowledge platform guiding policy, planning and funding decisions as well as to providing directions to researchers and institutions. So that, by offering to the scientific community, policy makers and public health practitioners a mapping of the dengue scientific landscape, this paper has aimed to contribute to upcoming debates, decision-making and planning on dengue R&D and public health strategies worldwide.

  16. Relationship between energy landscape and low-temperature dynamics of ±J spin glasses

    International Nuclear Information System (INIS)

    Kobe, S.; Krawczyk, J.

    2004-01-01

    Clusters and valleys in the exact low-energy landscape of finite Edwards-Anderson ±J spin glasses are related to the distribution of spin domains and free spins in the ground states. The time evolution of the spin correlation function reflects a walk through the landscape at a given temperature and shows typical glassy behaviour

  17. The importance of on-site evaluation for placing renewable energy in the landscape: A case study of the Búrfell wind farm (Iceland

    Directory of Open Access Journals (Sweden)

    Frantál Bohumil

    2017-12-01

    Full Text Available Using a case study of the Búrfell wind farm project, a large wind farm proposed in the Central Highlands of Iceland, the authors attempt to provide new insights into the factors shaping subjective landscape perceptions and attitudes to renewable energy developments, and into alternative methods that may be used for their assessment. The research was based on an on-site visit and actual experience of the place, investigated using a combination of mental mapping, the technique of the semantic differential and a questionnaire survey. The results show that participants visiting a landscape and using all sensory organs in combination with mental mapping, can reveal more important information than using only ‘laboratory’ methods with static photographs. The results suggest that the perception of landscape is highly subjective. Those perceiving the landscape as more open, homogenous, industrial, unfamiliar and resilient also consider it more compatible with wind turbines. The perception of the landscape’s compatibility with wind turbines proved to be a dominant factor shaping attitudes towards the project. The acceptance of wind turbines is not, however, inconsistent with the perception of landscape as beautiful, wild and unique. Participants from more densely populated countries and countries with a developed wind energy industry were more tolerant of wind turbines in the Icelandic landscape.

  18. Landscape and Energy%景观和能源

    Institute of Scientific and Technical Information of China (English)

    德克·西蒙斯; 李佳怿(译); 吴晓彤(校)

    2016-01-01

    research-through-design projects. The Rotterdam case is produced with local stakeholders for the 2014 ‘Landscape and Energy’ book publication. This land-oriented case is complemented by a project on the seascape of the North Sea as a future energy landscape in the IABR-2016 project 2050: An Energetic Odyssey. Especialy the last case not only justifies the conclusion that landscape architecture can play a role but also that research-by-design is a strong instrument to help in policy making.

  19. Energy dissipation mapping of cancer cells.

    Science.gov (United States)

    Dutta, Diganta; Palmer, Xavier-Lewis; Kim, Jinhyun; Qian, Shizhi; Stacey, Michael

    2018-02-01

    The purpose of this study is to map the energy dissipation of Jurkat cells using a single 60 nanosecond pulse electric field (NsPEF), primarily through atomic force microscopy (AFM). The phase shift is generated by the sample elements that do not have a heterogeneous surface. Monitoring and manipulating the phase shift is a powerful way for determining the dissipated energy and plotting the topography. The dissipated energy is a relative value, so the silica wafer and cover slip are given a set reference while the transmission of energy between the tip of the cantilever and cell surfaces is measured. The most important finding is that the magnitude and the number of variations in the dissipated energy change with the strength of NsPEF applied. Utilizing a single low field strength NsPEF (15kV/cm), minor changes in dissipated energy were found. The application of a single high field strength NsPEF (60kV/cm) to Jurkat cells resulted in a higher dissipated energy change versus that of in the low field strength condition. Thus, the dissipated energy from the Jurkat cells changes with the strength of NsPEF. By analyzing the forces via investigation in the tapping mode of the AFM, the stabilization of the cytoskeleton and membrane of the cell are related to the strength of NsPEF applied. Furthermore, the strength of NsPEF indicates a meaningful relationship to the survival of the Jurkat cells. Copyright © 2017 Elsevier Ltd. All rights reserved.

  20. Identifying Greater Sage-Grouse source and sink habitats for conservation planning in an energy development landscape.

    Science.gov (United States)

    Kirol, Christopher P; Beck, Jeffrey L; Huzurbazar, Snehalata V; Holloran, Matthew J; Miller, Scott N

    2015-06-01

    Conserving a declining species that is facing many threats, including overlap of its habitats with energy extraction activities, depends upon identifying and prioritizing the value of the habitats that remain. In addition, habitat quality is often compromised when source habitats are lost or fragmented due to anthropogenic development. Our objective was to build an ecological model to classify and map habitat quality in terms of source or sink dynamics for Greater Sage-Grouse (Centrocercus urophasianus) in the Atlantic Rim Project Area (ARPA), a developing coalbed natural gas field in south-central Wyoming, USA. We used occurrence and survival modeling to evaluate relationships between environmental and anthropogenic variables at multiple spatial scales and for all female summer life stages, including nesting, brood-rearing, and non-brooding females. For each life stage, we created resource selection functions (RSFs). We weighted the RSFs and combined them to form a female summer occurrence map. We modeled survival also as a function of spatial variables for nest, brood, and adult female summer survival. Our survival-models were mapped as survival probability functions individually and then combined with fixed vital rates in a fitness metric model that, when mapped, predicted habitat productivity (productivity map). Our results demonstrate a suite of environmental and anthropogenic variables at multiple scales that were predictive of occurrence and survival. We created a source-sink map by overlaying our female summer occurrence map and productivity map to predict habitats contributing to population surpluses (source habitats) or deficits (sink habitat) and low-occurrence habitats on the landscape. The source-sink map predicted that of the Sage-Grouse habitat within the ARPA, 30% was primary source, 29% was secondary source, 4% was primary sink, 6% was secondary sink, and 31% was low occurrence. Our results provide evidence that energy development and avoidance of

  1. Limitations to mapping habitat-use areas in changing landscapes using the Mahalanobis distance statistic

    Science.gov (United States)

    Knick, Steven T.; Rotenberry, J.T.

    1998-01-01

    We tested the potential of a GIS mapping technique, using a resource selection model developed for black-tailed jackrabbits (Lepus californicus) and based on the Mahalanobis distance statistic, to track changes in shrubsteppe habitats in southwestern Idaho. If successful, the technique could be used to predict animal use areas, or those undergoing change, in different regions from the same selection function and variables without additional sampling. We determined the multivariate mean vector of 7 GIS variables that described habitats used by jackrabbits. We then ranked the similarity of all cells in the GIS coverage from their Mahalanobis distance to the mean habitat vector. The resulting map accurately depicted areas where we sighted jackrabbits on verification surveys. We then simulated an increase in shrublands (which are important habitats). Contrary to expectation, the new configurations were classified as lower similarity relative to the original mean habitat vector. Because the selection function is based on a unimodal mean, any deviation, even if biologically positive, creates larger Malanobis distances and lower similarity values. We recommend the Mahalanobis distance technique for mapping animal use areas when animals are distributed optimally, the landscape is well-sampled to determine the mean habitat vector, and distributions of the habitat variables does not change.

  2. Potential and limitations of using soil mapping information to understand landscape hydrology

    Directory of Open Access Journals (Sweden)

    F. Terribile

    2011-12-01

    databases if full potential is to be achieved. Further, all the case studies agree on the appropriate degree of complexity of the soil hydrological model to be applied. We also emphasise that effective interaction between pedology and hydrology to address landscape hydrology requires (i greater awareness of the hydrological community about the type of soil information behind a soil map or a soil database, (ii the development of a better quantitative framework by the pedological community for evaluating hydrological features, and (iii quantitative information on soil spatial variability.

  3. Conference on landscape impacts of wind energy and local acceptance: France-Germany crossed views

    International Nuclear Information System (INIS)

    Bouscatel, Jerome; Olagne, Regis; Derkenne, Chantal; Galiano, Mila; Mayer, Joerg; Ratzbor, Guenter; Laborgne, Pia; Nadai, Alain; Ratouis, Marie-Odile; Schoebel-Rutschmann, Soeren; Petit, Jean-Francois; Guennewig, Dieter; Portales, David

    2008-01-01

    The French-German office for Renewable energies (OFAEnR) organised a conference on the landscape impacts of wind energy. In the framework of this French-German exchange of experience, more than 100 participants exchanged views on the environmental impact of wind farms and the opinion of residents. This document brings together the available presentations (slides) made during this event: 1 - French people and wind energy (Mila Galiano); 2 - Wind energy acceptance in Germany: an essential factor for the wind industry development (Joerg Mayer); 3 - Taking into account landscapes and residents in the development of wind farms: a France-Germany comparison (Pia Laborgne, Alain Nadai); 3 - Wind energy development supervision thanks to territorial planning in Germany (Guenter Ratzbor); 4 - Landscape challenges in wind energy development: point of view and role of a state decentralised department (Marie-Odile Ratouis); 5 - Park or landscape - Wind turbines as elements of the cultural landscape (Soeren Schoebel-Rutschmann); 6 - How should a developer approach the 'landscape' aspect when foreseeing a wind energy project installation (Jean-Francois Petit); 7 - More consensual wind energy projects along highways, railways and overhead power lines? (Dieter Guennewig); 8 - The 'wings top': un example of participatory and citizen's project (David Portales)

  4. Principles of the landscape-geochemical and radio-ecological mapping of the territory polluted by technogenic radionuclides

    International Nuclear Information System (INIS)

    Sobotovich, Eh.V.; Shestopalov, V.M.; Pushkarev, A.V.; Mezhdunardonyj Nauchnyj Tsentr' Institut Chernobylya' Ukrainskogo Otdeleniya Vsemirnoj Laboratorii, Kiev; Institut Sel'skokhozyajstvennoj Radiologii, Akademii Agrarnykh Nauk Ukrainy, Kiev; Gosudarstvennoe Geologicheskoe Predpriyatie 'Geoprogn oz' Goskomiteta Geologii i Ispol'zovaniya Nedr Ukrainy, Kiev; AN Ukrainskoj SSR, Kiev

    1993-01-01

    The conceptual and methodical principles of radio-ecological mapping of the territory polluted by radionuclides as a result of catastrophe at the Chernobyl Nuclear Power Plant are reported. The radio-ecological mapping is based on the landscape-geochemical mapping of the polluted territory which is regarded as a unique natural-technogenic geochemical province. The ecological risk for the inhabitants residing here depends both on the degree and nature of pollution by radionuclides and on the landscape-geochemical factors influencing the radionuclide redistribution and secondary accumulation in different biosphere elements. It is substantiated as necessary to compile three types of radio-ecological maps which are of different purpose: control over the economic activities, protection of the population viability, the prediction of radio-ecological situation and the informing of population

  5. Mapping Urban Green Infrastructure: A Novel Landscape-Based Approach to Incorporating Land Use and Land Cover in the Mapping of Human-Dominated Systems

    Directory of Open Access Journals (Sweden)

    Matthew Dennis

    2018-01-01

    Full Text Available Common approaches to mapping green infrastructure in urbanised landscapes invariably focus on measures of land use or land cover and associated functional or physical traits. However, such one-dimensional perspectives do not accurately capture the character and complexity of the landscapes in which urban inhabitants live. The new approach presented in this paper demonstrates how open-source, high spatial and temporal resolution data with global coverage can be used to measure and represent the landscape qualities of urban environments. Through going beyond simple metrics of quantity, such as percentage green and blue cover, it is now possible to explore the extent to which landscape quality helps to unpick the mixed evidence presented in the literature on the benefits of urban nature to human well-being. Here we present a landscape approach, employing remote sensing, GIS and data reduction techniques to map urban green infrastructure elements in a large U.K. city region. Comparison with existing urban datasets demonstrates considerable improvement in terms of coverage and thematic detail. The characterisation of landscapes, using census tracts as spatial units, and subsequent exploration of associations with social–ecological attributes highlights the further detail that can be uncovered by the approach. For example, eight urban landscape types identified for the case study city exhibited associations with distinct socioeconomic conditions accountable not only to quantities but also qualities of green and blue space. The identification of individual landscape features through simultaneous measures of land use and land cover demonstrated unique and significant associations between the former and indicators of human health and ecological condition. The approach may therefore provide a promising basis for developing further insight into processes and characteristics that affect human health and well-being in urban areas, both in the United

  6. The free energy landscape of small molecule unbinding.

    Directory of Open Access Journals (Sweden)

    Danzhi Huang

    2011-02-01

    Full Text Available The spontaneous dissociation of six small ligands from the active site of FKBP (the FK506 binding protein is investigated by explicit water molecular dynamics simulations and network analysis. The ligands have between four (dimethylsulphoxide and eleven (5-diethylamino-2-pentanone non-hydrogen atoms, and an affinity for FKBP ranging from 20 to 0.2 mM. The conformations of the FKBP/ligand complex saved along multiple trajectories (50 runs at 310 K for each ligand are grouped according to a set of intermolecular distances into nodes of a network, and the direct transitions between them are the links. The network analysis reveals that the bound state consists of several subbasins, i.e., binding modes characterized by distinct intermolecular hydrogen bonds and hydrophobic contacts. The dissociation kinetics show a simple (i.e., single-exponential time dependence because the unbinding barrier is much higher than the barriers between subbasins in the bound state. The unbinding transition state is made up of heterogeneous positions and orientations of the ligand in the FKBP active site, which correspond to multiple pathways of dissociation. For the six small ligands of FKBP, the weaker the binding affinity the closer to the bound state (along the intermolecular distance are the transition state structures, which is a new manifestation of Hammond behavior. Experimental approaches to the study of fragment binding to proteins have limitations in temporal and spatial resolution. Our network analysis of the unbinding simulations of small inhibitors from an enzyme paints a clear picture of the free energy landscape (both thermodynamics and kinetics of ligand unbinding.

  7. Dynamic energy landscapes of riboswitches help interpret conformational rearrangements and function.

    Directory of Open Access Journals (Sweden)

    Giulio Quarta

    Full Text Available Riboswitches are RNAs that modulate gene expression by ligand-induced conformational changes. However, the way in which sequence dictates alternative folding pathways of gene regulation remains unclear. In this study, we compute energy landscapes, which describe the accessible secondary structures for a range of sequence lengths, to analyze the transcriptional process as a given sequence elongates to full length. In line with experimental evidence, we find that most riboswitch landscapes can be characterized by three broad classes as a function of sequence length in terms of the distribution and barrier type of the conformational clusters: low-barrier landscape with an ensemble of different conformations in equilibrium before encountering a substrate; barrier-free landscape in which a direct, dominant "downhill" pathway to the minimum free energy structure is apparent; and a barrier-dominated landscape with two isolated conformational states, each associated with a different biological function. Sharing concepts with the "new view" of protein folding energy landscapes, we term the three sequence ranges above as the sensing, downhill folding, and functional windows, respectively. We find that these energy landscape patterns are conserved in various riboswitch classes, though the order of the windows may vary. In fact, the order of the three windows suggests either kinetic or thermodynamic control of ligand binding. These findings help understand riboswitch structure/function relationships and open new avenues to riboswitch design.

  8. Numerical evaluation of the statistical properties of a potential energy landscape

    International Nuclear Information System (INIS)

    Nave, E La; Sciortino, F; Tartaglia, P; Michele, C De; Mossa, S

    2003-01-01

    The techniques which allow the numerical evaluation of the statistical properties of the potential energy landscape for models of simple liquids are reviewed and critically discussed. Expressions for the liquid free energy and its vibrational and configurational components are reported. Finally, a possible model for the statistical properties of the landscape, which appears to describe correctly fragile liquids in the region where equilibrium simulations are feasible, is discussed

  9. MAPPING PROVISION OF LANDSCAPE-ENVIRONMENTAL SUSTAINABILITY FOR AREAS OF PRODUCTION, PROCESSING AND TRANSPORTATION OF HYDROCARBON RAW MATERIALS WITH USING REMOTE SENSING DATA AND GIS TECHNOLOGY

    Directory of Open Access Journals (Sweden)

    G. V. Geldieva

    2015-01-01

    Full Text Available The article describes the wide range of applications at all stages of development of hydrocarbon deposits mapping method. On the model region – Karachaganak gas condensate field to demonstrate the use of modern geoinformation technologies in creating a series of inventory and assessment of landscape-ecological maps, maps of general scientific content, maps application and purpose.

  10. Energy Development in Colorado's Pawnee National Grasslands: Mapping and Measuring the Disturbance Footprint of Renewables and Non-Renewables

    Science.gov (United States)

    Baynard, Chris W.; Mjachina, Ksenya; Richardson, Robert D.; Schupp, Robert W.; Lambert, J. David; Chibilyev, Alexander A.

    2017-06-01

    This paper examines the pattern and extent of energy development in steppe landscapes of northeast Colorado, United States. We compare the landscape disturbance created by oil and gas production to that of wind energy inside the Pawnee National Grasslands eastern side. This high-steppe landscape consists of a mosaic of federal, state, and private lands where dominant economic activities include ranching, agriculture, tourism, oil and gas extraction, and wind energy generation. Utilizing field surveys, remote sensing data and geographic information systems techniques, we quantify and map the footprint of energy development at the landscape level. Findings suggest that while oil and gas and wind energy development have resulted in a relatively small amount of habitat loss within the study area, the footprint stretches across the entire zone, fragmenting this mostly grassland habitat. Futhermore, a third feature of this landscape, the non-energy transportation network, was also found to have a significant impact. Combined, these three features fragment the entire Pawnee National Grasslands eastern side, leaving very few large intact core, or roadless areas. The primary objective of this ongoing work is to create a series of quantifiable and replicable surface disturbance indicators linked to energy production in semi-arid grassland environments. Based on these, and future results, we aim to work with industry and regulators to shape energy policy as it relates to environmental performance, with the aim of reducing the footprint and thus increasing the sustainability of these extractive activities.

  11. Energy Transition: Missed Opportunities and Emerging Challenges for Landscape Planning and Designing

    Directory of Open Access Journals (Sweden)

    Renée M. de Waal

    2014-07-01

    Full Text Available Making the shift from fossil fuels to renewable energy seems inevitable. Because energy transition poses new challenges and opportunities to the discipline of landscape architecture, the questions addressed in this paper are: (1 what landscape architects can learn from successful energy transitions in Güssing, Jühnde and Samsø; and (2 to what extent landscape architecture (or other spatial disciplines contributed to energy transition in the aforementioned cases. An exploratory, comparative case study was conducted to identify differences and similarities among the cases, to answer the research questions, and to formulate recommendations for further research and practice. The comparison indicated that the realized renewable energy systems are context-dependent and, therefore, specifically designed to meet the respective energy demand, making use of the available potentials for renewable energy generation and efficiency. Further success factors seemed to be the presence of (local frontrunners and a certain degree of citizen participation. The relatively smooth implementation of renewable energy technologies in Jühnde and on Samsø may indicate the importance of careful and (partly institutionalized consideration of landscape impact, siting and design. Comparing the cases against the literature demonstrated that landscape architects were not as involved as they, theoretically, could have been. However, particularly when the aim is sustainable development, rather than “merely” renewable energy provision, the integrative concept of “sustainable energy landscapes” can be the arena where landscape architecture and other disciplines meet to pursue global sustainability goals, while empowering local communities and safeguarding landscape quality.

  12. Mapping Landscape Friction to Locate Isolated Tsetse Populations that are Candidates for Elimination

    International Nuclear Information System (INIS)

    Bouyer, Jérémy; Dicko, Ahmadou H.; Cecchi, Giuliano; Ravel, Sophie; Solano, Philippe; Guerrini, Laure; Vreysen, Marc J. B.; De Meeûs, Thierry; Lancelot, Renaud

    2016-01-01

    Tsetse flies are the cyclical vectors of deadly human and animal trypanosomes in sub-Saharan Africa. Tsetse control is a key component for the integrated management of both plagues, but local eradication successes have been limited to less than 2% of the infested area. This is attributed to either resurgence of residual populations that were omitted from the eradication campaign or reinvasion from neighboring infested areas. Here we focused on Glossina palpalis gambiensis, a riverine tsetse species representing the main vector of trypanosomoses in West Africa. We mapped landscape resistance to tsetse genetic flow, hereafter referred to as friction, to identify natural barriers that isolate tsetse populations. For this purpose, we fitted a statistical model of the genetic distance between 37 tsetse populations sampled in the region, using a set of remotely sensed environmental data as predictors. The least-cost path between these populations was then estimated using the predicted friction map. The method enabled us to avoid the subjectivity inherent in the expert-based weighting of environmental parameters. Finally, we identified potentially isolated clusters of G. p. gambiensis habitat based on a species distribution model and ranked them according to their predicted genetic distance to the main tsetse population. The methodology presented here will inform the choice on the most appropriate intervention strategies to be implemented against tsetse flies in different parts of Africa. It can also be used to control other pests and to support conservation of endangered species. (author)

  13. Vegetation Water Content Mapping in a Diverse Agricultural Landscape: National Airborne Field Experiment 2006

    Science.gov (United States)

    Cosh, Michael H.; Jing Tao; Jackson, Thomas J.; McKee, Lynn; O'Neill, Peggy

    2011-01-01

    Mapping land cover and vegetation characteristics on a regional scale is critical to soil moisture retrieval using microwave remote sensing. In aircraft-based experiments such as the National Airborne Field Experiment 2006 (NAFE 06), it is challenging to provide accurate high resolution vegetation information, especially on a daily basis. A technique proposed in previous studies was adapted here to the heterogenous conditions encountered in NAFE 06, which included a hydrologically complex landscape consisting of both irrigated and dryland agriculture. Using field vegetation sampling and ground-based reflectance measurements, the knowledge base for relating the Normalized Difference Water Index (NDWI) and the vegetation water content was extended to a greater diversity of agricultural crops, which included dryland and irrigated wheat, alfalfa, and canola. Critical to the generation of vegetation water content maps, the land cover for this region was determined from satellite visible/infrared imagery and ground surveys with an accuracy of 95.5% and a kappa coefficient of 0.95. The vegetation water content was estimated with a root mean square error of 0.33 kg/sq m. The results of this investigation contribute to a more robust database of global vegetation water content observations and demonstrate that the approach can be applied with high accuracy. Keywords: Vegetation, field experimentation, thematic mapper, NDWI, agriculture.

  14. Reliable protein folding on non-funneled energy landscapes: the free energy reaction path

    OpenAIRE

    Lois, Gregg; Blawzdziewicz, Jerzy; O'Hern, Corey S.

    2008-01-01

    A theoretical framework is developed to study the dynamics of protein folding. The key insight is that the search for the native protein conformation is influenced by the rate r at which external parameters, such as temperature, chemical denaturant or pH, are adjusted to induce folding. A theory based on this insight predicts that (1) proteins with non-funneled energy landscapes can fold reliably to their native state, (2) reliable folding can occur as an equilibrium or out-of-equilibrium pro...

  15. Chemical Denaturants Smoothen Ruggedness on the Free Energy Landscape of Protein Folding.

    Science.gov (United States)

    Malhotra, Pooja; Jethva, Prashant N; Udgaonkar, Jayant B

    2017-08-08

    To characterize experimentally the ruggedness of the free energy landscape of protein folding is challenging, because the distributed small free energy barriers are usually dominated by one, or a few, large activation free energy barriers. This study delineates changes in the roughness of the free energy landscape by making use of the observation that a decrease in ruggedness is accompanied invariably by an increase in folding cooperativity. Hydrogen exchange (HX) coupled to mass spectrometry was used to detect transient sampling of local energy minima and the global unfolded state on the free energy landscape of the small protein single-chain monellin. Under native conditions, local noncooperative openings result in interconversions between Boltzmann-distributed intermediate states, populated on an extremely rugged "uphill" energy landscape. The cooperativity of these interconversions was increased by selectively destabilizing the native state via mutations, and further by the addition of a chemical denaturant. The perturbation of stability alone resulted in seven backbone amide sites exchanging cooperatively. The size of the cooperatively exchanging and/or unfolding unit did not depend on the extent of protein destabilization. Only upon the addition of a denaturant to a destabilized mutant variant did seven additional backbone amide sites exchange cooperatively. Segmentwise analysis of the HX kinetics of the mutant variants further confirmed that the observed increase in cooperativity was due to the smoothing of the ruggedness of the free energy landscape of folding of the protein by the chemical denaturant.

  16. Incorporating Renewable Energy Science in Regional Landscape Design: Results from a Competition in The Netherlands

    Directory of Open Access Journals (Sweden)

    Renée M. de Waal

    2015-04-01

    Full Text Available Energy transition is expected to make an important contribution to sustainable development. Although it is argued that landscape design could foster energy transition, there is scant empirical research on how practitioners approach this new challenge. The research question central to this study is: To what extent and how is renewable energy science incorporated in regional landscape design? To address this knowledge gap, a case study of a regional landscape design competition in the Netherlands, held from 2010–2012, is presented. Its focus was on integral, strategic landscape transformation with energy transition as a major theme. Content analysis of the 36 competition entries was supplemented and triangulated with a survey among the entrants, observation of the process and a study of the competition documents and website. Results indicated insufficient use of key-strategies elaborated by renewable energy science. If landscape design wants to adopt a supportive role towards energy transition, a well-informed and evidence-based approach is highly recommended. Nevertheless, promising strategies for addressing the complex process of ensuring sustainable energy transition also emerged. They include the careful cultivation of public support by developing inclusive and bottom-up processes, and balancing energy-conscious interventions with other land uses and interests.

  17. Mapping Ecosystem Service Bundles to Detect Distinct Types of Multifunctionality within the Diverse Landscape of the Yangtze River Basin, China

    Directory of Open Access Journals (Sweden)

    Lingqiao Kong

    2018-03-01

    Full Text Available The tradeoffs and synergies of ecosystem services are widely discussed and recognized. However, explicit information for understanding and managing the complex relationships of multiple ecosystem services at regional scales is still lacking, which often leads to the degradation of important ecosystem services due to one ecosystem service being enhanced over another. We assessed the biodiversity and the production of nine ESs (ecosystem services across 779 counties in the Yangtze River Basin, the largest basin in China. Then, we mapped the distribution of ES for each county and used correlations and “partitioning around medoids” clustering analysis to assess the existence of ES bundles. We found five distinct types of bundles of ecosystem services spatially agglomerated in the landscape, which could be mainly explained by land use, slope and altitude gradients. Our results also show landscape-scale tradeoffs between provisioning and almost all regulating services (and biodiversity, and synergies among almost all regulating services (and biodiversity. Mapping ecosystem service bundles can identify areas in a landscape where ecosystem management has produced exceptionally desirable or undesirable sets of ecosystem services, and can also provide explicit, tailored information on landscape planning for ecosystem service conservation and the design of payment policies for ecosystem services within diverse landscapes at watershed scales.

  18. Mapping the kinetic barriers of a Large RNA molecule's folding landscape.

    Directory of Open Access Journals (Sweden)

    Jörg C Schlatterer

    Full Text Available The folding of linear polymers into discrete three-dimensional structures is often required for biological function. The formation of long-lived intermediates is a hallmark of the folding of large RNA molecules due to the ruggedness of their energy landscapes. The precise thermodynamic nature of the barriers (whether enthalpic or entropic that leads to intermediate formation is still poorly characterized in large structured RNA molecules. A classic approach to analyzing kinetic barriers are temperature dependent studies analyzed with Eyring's transition state theory. We applied Eyring's theory to time-resolved hydroxyl radical (•OH footprinting kinetics progress curves collected at eight temperature from 21.5 °C to 51 °C to characterize the thermodynamic nature of folding intermediate formation for the Mg(2+-mediated folding of the Tetrahymena thermophila group I ribozyme. A common kinetic model configuration describes this RNA folding reaction over the entire temperature range studied consisting of primary (fast transitions to misfolded intermediates followed by much slower secondary transitions, consistent with previous studies. Eyring analysis reveals that the primary transitions are moderate in magnitude and primarily enthalpic in nature. In contrast, the secondary transitions are daunting in magnitude and entropic in nature. The entropic character of the secondary transitions is consistent with structural rearrangement of the intermediate species to the final folded form. This segregation of kinetic control reveals distinctly different molecular mechanisms during the two stages of RNA folding and documents the importance of entropic barriers to defining rugged RNA folding landscapes.

  19. Mapping land cover in urban residential landscapes using fine resolution imagery and object-oriented classification

    Science.gov (United States)

    A knowledge of different types of land cover in urban residential landscapes is important for building social and economic city-wide policies including landscape ordinances and water conservation programs. Urban landscapes are typically heterogeneous, so classification of land cover in these areas ...

  20. Application of Spaceborne Scatterometer for Mapping Freeze-Thaw State in Northern Landscapes as a Measure of Ecological and Hydrological Processes

    Science.gov (United States)

    McDonald, Kyle; Kimball, John; Zimmermann, Reiner; Way, JoBea; Frolking, Steve; Running, Steve

    1999-01-01

    Landscape freeze/thaw transitions coincide with marked shifts in albedo, surface energy and mass exchange, and associated snow dynamics. Monitoring landscape freeze/thaw dynamics would improve our ability to quantify the interannual variability of boreal hydrology and river runoff/flood dynamics. The annual duration of frost-free period also bounds the period of photosynthetic activity in boreal and arctic regions thus affecting the annual carbon budget and the interannual variability of regional carbon fluxes. In this study, we use the NASA scatterometer (NSCAT) to monitor the temporal change in the radar backscatter signature across selected ecoregions of the boreal zone. We have measured vegetation tissue temperatures, soil temperature profiles, and micrometeorological parameters in situ at selected sites along a north-south transect extending across Alaska from Prudhoe Bay to the Kenai Peninsula and in Siberia near the Yenisey River. Data from these stations have been used to quantify the scatterometer's sensitivity to freeze/thaw state under a variety of terrain and landcover conditions. Analysis of the NSCAT temporal response over the 1997 spring thaw cycle shows a 3 to 5 dB change in measured backscatter that is well correlated with the landscape springtime thaw process. Having verified the instrument's capability to monitor freeze/thaw transitions, regional scale mosaicked data are applied to derive temporal series of freeze/thaw transition maps for selected circumpolar high latitude regions. These maps are applied to derive areal extent of frozen and thawed landscape and demonstrate the utility of spaceborne radar for operational monitoring of seasonal freeze-thaw dynamics and associated biophysical processes for the circumpolar high latitudes.

  1. Landslide inventory map as a tool for landscape planning and management in Buzau Land Geopark

    Science.gov (United States)

    Tatu, Mihai; Niculae, Lucica; Popa, Răzvan-Gabriel

    2015-04-01

    Buzău Land is an aspiring Geopark in Romania, located in the mountainous region of the southern part of the Carpathian Bend Area. From a geologic point of view, the East Carpathians represent a segment of the Alpine - Carpathian orogene, and they are composed of numerous tectonic units put up throughout the Mesozoic and Cenozoic orogenesis. They represent a result of two compressional phases, (1) during Late Cretaceous and (2) during Early and Middle Miocene that were responsible for thrusting of internal units onto external units. The latter cover tectonically the Foredeep folded deposits. Landslides are one of the most widespread and dangerous natural hazards in this region, disrupting access routes and damaging property and habitats at least twice per year, in the rainy seasons. This hazard induces deep changes in the landscape and has serious economic consequences related to the damaging of infrastructure and isolation of localities. The proximity to the Vrancea seismogenic zone increases the risk of landslide triggering. A first step in observing the space and time tendency and amplitude of landslides, in order to distinguish the main vulnerabilities and estimate the risk, is to produce an inventory map. We shall present a landslide inventory map for the Buzău Land territory (~1036 km2), which is the primary base of information for further discussions regarding this phenomenon and an essential tool in observing the development of mass-wasting processes and in landscape planning. The inventory map is in accordance with the recommendations of the IAEG Commission on Landslides and other Mass-Movement, applied across the EU. Based on this work, we can already draw some remarks: - The Geopark territory mostly covers two major tectonic units of the East Carpathians: the external nappes and the folded foredeep; areas with landslide potential are common, but by far the highest landslide frequency is observed in the foredeep. This is related to the soft, argillaceous

  2. Use of radar remote sensing (RADARSAT) to map winter wetland habitat for shorebirds in an agricultural landscape.

    Science.gov (United States)

    Taft, Oriane W; Haig, Susan M; Kiilsgaard, Chris

    2004-05-01

    Many of today's agricultural landscapes once held vast amounts of wetland habitat for waterbirds and other wildlife. Successful restoration of these landscapes relies on access to accurate maps of the wetlands that remain. We used C-band (5.6-cm-wavelength), HH-polarized radar remote sensing (RADARSAT) at a 38 degrees incidence angle (8-m resolution) to map the distribution of winter shorebird (Charadriiformes) habitat on agricultural lands in the Willamette Valley of western Oregon. We acquired imagery on three dates (10 December 1999, 27 January 2000, and 15 March 2000) and simultaneously collected ground reference data to classify radar signatures and evaluate map accuracy of four habitat classes: (1) wet with 50% vegetation, (3) dry with 50% vegetation. Overall accuracy varied from 45 to 60% among the three images, but the accuracy of focal class 1 was greater, ranging from 72 to 80%. Class 4 coverage was stable and dominated maps (40% of mapped study area) for all three dates, while coverage of class 3 decreased slightly throughout the study period. Among wet classes, class 1 was most abundant (about 30% coverage) in December and January, decreasing in March to approximately 15%. Conversely, class 2 increased dramatically from January to March, likely due to transition from class 1 as vegetation grew. This approach was successful in detecting optimal habitat for shorebirds on agricultural lands. For modest classification schemes, radar remote sensing is a valuable option for wetland mapping in areas where cloud cover is persistent.

  3. Mapping the above and belowground biomass in three landscapes in Cameroon, Rwanda and DRC: pilot cases in REDD+ pilot project.

    Science.gov (United States)

    Sufo Kankeu, R.

    2017-12-01

    A number of biomass/carbon maps have been recently produced using different approaches and despite their comparison there is still a gap. To fill this gap there is a need to provide accurate maps based on the field data on all types of land use and land cover. Based on the field data from plots established in three pilot projects around Virunga National park in Rwanda, Tri-national Sangha landscape in Cameroon and lac Télé-Lac Tumba landscape in DRC, this paper intend to analyse the relationship between land use change and biomass and present the variability through biomass/carbon maps. The above and belowground biomass was calculated from 95 nested plots of 20 meters radius. The value of biomass/carbon per plot were thus used to elaborate carbon maps of each study site. In the same the way the correlation between the land use and underground and above ground carbon stock were analysed using geographically weighted regression. These data have been joint with classified Spot 5 image and aggregated to come out will acceptable result. Results show that there is a strong relationship between land use in various project sites and the carbon stock related, the change of a forest cover directly impact on carbon stock/biomass.in the same way carbon map realized base on field data and IDW, Kriging or spline module show an idea on the carbon distribution but the maps are not accurate giving the distance between plots,

  4. Effect of thematic map misclassification on landscape multi-metric assessment.

    Science.gov (United States)

    Kleindl, William J; Powell, Scott L; Hauer, F Richard

    2015-06-01

    Advancements in remote sensing and computational tools have increased our awareness of large-scale environmental problems, thereby creating a need for monitoring, assessment, and management at these scales. Over the last decade, several watershed and regional multi-metric indices have been developed to assist decision-makers with planning actions of these scales. However, these tools use remote-sensing products that are subject to land-cover misclassification, and these errors are rarely incorporated in the assessment results. Here, we examined the sensitivity of a landscape-scale multi-metric index (MMI) to error from thematic land-cover misclassification and the implications of this uncertainty for resource management decisions. Through a case study, we used a simplified floodplain MMI assessment tool, whose metrics were derived from Landsat thematic maps, to initially provide results that were naive to thematic misclassification error. Using a Monte Carlo simulation model, we then incorporated map misclassification error into our MMI, resulting in four important conclusions: (1) each metric had a different sensitivity to error; (2) within each metric, the bias between the error-naive metric scores and simulated scores that incorporate potential error varied in magnitude and direction depending on the underlying land cover at each assessment site; (3) collectively, when the metrics were combined into a multi-metric index, the effects were attenuated; and (4) the index bias indicated that our naive assessment model may overestimate floodplain condition of sites with limited human impacts and, to a lesser extent, either over- or underestimated floodplain condition of sites with mixed land use.

  5. Specificity and affinity quantification of flexible recognition from underlying energy landscape topography.

    Directory of Open Access Journals (Sweden)

    Xiakun Chu

    2014-08-01

    Full Text Available Flexibility in biomolecular recognition is essential and critical for many cellular activities. Flexible recognition often leads to moderate affinity but high specificity, in contradiction with the conventional wisdom that high affinity and high specificity are coupled. Furthermore, quantitative understanding of the role of flexibility in biomolecular recognition is still challenging. Here, we meet the challenge by quantifying the intrinsic biomolecular recognition energy landscapes with and without flexibility through the underlying density of states. We quantified the thermodynamic intrinsic specificity by the topography of the intrinsic binding energy landscape and the kinetic specificity by association rate. We found that the thermodynamic and kinetic specificity are strongly correlated. Furthermore, we found that flexibility decreases binding affinity on one hand, but increases binding specificity on the other hand, and the decreasing or increasing proportion of affinity and specificity are strongly correlated with the degree of flexibility. This shows more (less flexibility leads to weaker (stronger coupling between affinity and specificity. Our work provides a theoretical foundation and quantitative explanation of the previous qualitative studies on the relationship among flexibility, affinity and specificity. In addition, we found that the folding energy landscapes are more funneled with binding, indicating that binding helps folding during the recognition. Finally, we demonstrated that the whole binding-folding energy landscapes can be integrated by the rigid binding and isolated folding energy landscapes under weak flexibility. Our results provide a novel way to quantify the affinity and specificity in flexible biomolecular recognition.

  6. Impacts of renewable energy on landscape. Alternative of offshore wind in marine areas

    Directory of Open Access Journals (Sweden)

    Francesca Moraci

    2014-01-01

    Full Text Available The effects determined in the landscape by plants powered by renewable sources represent some unresolved issues in terms of visual and landscape impact mitigation in general. These aspects relate to the landscape are recognized in all types of impact with due attention to the various components and dynamics involved identifiable in the landscape of reference.The wind power plants, in particular, while making unquestionable environmental benefits thanks to the production of energy from renewable sources, but imposes a significant cost to the landscape with the installation of wind turbines in contexts necessarily favorable to impact,  interrupting the skyline, creating territorial discontinuities, "subtracting" and altering the landscape in the absence of effective mitigation works.The environmental compatibility of the proposed solutions depends primarily on the location of wind farms.Is necessary indicate  an overall strategy, a shared model of planning and land management, as in other European countries such as Denmark, Germany, France and the United Kingdom where the choice of locating wind farms has resulted in a new draft territory, construction and redesign of the landscape.

  7. Is the fenamate group a polymorphophore?: contrasting the crystal energy landscapes of fenamic and tolfenamic acids

    NARCIS (Netherlands)

    Uzoh, O.G.; Cruz-Cabeza, A.J.; Price, S. L.

    2012-01-01

    The concept of a polymorphophore was investigated by contrasting the crystal energy landscapes of monomorphic fenamic acid (2-(phenylamino)-benzoic acid, FA) and one of its highly polymorphic derivatives, tolfenamic acid (2-[(3-chloro-2-methylphenyl)amino]-benzoic acid, TA). The crystal energy

  8. Linking habitat selection to fitness-related traits in herbivores: the role of the energy landscape

    Science.gov (United States)

    Ryan A. Long; R. T. Bowyer; Warren P. Porter; Paul Mathewson; Kevin L. Monteith; Scott L. Findholt; Brian L. Dick; John G. Kie

    2016-01-01

    Animals may partially overcome environmental constraints on fitness by behaviorally adjusting their exposure to costs and supplies of energy. Few studies, however, have linked spatiotemporal variation in the energy landscape to behaviorally mediated measures of performance that ostensibly influence individual fitness. We hypothesized that strength of selection by North...

  9. Mapping of Ethiopian higher education institutions on clean energy

    Energy Technology Data Exchange (ETDEWEB)

    2011-04-15

    Norad commissioned Econ Poeyry to map teaching and research activities and capacity related to clean energy in selected Ethiopian universities. The mapping identified challenges and opportunities with the aim of facilitating future intervention by the Ethiopian Government and donors to help improve the energy sector development of the country. The report covered the government-owned universities of Bahir Dar, Mekelle, Jimma, Arba Minch and Addis Ababa. The mapping was based on a questionnaire and on interviews at each university. (Author)

  10. Energy Road-map 2050: Towards regional and local energy Road-maps. IMAGINE seminar 2011

    International Nuclear Information System (INIS)

    Maillot, Herve; Pidoux, Blandine

    2011-11-01

    The 2011 IMAGINE Seminar held in Brussels on 9 November 2011 united around fifty representatives from Energy Cities network member cities as well as representatives from the European Parliament and the Commission, various industrial sectors and civil society organisations. Participants were invited to share their visions of their action by 2040-2050 in a sustainable and desirable city, having achieved its energy transition. The spontaneous and inspiring discussions that followed broached the following questions: - What is and should be the role of the local level in the EU Energy Road-map? - What if European local authorities were to develop their own 'Energy 2050' Road-maps? - What local and regional policies can social and economic players use for contributing to achieving European targets? - Under what conditions is the 'low energy cities with a high quality of life for all' concept relevant? The debate helped outline a shared, global vision as a step towards European collective dynamics giving territories a major role in energy transition. At the end of the day, participants from very different backgrounds converged on the following key points: - Like European institutions, territories must develop a long-term vision, failing which they will be unable to take meaningful action, mobilise players and make the right decisions in the short-term. - The energy-territory relationship, from efficient energy use to supply policies, is a major democratic challenge. - Although a number of technologies are already available, they still have to be integrated so that citizens can satisfy their needs and become fully accountable for their energy use. - Energy strategies must help meet a number of local challenges: social and territorial cohesion, employment and economic development, environmental protection and quality of life. To do so, they need to be designed taking those they are supposed to serve, i.e. citizens, into consideration. - The interaction between local

  11. The inverted free energy landscape of an intrinsically disordered peptide by simulations and experiments.

    Science.gov (United States)

    Granata, Daniele; Baftizadeh, Fahimeh; Habchi, Johnny; Galvagnion, Celine; De Simone, Alfonso; Camilloni, Carlo; Laio, Alessandro; Vendruscolo, Michele

    2015-10-26

    The free energy landscape theory has been very successful in rationalizing the folding behaviour of globular proteins, as this representation provides intuitive information on the number of states involved in the folding process, their populations and pathways of interconversion. We extend here this formalism to the case of the Aβ40 peptide, a 40-residue intrinsically disordered protein fragment associated with Alzheimer's disease. By using an advanced sampling technique that enables free energy calculations to reach convergence also in the case of highly disordered states of proteins, we provide a precise structural characterization of the free energy landscape of this peptide. We find that such landscape has inverted features with respect to those typical of folded proteins. While the global free energy minimum consists of highly disordered structures, higher free energy regions correspond to a large variety of transiently structured conformations with secondary structure elements arranged in several different manners, and are not separated from each other by sizeable free energy barriers. From this peculiar structure of the free energy landscape we predict that this peptide should become more structured and not only more compact, with increasing temperatures, and we show that this is the case through a series of biophysical measurements.

  12. Control of the Effective Free-Energy Landscape in a Frustrated Magnet by a Field Pulse

    Science.gov (United States)

    Wan, Yuan; Moessner, Roderich

    2017-10-01

    Thermal fluctuations can lift the degeneracy of a ground state manifold, producing a free-energy landscape without accidentally degenerate minima. In a process known as order by disorder, a subset of states incorporating symmetry breaking may be selected. Here, we show that such a free-energy landscape can be controlled in a nonequilibrium setting as the slow motion within the ground state manifold is governed by the fast modes out of it. For the paradigmatic case of the classical pyrochlore X Y antiferromagnet, we show that a uniform magnetic field pulse can excite these fast modes to generate a tunable effective free-energy landscape with minima at thermodynamically unstable portions of the ground state manifold.

  13. Participatory mapping of landscape values in a Pan-European perspective

    DEFF Research Database (Denmark)

    García-Martín, María; Fagerholm, Nora; Bieling, Claudia

    2017-01-01

    Context: Human–nature interactions are reflected in the values people assign to landscapes. These values shape our understanding and actions as landscape co-creators, and need to be taken into account to achieve an integrated management of the landscape that involves civil society. Objectives......: The aim of this research was to increase the current knowledge on the most and least common landscape values perceived by local stakeholders, the patterns in the spatial distribution of values, and their connection to different socio-economic backgrounds and landscape characteristics across Europe....... Methods: The research consisted of a cross-site comparison study on how landscape values are perceived in six areas of Europe using Public Participation GIS surveys. Answers were analysed combining contingency tables, spatial autocorrelation and bivariate correlation methods, kernel densities, land cover...

  14. Low-Cost Mapping and Publishing Methods for Landscape Architectural Analysis and Design in Slum-Upgrading Projects

    Directory of Open Access Journals (Sweden)

    Jörg Rekittke

    2011-10-01

    Full Text Available The research project “Grassroots GIS” focuses on the development of low-cost mapping and publishing methods for slums and slum-upgrading projects in Manila. In this project smartphones, collaborative mapping and 3D visualization applications are systematically employed to support landscape architectural analysis and design work in the context of urban poverty and urban informal settlements. In this paper we focus on the description of the developed methods and present preliminary results of this work-in-progress.

  15. Integrated risk mapping and landscape characterisation of lymphatic filariasis and loiasis in South West Nigeria

    Directory of Open Access Journals (Sweden)

    Tara A. Brant

    2018-02-01

    showed denser forested areas in higher loiasis prevalence communities, and where low or no ICT positivity was found. Only one individual was found to be co-infected. GPS tracking of loiasis positive cases and controls also highlighted denser forested areas within higher loiasis risk communities and the sparser land cover in lower-risk communities. Mapping LF-loiasis distributions against landscape characteristics helped to highlight the micro-heterogeneity, identify potential SAE hotspots, and determine the safest and most appropriate treatment strategy.

  16. Evaluation of 137 Cs in Chernobyl landscapes: mapping surface migration balance as background for application of rehabilitation technologies

    International Nuclear Information System (INIS)

    Davydchuk, V.; Arapis, G.

    1995-01-01

    This work includes two maps of balance evaluation of 137 Cs horizontal migration in natural landscapes of Chernobyl zone. The first map shows the short-term balance, which reflects the evaluation of 137 Cs migration from present up to 20-30 years in future. the second map refers to the kong-term balance and represents a forecast of the radioecological situation 60-80 years from the accident. On the base of our evaluation the territory of 30-km zone of Chernobyl Nuclear Power Plant can be divided in three parts, approximately equal but slightly differentiated in time. In fact, the landscape of extreme-morainic ridge of Christogalovka presents a clear negative balance of 137 Cs both in short-term and in long-term aspects. Landscapes with negative balance of the 137 Cs occupy for short-term about 37 % and for long-term 41 % of the investigated territory. Neutral balance is expected for short- and long-term to be approximately 39 % and 35 % of the territory respectively. Positive balance is expected for approx. 24 % of the territory in both terms. The proposed evaluations are qualitative and they can be used as background for preparation of any decisions related to the application of decontamination technologies and its ecological consequences

  17. Quantifying the topography of the intrinsic energy landscape of flexible biomolecular recognition

    Science.gov (United States)

    Chu, Xiakun; Gan, Linfeng; Wang, Erkang; Wang, Jin

    2013-01-01

    Biomolecular functions are determined by their interactions with other molecules. Biomolecular recognition is often flexible and associated with large conformational changes involving both binding and folding. However, the global and physical understanding for the process is still challenging. Here, we quantified the intrinsic energy landscapes of flexible biomolecular recognition in terms of binding–folding dynamics for 15 homodimers by exploring the underlying density of states, using a structure-based model both with and without considering energetic roughness. By quantifying three individual effective intrinsic energy landscapes (one for interfacial binding, two for monomeric folding), the association mechanisms for flexible recognition of 15 homodimers can be classified into two-state cooperative “coupled binding–folding” and three-state noncooperative “folding prior to binding” scenarios. We found that the association mechanism of flexible biomolecular recognition relies on the interplay between the underlying effective intrinsic binding and folding energy landscapes. By quantifying the whole global intrinsic binding–folding energy landscapes, we found strong correlations between the landscape topography measure Λ (dimensionless ratio of energy gap versus roughness modulated by the configurational entropy) and the ratio of the thermodynamic stable temperature versus trapping temperature, as well as between Λ and binding kinetics. Therefore, the global energy landscape topography determines the binding–folding thermodynamics and kinetics, crucial for the feasibility and efficiency of realizing biomolecular function. We also found “U-shape” temperature-dependent kinetic behavior and a dynamical cross-over temperature for dividing exponential and nonexponential kinetics for two-state homodimers. Our study provides a unique way to bridge the gap between theory and experiments. PMID:23754431

  18. Connecting the kinetics and energy landscape of tRNA translocation on the ribosome.

    Directory of Open Access Journals (Sweden)

    Paul C Whitford

    Full Text Available Functional rearrangements in biomolecular assemblies result from diffusion across an underlying energy landscape. While bulk kinetic measurements rely on discrete state-like approximations to the energy landscape, single-molecule methods can project the free energy onto specific coordinates. With measures of the diffusion, one may establish a quantitative bridge between state-like kinetic measurements and the continuous energy landscape. We used an all-atom molecular dynamics simulation of the 70S ribosome (2.1 million atoms; 1.3 microseconds to provide this bridge for specific conformational events associated with the process of tRNA translocation. Starting from a pre-translocation configuration, we identified sets of residues that collectively undergo rotary rearrangements implicated in ribosome function. Estimates of the diffusion coefficients along these collective coordinates for translocation were then used to interconvert between experimental rates and measures of the energy landscape. This analysis, in conjunction with previously reported experimental rates of translocation, provides an upper-bound estimate of the free-energy barriers associated with translocation. While this analysis was performed for a particular kinetic scheme of translocation, the quantitative framework is general and may be applied to energetic and kinetic descriptions that include any number of intermediates and transition states.

  19. Another possible energy landscape; Un autre paysage energetique possible

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2002-06-01

    This analysis presents the national energy balances from the national energy accounting. The first part presents the accounting analysis on the electric power consumption and production in France. The second part deals with the global energy accounting, for the energy sources and utilization, together. From these analysis the authors show how the global energy efficiency of production and utilization is possible. Solutions allowing the reduction of the non renewable energies consumption and solution for the nuclear power phaseout are also proposed. (A.L.B.)

  20. Exploring the free energy landscape: from dynamics to networks and back.

    Directory of Open Access Journals (Sweden)

    Diego Prada-Gracia

    2009-06-01

    Full Text Available Knowledge of the Free Energy Landscape topology is the essential key to understanding many biochemical processes. The determination of the conformers of a protein and their basins of attraction takes a central role for studying molecular isomerization reactions. In this work, we present a novel framework to unveil the features of a Free Energy Landscape answering questions such as how many meta-stable conformers there are, what the hierarchical relationship among them is, or what the structure and kinetics of the transition paths are. Exploring the landscape by molecular dynamics simulations, the microscopic data of the trajectory are encoded into a Conformational Markov Network. The structure of this graph reveals the regions of the conformational space corresponding to the basins of attraction. In addition, handling the Conformational Markov Network, relevant kinetic magnitudes as dwell times and rate constants, or hierarchical relationships among basins, completes the global picture of the landscape. We show the power of the analysis studying a toy model of a funnel-like potential and computing efficiently the conformers of a short peptide, dialanine, paving the way to a systematic study of the Free Energy Landscape in large peptides.

  1. Mapping the Linguistic Landscape of Athens: The Case of Shop Signs

    Science.gov (United States)

    Nikolaou, Alexander

    2017-01-01

    This paper focuses on the linguistic composition of commercial signs in the linguistic landscape (LL) of Athens, Greece. Previous studies have mainly been carried out in officially multilingual and multi-ethnic areas [Ben-Rafael, E., Shohamy, E., Amara, M. H., & Trumper-Hecht, N. (2006). "Linguistic landscape as symbolic construction of…

  2. Human relationships to fire prone ecosystems: Mapping values at risk on contested landscapes

    Science.gov (United States)

    Kari Gunderson; Steve Carver; Brett H. Davis

    2011-01-01

    A key problem in developing a better understanding of different responses to landscape level management actions, such as fuel treatments, is being able to confidently record and accurately spatially delineate the meanings stakeholders ascribe to the landscape. To more accurately understand these relationships with the Bitterroot National Forest, Montana, U.S.A., local...

  3. Enhanced-Resolution Satellite Microwave Brightness Temperature Records for Mapping Boreal-Arctic Landscape Freeze-Thaw Heterogeneity

    Science.gov (United States)

    Kim, Y.; Du, J.; Kimball, J. S.

    2017-12-01

    The landscape freeze-thaw (FT) status derived from satellite microwave remote sensing is closely linked to vegetation phenology and productivity, surface energy exchange, evapotranspiration, snow/ice melt dynamics, and trace gas fluxes over land areas affected by seasonally frozen temperatures. A long-term global satellite microwave Earth System Data Record of daily landscape freeze-thaw status (FT-ESDR) was developed using similar calibrated 37GHz, vertically-polarized (V-pol) brightness temperatures (Tb) from SMMR, SSM/I, and SSMIS sensors. The FT-ESDR shows mean annual spatial classification accuracies of 90.3 and 84.3 % for PM and AM overpass retrievals relative surface air temperature (SAT) measurement based FT estimates from global weather stations. However, the coarse FT-ESDR gridding (25-km) is insufficient to distinguish finer scale FT heterogeneity. In this study, we tested alternative finer scale FT estimates derived from two enhanced polar-grid (3.125-km and 6-km resolution), 36.5 GHz V-pol Tb records derived from calibrated AMSR-E and AMSR2 sensor observations. The daily FT estimates are derived using a modified seasonal threshold algorithm that classifies daily Tb variations in relation to grid cell-wise FT thresholds calibrated using ERA-Interim reanalysis based SAT, downscaled using a digital terrain map and estimated temperature lapse rates. The resulting polar-grid FT records for a selected study year (2004) show mean annual spatial classification accuracies of 90.1% (84.2%) and 93.1% (85.8%) for respective PM (AM) 3.125km and 6-km Tb retrievals relative to in situ SAT measurement based FT estimates from regional weather stations. Areas with enhanced FT accuracy include water-land boundaries and mountainous terrain. Differences in FT patterns and relative accuracy obtained from the enhanced grid Tb records were attributed to several factors, including different noise contributions from underlying Tb processing and spatial mismatches between Tb

  4. Deciphering hierarchical features in the energy landscape of adenylate kinase folding/unfolding

    Science.gov (United States)

    Taylor, J. Nicholas; Pirchi, Menahem; Haran, Gilad; Komatsuzaki, Tamiki

    2018-03-01

    Hierarchical features of the energy landscape of the folding/unfolding behavior of adenylate kinase, including its dependence on denaturant concentration, are elucidated in terms of single-molecule fluorescence resonance energy transfer (smFRET) measurements in which the proteins are encapsulated in a lipid vesicle. The core in constructing the energy landscape from single-molecule time-series across different denaturant concentrations is the application of rate-distortion theory (RDT), which naturally considers the effects of measurement noise and sampling error, in combination with change-point detection and the quantification of the FRET efficiency-dependent photobleaching behavior. Energy landscapes are constructed as a function of observation time scale, revealing multiple partially folded conformations at small time scales that are situated in a superbasin. As the time scale increases, these denatured states merge into a single basin, demonstrating the coarse-graining of the energy landscape as observation time increases. Because the photobleaching time scale is dependent on the conformational state of the protein, possible nonequilibrium features are discussed, and a statistical test for violation of the detailed balance condition is developed based on the state sequences arising from the RDT framework.

  5. Performance maps for the control of thermal energy storage

    DEFF Research Database (Denmark)

    Finck, Christian; Li, Rongling; Zeiler, Wim

    2017-01-01

    Predictive control in building energy systems requires the integration of the building, building system, and component dynamics. The prediction accuracy of these dynamics is crucial for practical applications. This paper introduces performance maps for the control of water tanks, phase change mat...... material tanks, and thermochemical material tanks. The results show that these performance maps can fully account for the dynamics of thermal energy storage tanks.......Predictive control in building energy systems requires the integration of the building, building system, and component dynamics. The prediction accuracy of these dynamics is crucial for practical applications. This paper introduces performance maps for the control of water tanks, phase change...

  6. Direct design of an energy landscape with bistable DNA origami mechanisms.

    Science.gov (United States)

    Zhou, Lifeng; Marras, Alexander E; Su, Hai-Jun; Castro, Carlos E

    2015-03-11

    Structural DNA nanotechnology provides a feasible technique for the design and fabrication of complex geometries even exhibiting controllable dynamic behavior. Recently we have demonstrated the possibility of implementing macroscopic engineering design approaches to construct DNA origami mechanisms (DOM) with programmable motion and tunable flexibility. Here, we implement the design of compliant DNA origami mechanisms to extend from prescribing motion to prescribing an energy landscape. Compliant mechanisms facilitate motion via deformation of components with tunable stiffness resulting in well-defined mechanical energy stored in the structure. We design, fabricate, and characterize a DNA origami nanostructure with an energy landscape defined by two stable states (local energy minima) separated by a designed energy barrier. This nanostructure is a four-bar bistable mechanism with two undeformed states. Traversing between those states requires deformation, and hence mechanical energy storage, in a compliant arm of the linkage. The energy barrier for switching between two states was obtained from the conformational distribution based on a Boltzmann probability function and closely follows a predictive mechanical model. Furthermore, we demonstrated the ability to actuate the mechanism into one stable state via additional DNA inputs and then release the actuation via DNA strand displacement. This controllable multistate system establishes a foundation for direct design of energy landscapes that regulate conformational dynamics similar to biomolecular complexes.

  7. Modeling hydrologic and geomorphic hazards across post-fire landscapes using a self-organizing map approach

    Science.gov (United States)

    Friedel, Michael J.

    2011-01-01

    Few studies attempt to model the range of possible post-fire hydrologic and geomorphic hazards because of the sparseness of data and the coupled, nonlinear, spatial, and temporal relationships among landscape variables. In this study, a type of unsupervised artificial neural network, called a self-organized map (SOM), is trained using data from 540 burned basins in the western United States. The sparsely populated data set includes variables from independent numerical landscape categories (climate, land surface form, geologic texture, and post-fire condition), independent landscape classes (bedrock geology and state), and dependent initiation processes (runoff, landslide, and runoff and landslide combination) and responses (debris flows, floods, and no events). Pattern analysis of the SOM-based component planes is used to identify and interpret relations among the variables. Application of the Davies-Bouldin criteria following k-means clustering of the SOM neurons identified eight conceptual regional models for focusing future research and empirical model development. A split-sample validation on 60 independent basins (not included in the training) indicates that simultaneous predictions of initiation process and response types are at least 78% accurate. As climate shifts from wet to dry conditions, forecasts across the burned landscape reveal a decreasing trend in the total number of debris flow, flood, and runoff events with considerable variability among individual basins. These findings suggest the SOM may be useful in forecasting real-time post-fire hazards, and long-term post-recovery processes and effects of climate change scenarios.

  8. Free-energy landscape of protein oligomerization from atomistic simulations

    Science.gov (United States)

    Barducci, Alessandro; Bonomi, Massimiliano; Prakash, Meher K.; Parrinello, Michele

    2013-01-01

    In the realm of protein–protein interactions, the assembly process of homooligomers plays a fundamental role because the majority of proteins fall into this category. A comprehensive understanding of this multistep process requires the characterization of the driving molecular interactions and the transient intermediate species. The latter are often short-lived and thus remain elusive to most experimental investigations. Molecular simulations provide a unique tool to shed light onto these complex processes complementing experimental data. Here we combine advanced sampling techniques, such as metadynamics and parallel tempering, to characterize the oligomerization landscape of fibritin foldon domain. This system is an evolutionarily optimized trimerization motif that represents an ideal model for experimental and computational mechanistic studies. Our results are fully consistent with previous experimental nuclear magnetic resonance and kinetic data, but they provide a unique insight into fibritin foldon assembly. In particular, our simulations unveil the role of nonspecific interactions and suggest that an interplay between thermodynamic bias toward native structure and residual conformational disorder may provide a kinetic advantage. PMID:24248370

  9. Designing sustainable energy landscapes : concepts, principles and procedures

    NARCIS (Netherlands)

    Stremke, S.

    2010-01-01

    The depletion of fossil fuels, in combination with climate change, necessitates a transition to sustainable energy systems. Such systems are characterized by a decreased energy demand and an increase in the use of renewables. The objective of this dissertation is to advance the planning and design

  10. Enhanced conformational sampling to visualize a free-energy landscape of protein complex formation.

    Science.gov (United States)

    Iida, Shinji; Nakamura, Haruki; Higo, Junichi

    2016-06-15

    We introduce various, recently developed, generalized ensemble methods, which are useful to sample various molecular configurations emerging in the process of protein-protein or protein-ligand binding. The methods introduced here are those that have been or will be applied to biomolecular binding, where the biomolecules are treated as flexible molecules expressed by an all-atom model in an explicit solvent. Sampling produces an ensemble of conformations (snapshots) that are thermodynamically probable at room temperature. Then, projection of those conformations to an abstract low-dimensional space generates a free-energy landscape. As an example, we show a landscape of homo-dimer formation of an endothelin-1-like molecule computed using a generalized ensemble method. The lowest free-energy cluster at room temperature coincided precisely with the experimentally determined complex structure. Two minor clusters were also found in the landscape, which were largely different from the native complex form. Although those clusters were isolated at room temperature, with rising temperature a pathway emerged linking the lowest and second-lowest free-energy clusters, and a further temperature increment connected all the clusters. This exemplifies that the generalized ensemble method is a powerful tool for computing the free-energy landscape, by which one can discuss the thermodynamic stability of clusters and the temperature dependence of the cluster networks. © 2016 The Author(s).

  11. Relaxation height in energy landscapes : an application to multiple metastable states

    NARCIS (Netherlands)

    Cirillo, E.N.M.; Nardi, F.R.

    2012-01-01

    The study of systems with multiple (not necessarily degenerate) metastable states presents subtle difficulties from the mathematical point of view related to the variational problem that has to be solved in these cases. We introduce the notion of relaxation height in a general energy landscape and

  12. Probing the Free Energy Landscape of the FBP28 WW Domain Using Multiple Techniques

    NARCIS (Netherlands)

    Periole, Xavier; Allen, Lucy R.; Tamiola, Kamil; Mark, Alan E.; Paci, Emanuele

    The free-energy landscape of a small protein, the FBP 28 WW domain, has been explored using molecular dynamics (MD) simulations with alternative descriptions of the molecule. The molecular models used range from coarse-grained to all-atom with either an implicit or explicit treatment of the solvent.

  13. Remote sensing mapping of carbon and energy fluxes over forests

    NARCIS (Netherlands)

    Roerink, G.J.; Wit, de A.J.W.; Pelgrum, H.; Mücher, C.A.

    2001-01-01

    This report presents the results of the EU project "Carbon and water fluxes of Mediterranean forests and impacts of land use/cover changes". The objectives of the project can be summarized as follows: (I) surface energy balance mapping using remote sensing, (ii) carbon uptake mapping using remote

  14. Soil map disaggregation improved by soil-landscape relationships, area-proportional sampling and random forest implementation

    DEFF Research Database (Denmark)

    Møller, Anders Bjørn; Malone, Brendan P.; Odgers, Nathan

    implementation generally improved the algorithm’s ability to predict the correct soil class. The implementation of soil-landscape relationships and area-proportional sampling generally increased the calculation time, while the random forest implementation reduced the calculation time. In the most successful......Detailed soil information is often needed to support agricultural practices, environmental protection and policy decisions. Several digital approaches can be used to map soil properties based on field observations. When soil observations are sparse or missing, an alternative approach...... is to disaggregate existing conventional soil maps. At present, the DSMART algorithm represents the most sophisticated approach for disaggregating conventional soil maps (Odgers et al., 2014). The algorithm relies on classification trees trained from resampled points, which are assigned classes according...

  15. Method II : The energy-momentum map

    NARCIS (Netherlands)

    Broer, H.; Hoveijn, I.; Lunter, G.; Vegter, G.

    2003-01-01

    In this chapter we apply the energy–momentum map reduction method to the same class of systems as in Chap. 2, namely two degree-of-freedom systems with optional symmetry, near equilibrium and close to resonance. We calculate the tangent space and nondegeneracy conditions for the 1:2, 1:3 and 1:4

  16. Mapping the Energy-Water Nexus around the Pacific Rim

    Energy Technology Data Exchange (ETDEWEB)

    Tidwell, Vincent C. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States); Moreland, Barbara Denise [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

    2016-01-01

    The energy-water nexus has been mapped for almost 12,000 watersheds distributed across the 21-economies comprising the Asia-Pacific Economic Cooperation. Water consumption for energy production was estimated for 9 different sectors including thermoelectric and hydroelectric power; energy extraction including coal, oil, natural gas, uranium and unconventional oil/gas; and, energy processing including oil and biofuels. Conversely, the energy consumed providing water services was mapped for three sectors, drinking water, waste water and seawater desalination. These measures of resource use were put in context by drawing comparison with published measures of water risk. The objective of the mapping was to quantify the energy-water nexus and its variability at the subnational level, pinpoint potential vulnerabilities, and identify opportunities for international collaboration.

  17. Conjugate gradient filtering of instantaneous normal modes, saddles on the energy landscape, and diffusion in liquids.

    Science.gov (United States)

    Chowdhary, J; Keyes, T

    2002-02-01

    Instantaneous normal modes (INM's) are calculated during a conjugate-gradient (CG) descent of the potential energy landscape, starting from an equilibrium configuration of a liquid or crystal. A small number (approximately equal to 4) of CG steps removes all the Im-omega modes in the crystal and leaves the liquid with diffusive Im-omega which accurately represent the self-diffusion constant D. Conjugate gradient filtering appears to be a promising method, applicable to any system, of obtaining diffusive modes and facilitating INM theory of D. The relation of the CG-step dependent INM quantities to the landscape and its saddles is discussed.

  18. The relative importance of physical and biological energy in landscape evolution

    Science.gov (United States)

    Turowski, J. M.; Schwanghart, W.

    2017-12-01

    Landscapes are formed by the interplay of uplift and geomorphic processes, including interacting and competing physical and biological processes. For example, roots re-inforce soil and thereby stabilize hillslopes and the canopy cover of the forest may mediate the impact of precipitation. Furthermore, plants and animals act as geomorphic agents, directly altering landscape response and dynamics by their actions: tree roots may crack rocks, thus changing subsurface water flows and exposing fresh material for denudation; fungi excrete acids that accelerate rates of chemical weathering, and burrowing animals displace soil and rocks while digging holes for shelter or in search of food. Energetically, landscapes can be viewed as open systems in which topography stores potential energy above a base level. Tectonic processes add energy to the system by uplift and mechanically altering rock properties. Especially in unvegetated regions, erosion and transport by wind can be an important geomorphic process. Advection of atmospheric moisture in high altitudes provides potential energy that is converted by water fluxes through catchments. At the same time, the conversion of solar energy through atmospheric and biological processes drives primary production of living organisms. If we accept that biota influence geomorphic processes, then what is their energetic contribution to landscape evolution relative to physical processes? Using two case studies, we demonstrate that all components of energy input are negligible apart from biological production, quantified by net primary productivity (NPP) and potential energy conversion by water that is placed high up in the landscape as rainfall and leaves it as runoff. Assuming that the former is representative for biological energy and the latter for physical energy, we propose that the ratio of these two values can be used as a proxy for the relative importance of biological and physical processes in landscape evolution. All necessary

  19. The Landscape of Renewable Energies in Europe in 2030

    International Nuclear Information System (INIS)

    Cruciani, Michel

    2017-06-01

    The study analyses the European rules designed to promote renewable energy, highlighting their innovations and the difficulties they will raise. The study highlights the consequences of some of the measures envisaged and pays particular attention to the electricity market. On 30 November 2016, the European Commission issued a new set of proposals, the 'Clean Energy Package', covering a wide spectrum of activities. This study analyses the provisions of this package which aim at improving energy efficiency by 30% and giving renewable energy a share of 27% of consumption by 2030. In 2014, Member States had called for these objectives to be assessed for the entire European Union. Nevertheless the Commission wishes to obtain a mandate to check that each State makes an honest contribution to the collective effort. The study stresses that the 30% target for energy efficiency weakens the role of the CO_2 market. The simulations reveal that this weakness will benefit coal, which keeps in 2030 a higher share than it would have occupied with a target of 27%, whereas natural gas is penalized by a low CO_2 price. It also appears that by remaining too low, the price of CO_2 will discourage certain investments in favour of renewable energies that would have naturally emerged with a high price. Therefore it will be necessary to roll out costly public policies to trigger these investments, so that the share of these energies totals 27% by 2030. The simulations also show that the renewable energy target will be largely achieved through very rapid growth of wind and solar power. The proposals of 30 November 2016 hence are drafted to encourage the development of these two sectors by reforming the electricity market so that it establishes a price that is remunerative and reduces the need for public aid, while clearly reflecting the burdens generated by the different actors. It seems unlikely that the Member States will accept such a profound market reform as the Commission envisages

  20. Global optimization of proteins using a dynamical lattice model: Ground states and energy landscapes

    OpenAIRE

    Dressel, F.; Kobe, S.

    2004-01-01

    A simple approach is proposed to investigate the protein structure. Using a low complexity model, a simple pairwise interaction and the concept of global optimization, we are able to calculate ground states of proteins, which are in agreement with experimental data. All possible model structures of small proteins are available below a certain energy threshold. The exact lowenergy landscapes for the trp cage protein (1L2Y) is presented showing the connectivity of all states and energy barriers.

  1. Preliminary Assessment of JERS-1 SAR to Discriminating Boreal Landscape Features for the Boreal Forest Mapping Project

    Science.gov (United States)

    McDonald, Kyle; Williams, Cynthia; Podest, Erika; Chapman, Bruce

    1999-01-01

    This paper presents an overview of the JERS-1 North American Boreal Forest Mapping Project and a preliminary assessment of JERS-1 SAR imagery for application to discriminating features applicable to boreal landscape processes. The present focus of the JERS-1 North American Boreal Forest Mapping Project is the production of continental scale wintertime and summertime SAR mosaics of the North American boreal forest for distribution to the science community. As part of this effort, JERS-1 imagery has been collected over much of Alaska and Canada during the 1997-98 winter and 1998 summer seasons. To complete the mosaics, these data will be augmented with data collected during previous years. These data will be made available to the scientific community via CD ROM containing these and similar data sets compiled from companion studies of Asia and Europe. Regional landscape classification with SAR is important for the baseline information it will provide about distribution of woodlands, positions of treeline, current forest biomass, distribution of wetlands, and extent of major rivercourses. As well as setting the stage for longer term change detection, comparisons across several years provides additional baseline information about short-term landscape change. Rapid changes, including those driven by fire, permafrost heat balance, flooding, and insect outbreaks can dominate boreal systems. We examine JERS-1 imagery covering selected sites in Alaska and Canada to assess quality and applicability to such relevant ecological and hydrological issues. The data are generally of high quality and illustrate many potential applications. A texture-based classification scheme is applied to selected regions to assess the applicability of these data for distinguishing distribution of such landcover types as wetland, tundra, woodland and forested landscapes.

  2. Cowichan Valley energy mapping and modelling. Report 5 - Energy density mapping projections. Final report. [Vancouver Island, Canada

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2012-06-15

    The driving force behind the Integrated Energy Mapping and Analysis project was the identification and analysis of a suite of pathways that the Cowichan Valley Regional District (CVRD) can utilise to increase its energy resilience, as well as reduce energy consumption and GHG emissions, with a primary focus on the residential sector. Mapping and analysis undertaken will support provincial energy and GHG reduction targets, and the suite of pathways outlined will address a CVRD internal target that calls for 75% of the region's energy within the residential sector to come from locally sourced renewables by 2050. The target has been developed as a mechanism to meet resilience and climate action target. The maps and findings produced are to be integrated as part of a regional policy framework currently under development. Task 5 focused on energy projection mapping to estimate and visualise the energy consumption density and GHG emissions under different scenarios. The scenarios from task 4 were built around the energy consumption density of the residential sector under future land use patterns and rely on different energy source combinations (the suite of pathways). In task 5 the energy usage under the different scenarios were fed back into GIS, thereby giving a visual representation of forecasted residential energy consumption per unit area. The methodology is identical to that used in task 2 where current usage was mapped, whereas the mapping in this task is for future forecasts. These results are documented in this report. In addition, GHG mapping under the various scenarios was also undertaken. (LN)

  3. Calculation of the Local Free Energy Landscape in the Restricted Region by the Modified Tomographic Method.

    Science.gov (United States)

    Chen, Changjun

    2016-03-31

    The free energy landscape is the most important information in the study of the reaction mechanisms of the molecules. However, it is difficult to calculate. In a large collective variable space, a molecule must take a long time to obtain the sufficient sampling during the simulation. To save the calculation quantity, decreasing the sampling region and constructing the local free energy landscape is required in practice. However, the restricted region in the collective variable space may have an irregular shape. Simply restricting one or more collective variables of the molecule cannot satisfy the requirement. In this paper, we propose a modified tomographic method to perform the simulation. First, it divides the restricted region by some hyperplanes and connects the centers of hyperplanes together by a curve. Second, it forces the molecule to sample on the curve and the hyperplanes in the simulation and calculates the free energy data on them. Finally, all the free energy data are combined together to form the local free energy landscape. Without consideration of the area outside the restricted region, this free energy calculation can be more efficient. By this method, one can further optimize the path quickly in the collective variable space.

  4. Mapping Plant Diversity and Composition Across North Carolina Piedmont Forest Landscapes Using Lidar-Hyperspectral Remote Sensing

    Science.gov (United States)

    Hakkenberg, Christopher R.

    Forest modification, from local stress to global change, has given rise to efforts to model, map, and monitor critical properties of forest communities like structure, composition, and diversity. Predictive models based on data from spatially-nested field plots and LiDAR-hyperspectral remote sensing systems are one particularly effective means towards the otherwise prohibitively resource-intensive task of consistently characterizing forest community dynamics at landscape scales. However, to date, most predictive models fail to account for actual (rather than idealized) species and community distributions, are unsuccessful in predicting understory components in structurally and taxonomically heterogeneous forests, and may suffer from diminished predictive accuracy due to incongruity in scale and precision between field plot samples, remotely-sensed data, and target biota of varying size and density. This three-part study addresses these and other concerns in the modeling and mapping of emergent properties of forest communities by shifting the scope of prediction from the individual or taxon to the whole stand or community. It is, after all, at the stand scale where emergent properties like functional processes, biodiversity, and habitat aggregate and manifest. In the first study, I explore the relationship between forest structure (a proxy for successional demographics and resource competition) and tree species diversity in the North Carolina Piedmont, highlighting the empirical basis and potential for utilizing forest structure from LiDAR in predictive models of tree species diversity. I then extend these conclusions to map landscape pattern in multi-scale vascular plant diversity as well as turnover in community-continua at varying compositional resolutions in a North Carolina Piedmont landscape using remotely-sensed LiDAR-hyperspectral estimates of topography, canopy structure, and foliar biochemistry. Recognizing that the distinction between correlation and

  5. The energy landscape of a selective tumor-homing pentapeptide

    Science.gov (United States)

    Zanuy, David; Flores-Ortega, Alejandra; Casanovas, Jordi; Curco, David; Nussinov, Ruth; Aleman, Carlos

    2009-01-01

    Recently, a potentially powerful strategy based on the of phage-display libraries has been presented to target tumors via homing peptides attached to nanoparticles. The Cys-Arg-Glu-Lys-Ala (CREKA) peptide sequence has been identified as a tumor-homing peptide that binds to clotted plasmas proteins present in tumor vessels and interstitium. The aim of this work consists of mapping the conformational profile of CREKA to identify the bioactive conformation. For this purpose, a conformational search procedure based on modified Simulated Annealing combined with Molecular Dynamics was applied to three systems that mimic the experimentally used conditions: (i) the free peptide; (ii) the peptide attached to a nanoparticle; and (iii) the peptide inserted in a phage display protein. In addition, the free peptide was simulated in an ionized aqueous solution environment, which mimics the ionic strength of the physiological medium. Accessible minima of all simulated systems reveal a multiple interaction pattern involving the ionized side chains of Arg, Glu and Lys, which induces a β-turn motif in the backbone observed in all simulated CREKA systems. PMID:18588341

  6. Low Energy Supersymmetry from the Heterotic String Landscape

    CERN Document Server

    Lebedev, O; Raby, S; Ramos-Sanchez, S; Ratz, M; Vaudrevange, P K S; Wingerter, A; Lebedev, Oleg; Nilles, Hans-Peter; Raby, Stuart; Ramos-Sanchez, Saul; Ratz, Michael; Vaudrevange, Patrick K. S.; Wingerter, Akin

    2007-01-01

    We study possible correlations between properties of the observable and hidden sectors in heterotic string theory. Specifically, we analyze the case of the Z6-II orbifold compactification which produces a significant number of models with the spectrum of the supersymmetric standard model. We find that requiring realistic features does affect the hidden sector such that hidden sector gauge group factors SU(4) and SO(8) are favoured. In the context of gaugino condensation, this implies low energy supersymmetry breaking.

  7. Landscape management for sustainable supplies of bio energy feedstock and enhanced soil quality

    International Nuclear Information System (INIS)

    Douglas, K.; Muth, D.

    2013-01-01

    Agriculture can simultaneously address global food, feed, fiber, and energy challenges provided our soil, water, and air resources are not compromised in doing so. Our objective is to present a landscape management concept as an approach for integrating multiple bio energy feedstock sources into current crop production systems. This is done to show how multiple, increasing global challenges can be met in a sustainable manner. We discuss how collaborative research among Usda-Agricultural Research Service (ARS), US Department of Energy (DOE) Idaho National Laboratory (INL), several university extension and research partners, and industry representatives [known as the Renewable Energy Assessment Project (Reap) team] has led to the development of computer-based decision aids for guiding sustainable bio energy feedstock production. The decision aids, known initially as the Corn Stover Tool and more recently as the Landscape Environmental Assessment Framework (Leaf) are tools designed to recognize the importance of nature s diversity and can therefore be used to guide sustainable feedstock production without having negative impacts on critical ecosystem services. Using a 57 ha farm site in central Iowa, USA, we show how producer decisions regarding corn (Zea mays L.) stover harvest within the US Corn Belt can be made in a more sustainable manner. This example also supports Reap team conclusions that stover should not be harvested if average grain yields are less than 11 Mg ha-1 unless more balanced landscape management practices are implemented. The tools also illustrate the importance of sub-field management and site-specific stover harvest strategies

  8. Energy landscape reveals that the budding yeast cell cycle is a robust and adaptive multi-stage process.

    Directory of Open Access Journals (Sweden)

    Cheng Lv

    2015-03-01

    Full Text Available Quantitatively understanding the robustness, adaptivity and efficiency of cell cycle dynamics under the influence of noise is a fundamental but difficult question to answer for most eukaryotic organisms. Using a simplified budding yeast cell cycle model perturbed by intrinsic noise, we systematically explore these issues from an energy landscape point of view by constructing an energy landscape for the considered system based on large deviation theory. Analysis shows that the cell cycle trajectory is sharply confined by the ambient energy barrier, and the landscape along this trajectory exhibits a generally flat shape. We explain the evolution of the system on this flat path by incorporating its non-gradient nature. Furthermore, we illustrate how this global landscape changes in response to external signals, observing a nice transformation of the landscapes as the excitable system approaches a limit cycle system when nutrients are sufficient, as well as the formation of additional energy wells when the DNA replication checkpoint is activated. By taking into account the finite volume effect, we find additional pits along the flat cycle path in the landscape associated with the checkpoint mechanism of the cell cycle. The difference between the landscapes induced by intrinsic and extrinsic noise is also discussed. In our opinion, this meticulous structure of the energy landscape for our simplified model is of general interest to other cell cycle dynamics, and the proposed methods can be applied to study similar biological systems.

  9. Modeling energy fluxes in heterogeneous landscapes employing a mosaic approach

    Science.gov (United States)

    Klein, Christian; Thieme, Christoph; Priesack, Eckart

    2015-04-01

    Recent studies show that uncertainties in regional and global climate and weather simulations are partly due to inadequate descriptions of the energy flux exchanges between the land surface and the atmosphere. One major shortcoming is the limitation of the grid-cell resolution, which is recommended to be about at least 3x3 km² in most models due to limitations in the model physics. To represent each individual grid cell most models select one dominant soil type and one dominant land use type. This resolution, however, is often too coarse in regions where the spatial diversity of soil and land use types are high, e.g. in Central Europe. An elegant method to avoid the shortcoming of grid cell resolution is the so called mosaic approach. This approach is part of the recently developed ecosystem model framework Expert-N 5.0. The aim of this study was to analyze the impact of the characteristics of two managed fields, planted with winter wheat and potato, on the near surface soil moistures and on the near surface energy flux exchanges of the soil-plant-atmosphere interface. The simulated energy fluxes were compared with eddy flux tower measurements between the respective fields at the research farm Scheyern, North-West of Munich, Germany. To perform these simulations, we coupled the ecosystem model Expert-N 5.0 to an analytical footprint model. The coupled model system has the ability to calculate the mixing ratio of the surface energy fluxes at a given point within one grid cell (in this case at the flux tower between the two fields). This approach accounts for the differences of the two soil types, of land use managements, and of canopy properties due to footprint size dynamics. Our preliminary simulation results show that a mosaic approach can improve modeling and analyzing energy fluxes when the land surface is heterogeneous. In this case our applied method is a promising approach to extend weather and climate models on the regional and on the global scale.

  10. Energy landscape of defects in body-centered cubic metals

    International Nuclear Information System (INIS)

    Alexander, Rebecca

    2016-01-01

    The structural materials in nuclear reactors are subjected to severe irradiation conditions, leading to changes in their mechanical properties. The aging of these materials raises important issues such as those related to the safety of existing plants and future reactors. In many cases, materials with body-centered cubic bcc crystal structure are used with iron, tungsten, vanadium and tantalum as base metal. Collisions between irradiating particles and atoms constituting materials generate point defects whose migration leads to the formation of clusters responsible for aging. In this thesis, we studied the energetic properties of point defects in the bcc metals mentioned above at the atomic scale. Modeling point defects at the atomic scale can be achieved with different methods that differ only in the quality of the description of the interaction between atoms. Studies using accurate atomic interactions such ab initio calculations are computationally costly making it impossible to directly study clusters of large sizes. The modeling of atomic interactions using semi-empirical potentials reduces the reliability of predictive calculations but allow calculations for large-sized clusters. In this thesis we have developed a unique energy model for dislocation loops as well as for three-dimensional interstitial cluster of type C15. The resulting model has no size limit and can be set entirely by ab initio calculations. To test its robustness for large sizes of clusters we also set this model with semi-empirical potentials calculations and compared the predictions of the model to atomic simulations. With our development we have determined: (i) The relative stability of interstitial dislocation loops according to their Burgers vectors. (ii) The stability of the clusters C15 compared to the type of cluster loop. We showed that the C15 type clusters are more stable when they involve less than 41 interstitials in iron. (iii) In Ta we were able to show the same stability till

  11. Renewable energy policy and landscape management in Andalusia, Spain: The facts

    International Nuclear Information System (INIS)

    Prados, Maria-Jose

    2010-01-01

    Renewable energy has developed spectacularly in Spain since the European Union started a process of energy policy reform. A review of Spanish State legislation on renewable energies confirms that the success in installing renewable energy is attributable to public aid. Andalusia is one of the autonomous communities, which has simultaneously developed the legal framework and very successfully implemented the introduction of renewable power. When implementing the central government's policy, the Andalusian regional government prioritised increases in both surface cover by wind and solar plants (thermal and photovoltaic energy) and in the number of companies involved. However, this development of renewable energies took place without any proper integration into regional spatial and landscape planning. This paper explores renewable power implementation in Andalusia through regulatory measures put in place over the last decade to develop renewable energy systems and the way they can be managed alongside planning issues. The location of large-scale renewable plants has had consequences for territory in the socio-political context of renewable energy promotion. The main findings focus on renewable energy plant sprawl throughout rural areas in Andalusia with no clear effect on landscape management and no firm backing from the local population.

  12. Industrial Energy Mapping: THERMCYC WP6

    DEFF Research Database (Denmark)

    Huang, Baijia; Bühler, Fabian; Holm, Fridolin Müller

    these natural resources. Solar can supply heat at temperatures up to 100°C, geothermal energy can supply heat at temperatures up to 90 °C and air/water average around 2°C during colder seasons and 17 °C in warmer seasons. When looking across all the sectors there are two major energy sources. One of them origi......, the accessible heat from three natural energy sources is also included in the evaluation. The quantification of the potential waste heat is based on a number of approaches such as, professional experience within Viegand Maagøe, input from project partners, theoretical calculations, case studies, input from...... suppliers, input from end-users etc. It must be emphasized that the total energy consumption used in this study covers all end-users and utility companies and therefore the total energy consumption can be higher than what can be found in other statistic. By including both utility companies and end...

  13. Landscape Mapping and Tree Diversity Assessment of Pangi Valley: A Remote Tribal Area of Himachal Pradesh in Western Himalaya, India

    Directory of Open Access Journals (Sweden)

    Amit KUMAR

    2013-12-01

    Full Text Available Pangi valley in Chamba district of Himachal Pradesh is one of the remote tribal areas in Indian western Himalaya. The plant resources in its landscapes are flourishing under least anthropogenic conditions. For social upliftment of the tribals in this area, a number of developmental activities are being implemented by the government. A study was conducted for mapping of its landuse/landcover using satellite remote sensing to identify major forested landscapes in the region. It was followed by a detailed random stratified sampling of the forested landscapes for phytosociological estimation of its tree species. The 21.97 % of study area was estimated under forests followed by Scrublands and Grassy meadows (18.24 %. Majority of area (54.05 % was Snow and Scree slopes. Among the forests, maximum area was occupied by Mixed Broad Leaved Forest LSE type (36.08% followed by Cedrus deodara (26.94% and Betula utilis (18.07% forest LSE types. These species, owing to immense medicinal properties and value for their economic utilization, feature in threatened and endangered category list of plants. It is, therefore, recommended that the developmental activities may be implemented in scientific way, which may not pose threat to bioresources in this region.

  14. Mapping human environment connections on the Olympic Peninsula: an atlas of landscape values

    Science.gov (United States)

    R. McLain; L. Cerveny; Paul M. Montesano; André Beaudoin; Guoqing Sun; Hans-Erik Andersen; Michael A. Wulder; S. Rohdy

    2015-01-01

    The advent of computerized mapping has greatly expanded the ability of land managers to map many aspects of ecological systems, such as tree species, soil types, wildlife habitat, air quality, and water conditions. Mapping the social and cultural aspects of ecological systems, however, has proved much more challenging. This atlas uses the Olympic Peninsula in western...

  15. Mapping the Landscape of Domain-Wall Pinning in Ferromagnetic Films Using Differential Magneto-Optical Microscopy

    Science.gov (United States)

    Badea, Robert; Berezovsky, Jesse

    2016-06-01

    The propagation of domain walls in a ferromagnetic film is largely determined by domain-wall pinning at defects in the material. In this article, we map the effective potential landscape for domain-wall pinning in permalloy films by raster scanning a single ferromagnetic vortex and monitoring the hysteretic vortex displacement vs applied magnetic field. The measurement is carried out using a differential magneto-optical microscopy technique which yields spatial sensitivity of approximately 10 nm. We present a simple algorithm for extracting an effective pinning potential from the measurement of vortex displacement vs applied field. The resulting maps of the pinning potential reveal distinct types of pinning sites, which we attribute to quasi-zero-, one-, and two-dimensional defects in the permalloy film.

  16. A Fire Severity Mapping System (FSMS) for real-time management applications and long term planning: Developing a map of the landscape potential for severe fire in the western United States

    Science.gov (United States)

    Gregory K. Dillon; Zachary A. Holden; Penny Morgan; Bob Keane

    2009-01-01

    The Fire Severity Mapping System project is geared toward providing fire managers across the western United States with critical information for dealing with and planning for the ecological effects of wildfire at multiple levels of thematic, spatial, and temporal detail. For this project, we are developing a comprehensive, west-wide map of the landscape potential for...

  17. Machine learning-based dual-energy CT parametric mapping.

    Science.gov (United States)

    Su, Kuan-Hao; Kuo, Jung-Wen; Jordan, David W; Van Hedent, Steven; Klahr, Paul; Wei, Zhouping; Al Helo, Rose; Liang, Fan; Qian, Pengjiang; Pereira, Gisele C; Rassouli, Negin; Gilkeson, Robert C; Traughber, Bryan J; Cheng, Chee-Wai; Muzic, Raymond F

    2018-05-22

    The aim is to develop and evaluate machine learning methods for generating quantitative parametric maps of effective atomic number (Zeff), relative electron density (ρe), mean excitation energy (Ix), and relative stopping power (RSP) from clinical dual-energy CT data. The maps could be used for material identification and radiation dose calculation. Machine learning methods of historical centroid (HC), random forest (RF), and artificial neural networks (ANN) were used to learn the relationship between dual-energy CT input data and ideal output parametric maps calculated for phantoms from the known compositions of 13 tissue substitutes. After training and model selection steps, the machine learning predictors were used to generate parametric maps from independent phantom and patient input data. Precision and accuracy were evaluated using the ideal maps. This process was repeated for a range of exposure doses, and performance was compared to that of the clinically-used dual-energy, physics-based method which served as the reference. The machine learning methods generated more accurate and precise parametric maps than those obtained using the reference method. Their performance advantage was particularly evident when using data from the lowest exposure, one-fifth of a typical clinical abdomen CT acquisition. The RF method achieved the greatest accuracy. In comparison, the ANN method was only 1% less accurate but had much better computational efficiency than RF, being able to produce parametric maps in 15 seconds. Machine learning methods outperformed the reference method in terms of accuracy and noise tolerance when generating parametric maps, encouraging further exploration of the techniques. Among the methods we evaluated, ANN is the most suitable for clinical use due to its combination of accuracy, excellent low-noise performance, and computational efficiency. . © 2018 Institute of Physics and Engineering in

  18. Relationship between energy systems and landscapes. Guidelines and tools for design and management

    Directory of Open Access Journals (Sweden)

    Elisabetta Ginelli

    2014-10-01

    Full Text Available Landscapes undergoing conservation, valorisation, management and reconstruction policies, become a fundamental factor for the local/global development of natural, cultural, human and social potentials of territories. With the contribution of technological design culture, the research, having a strong multidisciplinary character, focuses on managing the relationship between energy systems and landscapes with the general aim of subverting and transforming apparent conflicts in synergies, in order to overcome a sectorial and segmented approach barely based on energy performances. Through the introduction of a complex multidimensional methodology of analysis and evaluation the goal of this work, is to develop standards of acceptability, meta-design criteria and guidelines for design, intro- ducing a methodology for multidimen- sional complex analysis and evaluation, to support Public Authorities.

  19. The mechanisms for filling carbon nanotubes with molten salts: carbon nanotubes as energy landscape filters

    International Nuclear Information System (INIS)

    Bishop, Clare L; Wilson, Mark

    2009-01-01

    The mechanisms for filling carbon nanotubes with molten salts are investigated using molecular dynamics computer simulation. Inorganic nanotubular structures, whose morphologies can be rationalized in terms of the folding, or the removal of sections from, planes of square nets are found to form. The formation mechanisms are found to follow a 'chain-by-chain' motif in which the structures build systematically from charge neutral M-X-M-Xc chains. The formation mechanisms are rationalized in terms of the ion-ion interactions (intra-chain and inter-chain terms). In addition, the mechanisms of filling are discussed in terms of a 'hopping' between basins on the underlying energy landscape. The role of the carbon nanotube as an energy landscape filter is discussed.

  20. Frustration in the energy landscapes of multidomain protein misfolding.

    Science.gov (United States)

    Zheng, Weihua; Schafer, Nicholas P; Wolynes, Peter G

    2013-01-29

    Frustration from strong interdomain interactions can make misfolding a more severe problem in multidomain proteins than in single-domain proteins. On the basis of bioinformatic surveys, it has been suggested that lowering the sequence identity between neighboring domains is one of nature's solutions to the multidomain misfolding problem. We investigate folding of multidomain proteins using the associative-memory, water-mediated, structure and energy model (AWSEM), a predictive coarse-grained protein force field. We find that reducing sequence identity not only decreases the formation of domain-swapped contacts but also decreases the formation of strong self-recognition contacts between β-strands with high hydrophobic content. The ensembles of misfolded structures that result from forming these amyloid-like interactions are energetically disfavored compared with the native state, but entropically favored. Therefore, these ensembles are more stable than the native ensemble under denaturing conditions, such as high temperature. Domain-swapped contacts compete with self-recognition contacts in forming various trapped states, and point mutations can shift the balance between the two types of interaction. We predict that multidomain proteins that lack these specific strong interdomain interactions should fold reliably.

  1. Mapping landscape service provision of cropland in the urban fringe : the case of Wuhan, China

    NARCIS (Netherlands)

    Zhou, T.; Koomen, E.; Ke, X.

    2016-01-01

    People benefit from cropland through food production and a variety of environmental and recreational benefits. However, the provision of the different functions offered by agricultural landscape deteriorates as a consequence of ongoing urban development, especially in urban fringe. To help define

  2. Politics, Economics and Identity: Mapping the Linguistic Landscape of Kuala Lumpur, Malaysia

    Science.gov (United States)

    Manan, Syed Abdul; David, Maya Khemlani; Dumanig, Francisco Perlas; Naqeebullah, Khan

    2015-01-01

    This study explores the linguistic landscape of Kuala Lumpur, Malaysia. Using photographs as a source of data, the study collects samples from both government and private signage from five selected neighbourhoods of the city. In addition to photographs, interviews with business owners have been conducted and used for triangulation purposes. The…

  3. Mapping the ecosystem service delivery chain: Capacity, flow, and demand pertaining to aesthetic experiences in mountain landscapes.

    Science.gov (United States)

    Egarter Vigl, Lukas; Depellegrin, Daniel; Pereira, Paulo; de Groot, Rudolf; Tappeiner, Ulrike

    2017-01-01

    Accounting for the spatial connectivity between the provision of ecosystem services (ES) and their beneficiaries (supply-benefit chain) is fundamental to understanding ecosystem functioning and its management. However, the interrelationships of the specific chain links within ecosystems and the actual benefits that flow from natural landscapes to surrounding land have rarely been analyzed. We present a spatially explicit model for the analysis of one cultural ecosystem service (aesthetic experience), which integrates the complete ecosystem service delivery chain for Puez-Geisler Nature Park (Italy): (1) The potential service stock (ES capacity) relies on an expert-based land use ranking matrix, (2) the actual supply (ES flow) is based on visibility properties of observation points along recreational routes, (3) the beneficiaries of the service (ES demand) are derived from socioeconomic data as a measure of the visitation rate to the recreation location, and (4) the supply-demand relationship (ES budget) addresses the spatially explicit oversupply and undersupply of ES. The results indicate that potential ES stocks are substantially higher in core and buffer zones of protected areas than in surrounding land owing to the specific landscape composition. ES flow maps reveal service delivery to 80% of the total area studied, with the highest actual service supply to locations with long and open vistas. ES beneficiary analyses show the highest demand for aesthetic experiences in all-season tourist destinations like Val Badia and Val Gardena, where both recreational amenity and overnight stays are equally high. ES budget maps identify ES hot and cold spots in terms of ES delivery, and they highlight ES undersupply in nature protection buffer zones although they are characterized by highest ES capacity. We show how decision/policy makers can use the presented methodology to plan landscape protection measures and develop specific regulation strategies for visitors based on

  4. Cowichan Valley energy mapping and modelling. Report 2 - Energy consumption and density mapping. Final report. [Vancouver Island, Canada

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2012-06-15

    The driving force behind the Integrated Energy Mapping and Analysis project was the identification and analysis of a suite of pathways that the Cowichan Valley Regional District (CVRD) can utilise to increase its energy resilience, as well as reduce energy consumption and GHG emissions, with a primary focus on the residential sector. Mapping and analysis undertaken will support provincial energy and GHG reduction targets, and the suite of pathways outlined will address a CVRD internal target that calls for 75% of the region's energy within the residential sector to come from locally sourced renewables by 2050. The target has been developed as a mechanism to meet resilience and climate action target. The maps and findings produced are to be integrated as part of a regional policy framework currently under development. The second task in the overall project was the mapping of regional energy consumption density. Combined with the findings from task one, this enables comparison of energy consumption density per area unit with the renewable energy resource availability. In addition, it provides an energy baseline against which future energy planning activities can be evaluated. The mapping of the energy consumption density was divided into categories to correspond with local British Columbia Assessment Authority (BCAA) reporting. The residential sub-categories were comprised of single family detached dwellings, single family attached dwellings, apartments, and moveable dwellings. For commercial and industrial end-users the 14 sub-categories are also in line with BCAA as well as the on-going provincial TaNDM project of which the CVRD is a partner. The results of task two are documented in this report. (LN)

  5. The Renewable Energy Data Explorer: Mapping Our Renewable Energy Future

    Energy Technology Data Exchange (ETDEWEB)

    2017-04-13

    The Renewable Energy (RE) Data Explorer, developed by the National Renewable Energy Laboratory, is an innovative web-based platform that allows users to visualize and analyze renewable energy potential. The RE Data Explorer informs prospecting, integrated planning, and policymaking to enable low emission development.

  6. Autonomously folding protein fragments reveal differences in the energy landscapes of homologous RNases H.

    Directory of Open Access Journals (Sweden)

    Laura E Rosen

    Full Text Available An important approach to understanding how a protein sequence encodes its energy landscape is to compare proteins with different sequences that fold to the same general native structure. In this work, we compare E. coli and T. thermophilus homologs of the protein RNase H. Using protein fragments, we create equilibrium mimics of two different potential partially-folded intermediates (I(core and I(core+1 hypothesized to be present on the energy landscapes of these two proteins. We observe that both T. thermophilus RNase H (ttRNH fragments are folded and have distinct stabilities, indicating that both regions are capable of autonomous folding and that both intermediates are present as local minima on the ttRNH energy landscape. In contrast, the two E. coli RNase H (ecRNH fragments have very similar stabilities, suggesting that the presence of additional residues in the I(core+1 fragment does not affect the folding or structure as compared to I(core. NMR experiments provide additional evidence that only the I(core intermediate is populated by ecRNH. This is one of the biggest differences that has been observed between the energy landscapes of these two proteins. Additionally, we used a FRET experiment in the background of full-length ttRNH to specifically monitor the formation of the I(core+1 intermediate. We determine that the ttRNH I(core+1 intermediate is likely the intermediate populated prior to the rate-limiting barrier to global folding, in contrast to E. coli RNase H for which I(core is the folding intermediate. This result provides new insight into the nature of the rate-limiting barrier for the folding of RNase H.

  7. Multifunctional energy landscape for a DNA G-quadruplex: An evolved molecular switch

    Science.gov (United States)

    Cragnolini, Tristan; Chakraborty, Debayan; Šponer, Jiří; Derreumaux, Philippe; Pasquali, Samuela; Wales, David J.

    2017-10-01

    We explore the energy landscape for a four-fold telomere repeat, obtaining interconversion pathways between six experimentally characterised G-quadruplex topologies. The results reveal a multi-funnel system, with a variety of intermediate configurations and misfolded states. This organisation is identified with the intrinsically multi-functional nature of the system, suggesting a new paradigm for the classification of such biomolecules and clarifying issues regarding apparently conflicting experimental results.

  8. A new approach to quantify semiochemical effects on insects based on energy landscapes.

    Directory of Open Access Journals (Sweden)

    Rory P Wilson

    Full Text Available Our ability to document insect preference for semiochemicals is pivotal in pest control as these agents can improve monitoring and be deployed within integrated pest management programmes for more efficacious control of pest species. However, methods used to date have drawbacks that limit their utility. We present and test a new concept for determining insect motivation to move towards, or away from, semiochemicals by noting direction and speed of movement as animals work against a defined energy landscape (environmentally dependent variation in the cost of transport requiring different powers to negotiate. We conducted trials with the pine weevils Hylobius abietis and peach-potato aphids Myzus persicae exposed to various attractants and repellents and placed so that they either moved up defined slopes against gravity or had to travel over variously rough surfaces.Linear Mixed Models demonstrated clear reductions in travel speed by insects moving along increasingly energetically taxing energy landscapes but also that responses varied according to different semiochemicals, thus highlighting the value of energy landscapes as a new concept to help measure insect motivation to access or avoid different attractants or repellents across individuals.New sensitive, detailed indicators of insect motivation derived from this approach should prove important in pest control across the world.

  9. Energy consumption maps for quaternary distillation sequences

    DEFF Research Database (Denmark)

    Gomez-Castro, F.I.; Ramírez-Vallejo, N.E.; Segovia-Hernandez, J.G.

    2016-01-01

    Thermally coupled distillation columns represent a very interesting option for the intensification of distillation systems in order to reduce the energy consumption, and, as a consequence, the environmental impact of the separation process. Several thermally coupled distillation schemes can......, for a given mixture, depends on the nature of the mixture, usually quantified for ternary mixtures through the ease of separation index (ESI), and also on the feed composition. As can be noticed, the size of the design and optimization problem increases when these variables are considered in the generation...

  10. Baryon acoustic oscillation intensity mapping of dark energy.

    Science.gov (United States)

    Chang, Tzu-Ching; Pen, Ue-Li; Peterson, Jeffrey B; McDonald, Patrick

    2008-03-07

    The expansion of the Universe appears to be accelerating, and the mysterious antigravity agent of this acceleration has been called "dark energy." To measure the dynamics of dark energy, baryon acoustic oscillations (BAO) can be used. Previous discussions of the BAO dark energy test have focused on direct measurements of redshifts of as many as 10(9) individual galaxies, by observing the 21 cm line or by detecting optical emission. Here we show how the study of acoustic oscillation in the 21 cm brightness can be accomplished by economical three-dimensional intensity mapping. If our estimates gain acceptance they may be the starting point for a new class of dark energy experiments dedicated to large angular scale mapping of the radio sky, shedding light on dark energy.

  11. The map of energy flow in HVAC systems

    International Nuclear Information System (INIS)

    Perez-Lombard, Luis; Ortiz, Jose; Maestre, Ismael R.

    2011-01-01

    Highlights: → Discussion of the four stages in the 'HVAC systems energy chain'. → Examination of HVAC systems as energy conversion devices. → Analysis of HVAC Sankey diagrams. → Discussion of HVAC loads and HVAC energy losses. -- Abstract: Heating, ventilation and air conditioning (HVAC) systems are the most energy consuming building services representing approximately half of the final energy use in the building sector and between one tenth and one fifth of the energy consumption in developed countries. Despite their significant energy use, there is a lack of a consistent and homogeneous framework to efficiently guide research and energy policies, mainly due to the complexity and variety of HVAC systems but also to insufficient rigour in their energy analysis. This paper reviews energy related aspects of HVAC systems with the aim of establishing a common ground for the analysis of their energy efficiency. The paper focuses on the map of energy flow to deliver thermal comfort: the HVAC energy chain. Our approach deals first with thermal comfort as the final service delivered to building occupants. Secondly, conditioned spaces are examined as the systems where useful heat (or coolth) is degraded to provide comfort. This is followed by the analysis of HVAC systems as complex energy conversion devices where energy carriers are transformed into useful heat and coolth, and finally, the impact of HVAC energy consumption on energy resources is discussed.

  12. Energy landscape of all-atom protein-protein interactions revealed by multiscale enhanced sampling.

    Directory of Open Access Journals (Sweden)

    Kei Moritsugu

    2014-10-01

    Full Text Available Protein-protein interactions are regulated by a subtle balance of complicated atomic interactions and solvation at the interface. To understand such an elusive phenomenon, it is necessary to thoroughly survey the large configurational space from the stable complex structure to the dissociated states using the all-atom model in explicit solvent and to delineate the energy landscape of protein-protein interactions. In this study, we carried out a multiscale enhanced sampling (MSES simulation of the formation of a barnase-barstar complex, which is a protein complex characterized by an extraordinary tight and fast binding, to determine the energy landscape of atomistic protein-protein interactions. The MSES adopts a multicopy and multiscale scheme to enable for the enhanced sampling of the all-atom model of large proteins including explicit solvent. During the 100-ns MSES simulation of the barnase-barstar system, we observed the association-dissociation processes of the atomistic protein complex in solution several times, which contained not only the native complex structure but also fully non-native configurations. The sampled distributions suggest that a large variety of non-native states went downhill to the stable complex structure, like a fast folding on a funnel-like potential. This funnel landscape is attributed to dominant configurations in the early stage of the association process characterized by near-native orientations, which will accelerate the native inter-molecular interactions. These configurations are guided mostly by the shape complementarity between barnase and barstar, and lead to the fast formation of the final complex structure along the downhill energy landscape.

  13. Monitoring Forest Change in Landscapes Under-Going Rapid Energy Development: Challenges and New Perspectives

    Directory of Open Access Journals (Sweden)

    Paul D. Pickell

    2014-07-01

    Full Text Available The accelerated development of energy resources around the world has substantially increased forest change related to oil and gas activities. In some cases, oil and gas activities are the primary catalyst of land-use change in forested landscapes. We discuss the challenges associated with characterizing ecological change related to energy resource development using North America as an exemplar. We synthesize the major impacts of energy development to forested ecosystems and offer new perspectives on how to detect and monitor anthropogenic disturbance during the Anthropocene. The disturbance of North American forests for energy development has resulted in persistent linear corridors, suppression of historical disturbance regimes, novel ecosystems, and the eradication of ecological memory. Characterizing anthropogenic disturbances using conventional patch-based disturbance measures will tend to underestimate the ecological impacts of energy development. Suitable indicators of anthropogenic impacts in forests should be derived from the integration of multi-scalar Earth observations. Relating these indicators to ecosystem condition will be a capstone in the progress toward monitoring forest change in landscapes undergoing rapid energy development.

  14. Identification of fine scale and landscape scale drivers of urban aboveground carbon stocks using high-resolution modeling and mapping.

    Science.gov (United States)

    Mitchell, Matthew G E; Johansen, Kasper; Maron, Martine; McAlpine, Clive A; Wu, Dan; Rhodes, Jonathan R

    2018-05-01

    Urban areas are sources of land use change and CO 2 emissions that contribute to global climate change. Despite this, assessments of urban vegetation carbon stocks often fail to identify important landscape-scale drivers of variation in urban carbon, especially the potential effects of landscape structure variables at different spatial scales. We combined field measurements with Light Detection And Ranging (LiDAR) data to build high-resolution models of woody plant aboveground carbon across the urban portion of Brisbane, Australia, and then identified landscape scale drivers of these carbon stocks. First, we used LiDAR data to quantify the extent and vertical structure of vegetation across the city at high resolution (5×5m). Next, we paired this data with aboveground carbon measurements at 219 sites to create boosted regression tree models and map aboveground carbon across the city. We then used these maps to determine how spatial variation in land cover/land use and landscape structure affects these carbon stocks. Foliage densities above 5m height, tree canopy height, and the presence of ground openings had the strongest relationships with aboveground carbon. Using these fine-scale relationships, we estimate that 2.2±0.4 TgC are stored aboveground in the urban portion of Brisbane, with mean densities of 32.6±5.8MgCha -1 calculated across the entire urban land area, and 110.9±19.7MgCha -1 calculated within treed areas. Predicted carbon densities within treed areas showed strong positive relationships with the proportion of surrounding tree cover and how clumped that tree cover was at both 1km 2 and 1ha resolutions. Our models predict that even dense urban areas with low tree cover can have high carbon densities at fine scales. We conclude that actions and policies aimed at increasing urban carbon should focus on those areas where urban tree cover is most fragmented. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. Mapping the environmental risk potential on surface water of pesticide contamination in the Prosecco's vineyard terraced landscape

    Science.gov (United States)

    Pizarro, Patricia; Ferrarese, Francesco; Loddo, Donato; Eugenio Pappalardo, Salvatore; Varotto, Mauro

    2016-04-01

    Intensive cropping systems today represent a paramount issue in terms of environmental impacts, since agricultural pollutants can constitute a potential threat to surface water, non-target organisms and aquatic ecosystems. Levels of pesticide concentrations in surface waters are indeed unquestionably correlated to crop and soil management practices at field-scale. Due to the numerous applications of pesticides required, orchards and vineyards can represent relevant non-point sources for pesticide contamination of water bodies, mainly prompted by soil erosion, surface runoff and spray drift. To reduce risks of pesticide contamination of surface water, the Directive 2009/128/CET imposed the local implementation of agricultural good practices and mitigation actions such as the use of vegetative buffer filter strips and hedgerows along river and pond banks. However, implementation of mitigation actions is often difficult, especially in extremely fragmented agricultural landscapes characterized by a complex territorial matrix set up on urban sprawling, frequent surface water bodies, important geomorphological processes and protected natural areas. Typically, such landscape matrix is well represented by the, Prosecco-DOCG vineyards area (NE of Italy, Province of Treviso) which lays on hogback hills of conglomerate, marls and sandstone that ranges between 50 and 500 m asl. Moreover such vineyards landscape is characterized by traditional and non-traditional agricultural terraces The general aim of this paper is to identify areas of surface water bodies with high potential risk of pesticide contamination from surrounding vineyards in the 735 ha of Lierza river basin (Refrontolo, TV), one of the most representative terraced landscape of the Prosecco-DOCG area. Specific aims are i) mapping terraced Prosecco-DOCG vineyards, ii) classifying potential risk from pesticide of the different areas. Remote sensing technologies such as four bands aerial photos (RGB+NIR) and Light

  16. The potential energy landscape in the Lennard-Jones binary mixture model

    International Nuclear Information System (INIS)

    Sampoli, M; Benassi, P; Eramo, R; Angelani, L; Ruocco, G

    2003-01-01

    The potential energy landscape in the Kob-Andersen Lennard-Jones binary mixture model has been studied carefully from the liquid down to the supercooled regime, from T = 2 down to 0.46. One thousand independent configurations along the time evolution locus have been examined at each temperature investigated. From the starting configuration, we searched for the nearest saddle (or quasi-saddle) and minimum of the potential energy. The vibrational densities of states for the starting and the two derived configurations have been evaluated. Besides the number of negative eigenvalues of the saddles other quantities show some signature of the approach of the dynamical arrest temperature

  17. Energy Landscape and Pathways for Transitions between Watson-Crick and Hoogsteen Base Pairing in DNA.

    Science.gov (United States)

    Chakraborty, Debayan; Wales, David J

    2018-01-04

    The recent discovery that Hoogsteen (HG) base pairs are widespread in DNA across diverse sequences and positional contexts could have important implications for understanding DNA replication and DNA-protein recognition. While evidence is emerging that the Hoogsteen conformation could be a thermodynamically accessible conformation of the DNA duplex and provide a means to expand its functionality, relatively little is known about the molecular mechanism underlying the Watson-Crick (WC) to HG transition. In this Perspective, we describe pathways and kinetics for this transition at an atomic level of detail, using the energy landscape perspective. We show that competition between the duplex conformations results in a double funnel landscape, which explains some recent experimental observations. The interconversion pathways feature a number of intermediates, with a variable number of WC and HG base pairs. The relatively slow kinetics, with possible deviations from two-state behavior, suggest that this conformational switch is likely to be a challenging target for both simulation and experiment.

  18. Simple solvable energy-landscape model that shows a thermodynamic phase transition and a glass transition.

    Science.gov (United States)

    Naumis, Gerardo G

    2012-06-01

    When a liquid melt is cooled, a glass or phase transition can be obtained depending on the cooling rate. Yet, this behavior has not been clearly captured in energy-landscape models. Here, a model is provided in which two key ingredients are considered in the landscape, metastable states and their multiplicity. Metastable states are considered as in two level system models. However, their multiplicity and topology allows a phase transition in the thermodynamic limit for slow cooling, while a transition to the glass is obtained for fast cooling. By solving the corresponding master equation, the minimal speed of cooling required to produce the glass is obtained as a function of the distribution of metastable states.

  19. Energy landscapes shape microbial communities in hydrothermal systems on the Arctic Mid-Ocean Ridge.

    Science.gov (United States)

    Dahle, Håkon; Økland, Ingeborg; Thorseth, Ingunn H; Pederesen, Rolf B; Steen, Ida H

    2015-07-01

    Methods developed in geochemical modelling combined with recent advances in molecular microbial ecology provide new opportunities to explore how microbial communities are shaped by their chemical surroundings. Here, we present a framework for analyses of how chemical energy availability shape chemotrophic microbial communities in hydrothermal systems through an investigation of two geochemically different basalt-hosted hydrothermal systems on the Arctic Mid-Ocean Ridge: the Soria Moria Vent field (SMVF) and the Loki's Castle Vent Field (LCVF). Chemical energy landscapes were evaluated through modelling of the Gibbs energy from selected redox reactions under different mixing ratios between seawater and hydrothermal fluids. Our models indicate that the sediment-influenced LCVF has a much higher potential for both anaerobic and aerobic methane oxidation, as well as aerobic ammonium and hydrogen oxidation, than the SMVF. The modelled energy landscapes were used to develop microbial community composition models, which were compared with community compositions in environmental samples inside or on the exterior of hydrothermal chimneys, as assessed by pyrosequencing of partial 16S rRNA genes. We show that modelled microbial communities based solely on thermodynamic considerations can have a high predictive power and provide a framework for analyses of the link between energy availability and microbial community composition.

  20. An energy landscape based approach for studying supercooled liquid and glassy thin films

    Science.gov (United States)

    Shah, Pooja; Mittal, Jeetain; Truskett, Thomas M.

    2004-03-01

    Materials in confined spaces are important in science and technology. Examples include biological fluids in membranes, liquids trapped in porous rocks, and thin-film materials used in high-resolution patterning technologies. However, few reliable rules exist to predict how the properties of materials will be affected by thin-film confinement. We have recently shown that the potential energy landscape formalism can be used to study, by both theory [1] and simulation [2], how the behavior of thin-film materials depends on sample dimensions and film-substrate interactions. Our landscape-based mean-field theory [1] can be used to study both the thermodynamic properties and the ideal glass transition of thin films. It predicts that, in the case of neutral or repulsive walls, the ideal glass transition temperature is lowered by decreasing film thickness. This is in qualitative agreement with experimental trends for the kinetic glass transition in confined fluids. Landscape-based approaches are also valuable for understanding the structural and mechanical properties of thin-film glasses. We demonstrate how the concept of an "equation of state of the energy landscape" [3] can be generalized to thin films [1, 2], where it gives insights into potential molecular mechanisms of tensile strength. [1] T. M. Truskett and V. Ganesan, J. Chem. Phys. 119, 1897-1900(2003); J. Mittal, P. Shah and T. M. Truskett, to be submitted to Langmuir. [2] P. Shah and T. M. Truskett, to be submitted to J. Phys. Chem. B. [3] S. Sastry, P. G. Debenedetti and F. H. Stillinger, Phys. Rev. E 56, 5533 (1997)

  1. An existence result of energy minimizer maps between Riemannian polyhedra

    International Nuclear Information System (INIS)

    Bouziane, T.

    2004-06-01

    In this paper, we prove the existence of energy minimizers in each free homotopy class of maps between polyhedra with target space without focal points. Our proof involves a careful study of some geometric properties of Riemannian polyhedra without focal points. Among other things, we show that on the relevant polyhedra, there exists a convex supporting function. (author)

  2. Generating energy dependent neutron flux maps for effective ...

    African Journals Online (AJOL)

    For activation analysis and irradiation scheme of miniature neutron source reactor, designers or engineers usually require information on thermal neutron flux levels and other energy group flux levels (such as fast, resonance and epithermal). A methodology for readily generating such flux maps and flux profiles for any ...

  3. Free energy landscapes of electron transfer system in dipolar environment below and above the rotational freezing temperature

    International Nuclear Information System (INIS)

    Suzuki, Yohichi; Tanimura, Yoshitaka

    2007-01-01

    Electron transfer reaction in a polar solvent is modeled by a solute dipole surrounded by dipolar molecules with simple rotational dynamics posted on the three-dimensional distorted lattice sites. The interaction energy between the solute and solvent dipoles as a reaction coordinate is adopted and free energy landscapes are calculated by generating all possible states for a 26 dipolar system and by employing Wang-Landau sampling algorithm for a 92 dipolar system. For temperatures higher than the energy scale of dipole-dipole interactions, the free energy landscapes for the small reaction coordinate region have quadratic shape as predicted by Marcus [Rev. Mod. Phys. 65, 599 (1993)] whereas for the large reaction coordinate region, the landscapes exhibit a nonquadratic shape. When the temperature drops, small notched structures appear on the free energy profiles because of the frustrated interactions among dipoles. The formation of notched structure is analyzed with statistical approach and it is shown that the amplitude of notched structure depend upon the segment size of the reaction coordinate and is characterized by the interaction energy among the dipoles. Using simulated free energy landscapes, the authors calculate the reaction rates as a function of the energy gap for various temperatures. At high temperature, the reactions rates follow a bell shaped (inverted parabolic) energy gap law in the small energy gap regions, while it becomes steeper than the parabolic shape in a large energy gap regions due to the nonquadratic shape of the free energy landscape. The peak position of parabola also changes as the function of temperature. At low temperature, the profile of the reaction rates is no longer smooth because of the many local minima of the free energy landscape

  4. Energy Choices. A North European Energy Map; Vaegval Energi. Nordeuropeisk Energikarta

    Energy Technology Data Exchange (ETDEWEB)

    Groenkvist, Stefan; Stenkvist, Maria; Paradis, Hanna

    2008-11-15

    Oil, coal and natural gas dominate the energy consumption in Northern Europe, as well as in the world at large. The energy supply mix varies between the countries of the region. For example, a large proportion of biomass and waste in Finland and Latvia (Norway) and Sweden use a high proportion of hydroelectric power, while Poland has a very high proportion of coal in their energy mix. Energy use per person in Northern Europe is more than twice as high compared with the average global - but lower than the average in the OECD. In Northern Europe, there are three separate networks for energy transfer: natural gas, electricity and heating. The expansion of the natural gas network has been strong since 1970. Gas pipelines today covers large parts of Europe and new pipelines are planned. The electricity grids and their transmission capacity has grown. Electricity began to be transferred between the Nordic countries during the 1960s. Today, the North European countries are linked with a number of high capacity cables. While the networks for district heating has grown, these systems are separate for individual cities. In recent years, the region's net imports of oil rose, as (Norway's oil production has declined since the early 2000s. On the other hand, the North European countries in 2007 became, for the first time, net exporters of natural gas. As the energy systems expand, trade in energy increases - both within the region and with the rest of Europe and the rest of the world. Several new energy projects are planned in Northern Europe for expanded capacity in oil refineries and new pipelines for natural gas and transmission lines for electricity. The energy integration in the region is therefore expected to increase further. In the long term, climate policy will be of greater importance, both for the region's use of primary energy and for the look of the region's future energy map

  5. Fine-Scale Recombination Maps of Fungal Plant Pathogens Reveal Dynamic Recombination Landscapes and Intragenic Hotspots.

    Science.gov (United States)

    Stukenbrock, Eva H; Dutheil, Julien Y

    2018-03-01

    Meiotic recombination is an important driver of evolution. Variability in the intensity of recombination across chromosomes can affect sequence composition, nucleotide variation, and rates of adaptation. In many organisms, recombination events are concentrated within short segments termed recombination hotspots. The variation in recombination rate and positions of recombination hotspot can be studied using population genomics data and statistical methods. In this study, we conducted population genomics analyses to address the evolution of recombination in two closely related fungal plant pathogens: the prominent wheat pathogen Zymoseptoria tritici and a sister species infecting wild grasses Z. ardabiliae We specifically addressed whether recombination landscapes, including hotspot positions, are conserved in the two recently diverged species and if recombination contributes to rapid evolution of pathogenicity traits. We conducted a detailed simulation analysis to assess the performance of methods of recombination rate estimation based on patterns of linkage disequilibrium, in particular in the context of high nucleotide diversity. Our analyses reveal overall high recombination rates, a lack of suppressed recombination in centromeres, and significantly lower recombination rates on chromosomes that are known to be accessory. The comparison of the recombination landscapes of the two species reveals a strong correlation of recombination rate at the megabase scale, but little correlation at smaller scales. The recombination landscapes in both pathogen species are dominated by frequent recombination hotspots across the genome including coding regions, suggesting a strong impact of recombination on gene evolution. A significant but small fraction of these hotspots colocalize between the two species, suggesting that hotspot dynamics contribute to the overall pattern of fast evolving recombination in these species. Copyright © 2018 Stukenbrock and Dutheil.

  6. POINT CLOUD MAPPING METHODS FOR DOCUMENTING CULTURAL LANDSCAPE FEATURES AT THE WORMSLOE STATE HISTORIC SITE, SAVANNAH, GEORGIA, USA

    Directory of Open Access Journals (Sweden)

    T. R. Jordana

    2016-06-01

    Full Text Available Documentation of the three-dimensional (3D cultural landscape has traditionally been conducted during site visits using conventional photographs, standard ground surveys and manual measurements. In recent years, there have been rapid developments in technologies that produce highly accurate 3D point clouds, including aerial LiDAR, terrestrial laser scanning, and photogrammetric data reduction from unmanned aerial systems (UAS images and hand held photographs using Structure from Motion (SfM methods. These 3D point clouds can be precisely scaled and used to conduct measurements of features even after the site visit has ended. As a consequence, it is becoming increasingly possible to collect non-destructive data for a wide variety of cultural site features, including landscapes, buildings, vegetation, artefacts and gardens. As part of a project for the U.S. National Park Service, a variety of data sets have been collected for the Wormsloe State Historic Site, near Savannah, Georgia, USA. In an effort to demonstrate the utility and versatility of these methods at a range of scales, comparisons of the features mapped with different techniques will be discussed with regards to accuracy, data set completeness, cost and ease-of-use.

  7. Mapping the nanoscale energetic landscape in conductive polymer films with spatially super-resolved exciton dynamics

    Science.gov (United States)

    Ginsberg, Naomi

    2015-03-01

    The migration of Frenkel excitons, tightly-bound electron-hole pairs, in polymeric organic semiconducting films is critical to the efficiency of bulk heterojunction solar cells. While these materials exhibit a high degree of structural heterogeneity on the nanoscale, traditional measurements of exciton diffusion lengths are performed on bulk samples. Since both the characteristic length scales of structural heterogeneity and the reported bulk diffusion lengths are smaller than the optical diffraction limit, we adapt far-field super-resolution fluorescence imaging to uncover the correlations between the structural and energetic landscapes that the excitons explore.

  8. The Transect as a Method for Mapping and Narrating Water Landscapes

    DEFF Research Database (Denmark)

    Diedrich, Lisa; Lee, Gini; Braae, Ellen Marie

    2014-01-01

    In current urban design and landscape architecture practice, designers often address sites from static and material perspectives: as empty grounds where new design inventions are played out at the whim of their creators. Despite such design works claiming site specificity as their guide, generic...... outcomes that ignore or overlook local conditions abound, lacking response to ephemeral yet essential site properties such as temporal dynamics and atmospheric encounters. The focus of this NANO note seeks methods for site exploration to inform site transformation through representing the narrative...

  9. Potential energy landscape and robustness of a gene regulatory network: toggle switch.

    Directory of Open Access Journals (Sweden)

    Keun-Young Kim

    2007-03-01

    Full Text Available Finding a multidimensional potential landscape is the key for addressing important global issues, such as the robustness of cellular networks. We have uncovered the underlying potential energy landscape of a simple gene regulatory network: a toggle switch. This was realized by explicitly constructing the steady state probability of the gene switch in the protein concentration space in the presence of the intrinsic statistical fluctuations due to the small number of proteins in the cell. We explored the global phase space for the system. We found that the protein synthesis rate and the unbinding rate of proteins to the gene were small relative to the protein degradation rate; the gene switch is monostable with only one stable basin of attraction. When both the protein synthesis rate and the unbinding rate of proteins to the gene are large compared with the protein degradation rate, two global basins of attraction emerge for a toggle switch. These basins correspond to the biologically stable functional states. The potential energy barrier between the two basins determines the time scale of conversion from one to the other. We found as the protein synthesis rate and protein unbinding rate to the gene relative to the protein degradation rate became larger, the potential energy barrier became larger. This also corresponded to systems with less noise or the fluctuations on the protein numbers. It leads to the robustness of the biological basins of the gene switches. The technique used here is general and can be applied to explore the potential energy landscape of the gene networks.

  10. Interpretation of recent alpine landscape system evolution using geomorphic mapping and L-band InSAR analyses

    Science.gov (United States)

    Imaizumi, Fumitoshi; Nishiguchi, Takaki; Matsuoka, Norikazu; Trappmann, Daniel; Stoffel, Markus

    2018-06-01

    Alpine landscapes are typically characterized by inherited features of past glaciations and, for the more recent past, by the interplay of a multitude of types of geomorphic processes, including permafrost creep, rockfalls, debris flows, and landslides. These different processes usually exhibit large spatial and temporal variations in activity and velocity. The understanding of these processes in a wide alpine area is often hindered by difficulties in their surveying. In this study, we attempt to disentangle recent changes in an alpine landscape system using geomorphic mapping and L-band DInSAR analyses (ALOS-PALSAR) in the Zermatt Valley, Swiss Alps. Geomorphic mapping points to a preferential distribution of rock glaciers on north-facing slopes, whereas talus slopes are concentrated on south-facing slopes. Field-based interpretation of ground deformation in rock glaciers and movements in talus slopes correlates well with the ratio of InSAR images showing potential ground deformation. Moraines formed during the Little Ice Age, rock glaciers, and talus slopes on north-facing slopes are more active than landforms on south-facing slopes, implying that the presence of permafrost facilitates the deformation of these geomorphic units. Such deformations of geomorphic units prevail also at the elevation of glacier termini. For rock cliffs, the ratio of images indicating retreat is affected by slope orientation and elevation. Linkages between sediment supply from rock cliffs and sediment transport in torrents are different among tributaries, affected by relative locations between sediment supply areas and the channel network. We conclude that the combined use of field surveys and L-band DInSAR analyses can substantially improve process understanding in steep, high-mountain terrain.

  11. The environmental benefits of cellulosic energy crops at a landscape scale

    International Nuclear Information System (INIS)

    Graham, R.L.; Liu, W.; English, B.C.

    1995-01-01

    The objective of this paper is to present a broad overview of the potential environmental impacts of biomass energy from energy crops--particularly the cellulosic energy crops current under development. For this discussion, the term energy crop refers to a crop grown primarily to create feedstock for either making biofuels such as ethanol or burning in a heat or electricity generation facility. Cellulosic energy crops are designed to be used in cellulose-based ethanol conversion processes (as opposed to starch or sugar-based ethanol conversion processes). As more cellulose can be produced per hectare of land than can sugar or starch, the cellulose-based ethanol conversion process is a more efficient sue of land for ethanol production. Assessing the environmental impacts of biomass energy from energy crops is complex because the environmental impact of using biomass for energy must be considered in the context of alternative energy options while the environmental impact of producing biomass from energy crops must be considered in the context of alternative land-uses. Using biomass-derived energy can reduce greenhouse gas emissions or increase them; growing biomass energy crops can enhance soil fertility or degrade it. Without knowing the context of the biomass energy, one can say little about its specific environmental impacts. The primary focus of this paper is an evaluation of the environmental impacts of growing cellulosic energy crops especially at the landscape or regional scale. However, to set the stage for this discussion, the authors begin by comparing the environmental advantages and disadvantages of biomass-derived energy relative to other energy alternatives such as coal, hydropower, nuclear power, oil/gasoline, natural gas and photovoltaics

  12. Fugitive methane emissions from natural, urban, agricultural, and energy-production landscapes of eastern Australia

    Science.gov (United States)

    Kelly, Bryce F. J.; Iverach, Charlotte P.; Lowry, Dave; Fisher, Rebecca E.; France, James L.; Nisbet, Euan G.

    2015-04-01

    Modern cavity ringdown spectroscopy systems (CRDS) enable the continuous measurement of methane concentration. This allows for improved quantification of greenhouse gas emissions associated with various natural and human landscapes. We present a subset of over 4000 km of continuous methane surveying along the east coast of Australia, made using a Picarro G2301 CRDS, deployed in a utility vehicle with an air inlet above the roof at 2.2 mAGL. Measurements were made every 5 seconds to a precision of cut coal mines, unconventional gas developments (coal seam gas; CSG), and leaks detected in cities and country towns. In areas of dryland crops the median methane concentration was 1.78 ppm, while in the irrigation districts located on vertisol soils the concentration was as low as 1.76 ppm, which may indicate that these soils are a sink for methane. In the Hunter Valley, New South Wales, open-cut coal mining district we mapped a continuous 50 km interval where the concentration of methane exceeded 1.80 ppm. The median concentration in this interval was 2.02 ppm. Peak readings were beyond the range of the reliable measurement (in excess of 3.00 ppm). This extended plume is an amalgamation of plumes from 17 major pits 1 to 10 km in length. Adjacent to CSG developments in the Surat Basin, southeast Queensland, only small anomalies were detected near the well-heads. Throughout the vast majority of the gas fields the concentration of methane was below 1.80 ppm. The largest source of fugitive methane associated with CSG was off-gassing methane from the co-produced water holding ponds. At one location the down wind plume had a cross section of approximately 1 km where the concentration of methane was above 1.80 ppm. The median concentration within this section was 1.82 ppm, with a peak reading of 2.11 ppm. The ambient air methane concentration was always higher in urban environments compared to the surrounding countryside. Along one major road in Sydney we mapped an interval

  13. Role of Electrostatics in Protein-RNA Binding: The Global vs the Local Energy Landscape.

    Science.gov (United States)

    Ghaemi, Zhaleh; Guzman, Irisbel; Gnutt, David; Luthey-Schulten, Zaida; Gruebele, Martin

    2017-09-14

    U1A protein-stem loop 2 RNA association is a basic step in the assembly of the spliceosomal U1 small nuclear ribonucleoprotein. Long-range electrostatic interactions due to the positive charge of U1A are thought to provide high binding affinity for the negatively charged RNA. Short range interactions, such as hydrogen bonds and contacts between RNA bases and protein side chains, favor a specific binding site. Here, we propose that electrostatic interactions are as important as local contacts in biasing the protein-RNA energy landscape toward a specific binding site. We show by using molecular dynamics simulations that deletion of two long-range electrostatic interactions (K22Q and K50Q) leads to mutant-specific alternative RNA bound states. One of these states preserves short-range interactions with aromatic residues in the original binding site, while the other one does not. We test the computational prediction with experimental temperature-jump kinetics using a tryptophan probe in the U1A-RNA binding site. The two mutants show the distinct predicted kinetic behaviors. Thus, the stem loop 2 RNA has multiple binding sites on a rough RNA-protein binding landscape. We speculate that the rough protein-RNA binding landscape, when biased to different local minima by electrostatics, could be one way that protein-RNA interactions evolve toward new binding sites and novel function.

  14. Contribution to understanding the post-mining landscape - Application of airborn LiDAR and historical maps at the example from Silesian Upland (Poland)

    Science.gov (United States)

    Gawior, D.; Rutkiewicz, P.; Malik, I.; Wistuba, M.

    2017-11-01

    LiDAR data provide new insights into the historical development of mining industry recorded in the topography and landscape. In the study on the lead ore mining in the 13th-17th century we identified remnants of mining activity in relief that are normally obscured by dense vegetation. The industry in Tarnowice Plateau was based on exploitation of galena from the bedrock. New technologies, including DEM from airborne LiDAR provide show that present landscape and relief of post-mining area under study developed during several, subsequent phases of exploitation when different techniques of exploitation were used and probably different types of ores were exploited. Study conducted on the Tarnowice Plateau proved that combining GIS visualization techniques with historical maps, among all geological maps, is a promising approach in reconstructing development of anthropogenic relief and landscape..

  15. Developing strategies to initialize landscape-scale vegetation maps from FIA data to enhance resolution of individual species-size cohort representation in the landscape disturbance model SIMPPLLE

    Science.gov (United States)

    Jacob John Muller

    2014-01-01

    The ability of forest resource managers to understand and anticipate landscape-scale change in composition and structure relies upon an adequate characterization of the current forest composition and structure of various patches (or stands), along with the capacity of forest landscape models (FLMs) to predict patterns of growth, succession, and disturbance at multiple...

  16. Electrostatics, structure prediction, and the energy landscapes for protein folding and binding.

    Science.gov (United States)

    Tsai, Min-Yeh; Zheng, Weihua; Balamurugan, D; Schafer, Nicholas P; Kim, Bobby L; Cheung, Margaret S; Wolynes, Peter G

    2016-01-01

    While being long in range and therefore weakly specific, electrostatic interactions are able to modulate the stability and folding landscapes of some proteins. The relevance of electrostatic forces for steering the docking of proteins to each other is widely acknowledged, however, the role of electrostatics in establishing specifically funneled landscapes and their relevance for protein structure prediction are still not clear. By introducing Debye-Hückel potentials that mimic long-range electrostatic forces into the Associative memory, Water mediated, Structure, and Energy Model (AWSEM), a transferable protein model capable of predicting tertiary structures, we assess the effects of electrostatics on the landscapes of thirteen monomeric proteins and four dimers. For the monomers, we find that adding electrostatic interactions does not improve structure prediction. Simulations of ribosomal protein S6 show, however, that folding stability depends monotonically on electrostatic strength. The trend in predicted melting temperatures of the S6 variants agrees with experimental observations. Electrostatic effects can play a range of roles in binding. The binding of the protein complex KIX-pKID is largely assisted by electrostatic interactions, which provide direct charge-charge stabilization of the native state and contribute to the funneling of the binding landscape. In contrast, for several other proteins, including the DNA-binding protein FIS, electrostatics causes frustration in the DNA-binding region, which favors its binding with DNA but not with its protein partner. This study highlights the importance of long-range electrostatics in functional responses to problems where proteins interact with their charged partners, such as DNA, RNA, as well as membranes. © 2015 The Protein Society.

  17. Geochemical landscapes of the conterminous United States; new map presentations for 22 elements

    Science.gov (United States)

    Gustavsson, N.; Bolviken, B.; Smith, D.B.; Severson, R.C.

    2001-01-01

    Geochemical maps of the conterminous United States have been prepared for seven major elements (Al, Ca, Fe, K, Mg, Na, and Ti) and 15 trace elements (As, Ba, Cr, Cu, Hg, Li, Mn, Ni, Pb, Se, Sr, V, Y, Zn, and Zr). The maps are based on an ultra low-density geochemical survey consisting of 1,323 samples of soils and other surficial materials collected from approximately 1960-1975. The data were published by Boerngen and Shacklette (1981) and black-and-white point-symbol geochemical maps were published by Shacklette and Boerngen (1984). The data have been reprocessed using weighted-median and Bootstrap procedures for interpolation and smoothing.

  18. Free energy landscape and cooperatively rearranging region in a hard sphere glass

    Science.gov (United States)

    Yoshidome, Takashi; Yoshimori, Akira; Odagaki, Takashi

    2007-08-01

    Exploiting the density functional theory, we calculate the free energy landscape (FEL) of the hard sphere glass in three dimensions. From the FEL, we estimate the number of the particles in the cooperatively rearranging region (CRR). We find that the density dependence of the number of the particles in the CRR is expressed as a power law function of the density. Analyzing the relaxation process in the CRR, we also find that the string motion is the elementary process for the structural relaxation, which leads to the natural definition of the simultaneously rearranging region as the particles displaced in the string motion.

  19. Exploring the energy landscape of the charge transport levels in organic semiconductors at the molecular scale.

    Science.gov (United States)

    Cornil, J; Verlaak, S; Martinelli, N; Mityashin, A; Olivier, Y; Van Regemorter, T; D'Avino, G; Muccioli, L; Zannoni, C; Castet, F; Beljonne, D; Heremans, P

    2013-02-19

    strongly interacting electron-hole pairs can potentially escape from their Coulomb well, a process that is at the heart of photoconversion or molecular doping. Yet they do, with near-quantitative yield in some cases. Limited screening by the low dielectric medium in organic materials leads to subtle static and dynamic electronic polarization effects that strongly impact the energy landscape for charges, which offers a rationale for this apparent inconsistency. In this Account, we use different theoretical approaches to predict the energy landscape of charge carriers at the molecular level and review a few case studies highlighting the role of electrostatic interactions in conjugated organic molecules. We describe the pros and cons of different theoretical approaches that provide access to the energy landscape defining the motion of charge carriers. We illustrate the applications of these approaches through selected examples involving OFETs, OLEDs, and solar cells. The three selected examples collectively show that energetic disorder governs device performances and highlights the relevance of theoretical tools to probe energy landscapes in molecular assemblies.

  20. Energy landscape for martensitic phase transformation in shape memory NiTi

    International Nuclear Information System (INIS)

    Kibey, S.; Sehitoglu, H.; Johnson, D.D.

    2009-01-01

    First-principles calculations are presented for parent B2 phase and martensitic B19 and B19' phases in NiTi. The results indicate that both B19 and B19' are energetically more stable than the parent B2 phase. By means of ab initio density functional theory, the complete distortion-shuffle energy landscape associated with B2 → B19 transformation in NiTi is then determined. In addition to accounting for the Bain-type deformation through the Cauchy-Born rule, the study explicitly accounts for the shuffle displacements experienced by the internal ions in NiTi. The energy landscape allows the energy barrier associated with the B2 → B19 transformation pathway to be identified. The results indicate that a barrier of 0.48 mRyd atom -1 (relative to the B2 phase) must be overcome to transform the parent B2 NiTi to orthorhombic B19 martensite

  1. Quantitative analysis of the publishing landscape in high-energy physics

    International Nuclear Information System (INIS)

    Mele, Salvatore; Dallman, David; Vigen, Jens; Yeomans, Joanne

    2006-01-01

    World-wide collaboration in high-energy physics (HEP) is a tradition which dates back several decades, with scientific publications mostly coauthored by scientists from different countries. This coauthorship phenomenon makes it difficult to identify precisely the 'share' of each country in HEP scientific production. One year's worth of HEP scientific articles published in peer-reviewed journals is analysed and their authors are uniquely assigned to countries. This method allows the first correct estimation on a pro rata basis of the share of HEP scientific publishing among several countries and institutions. The results provide an interesting insight into the geographical collaborative patterns of the HEP community. The HEP publishing landscape is further analysed to provide information on the journals favoured by the HEP community and on the geographical variation of their author bases. These results provide quantitative input to the ongoing debate on the possible transition of HEP publishing to an Open Access model. Foreword. This paper reports the results of a recent detailed study of the publishing landscape in high energy physics. We thought that because of its direct relevance to the high energy physics community, this important quantitative input to the debate on the transition to Open Access naturally finds its place in our journal. Marc Henneaux, JHEP Scientific Director

  2. Changing energy-related behavior: An Intervention Mapping approach

    International Nuclear Information System (INIS)

    Kok, Gerjo; Lo, Siu Hing; Peters, Gjalt-Jorn Y.; Ruiter, Robert A.C.

    2011-01-01

    This paper's objective is to apply Intervention Mapping, a planning process for the systematic development of theory- and evidence-based health promotion interventions, to the development of interventions to promote energy conservation behavior. Intervention Mapping (IM) consists of six steps: needs assessment, program objectives, methods and applications, program development, planning for program implementation, and planning for program evaluation. Examples from the energy conservation field are provided to illustrate the activities associated with these steps. It is concluded that applying IM in the energy conservation field may help the development of effective behavior change interventions, and thus develop a domain specific knowledge-base for effective intervention design. - Highlights: → Intervention Mapping (IM) is a planning process for developing evidence-based interventions.→ IM takes a problem-driven rather than theory-driven approach. → IM can be applied to the promotion of energy-conservation in a multilevel approach. → IM helps identifying determinants of behaviors and environmental conditions. → IM helps selecting appropriate theory-based methods and practical applications.

  3. Changing energy-related behavior: An Intervention Mapping approach

    Energy Technology Data Exchange (ETDEWEB)

    Kok, Gerjo, E-mail: g.kok@maastrichtuniversity.nl [Department of Work and Social Psychology, Maastricht University, P.O. Box 616, 6200 MD Maastricht (Netherlands); Lo, Siu Hing, E-mail: siu-hing.lo@maastrichtuniversity.nl [Department of Work and Social Psychology, Maastricht University, P.O. Box 616, 6200 MD Maastricht (Netherlands); Peters, Gjalt-Jorn Y., E-mail: gj.peters@maastrichtuniversity.nl [Department of Work and Social Psychology, Maastricht University, P.O. Box 616, 6200 MD Maastricht (Netherlands); Ruiter, Robert A.C., E-mail: r.ruiter@maastrichtuniversity.nl [Department of Work and Social Psychology, Maastricht University, P.O. Box 616, 6200 MD Maastricht (Netherlands)

    2011-09-15

    This paper's objective is to apply Intervention Mapping, a planning process for the systematic development of theory- and evidence-based health promotion interventions, to the development of interventions to promote energy conservation behavior. Intervention Mapping (IM) consists of six steps: needs assessment, program objectives, methods and applications, program development, planning for program implementation, and planning for program evaluation. Examples from the energy conservation field are provided to illustrate the activities associated with these steps. It is concluded that applying IM in the energy conservation field may help the development of effective behavior change interventions, and thus develop a domain specific knowledge-base for effective intervention design. - Highlights: > Intervention Mapping (IM) is a planning process for developing evidence-based interventions.> IM takes a problem-driven rather than theory-driven approach. > IM can be applied to the promotion of energy-conservation in a multilevel approach. > IM helps identifying determinants of behaviors and environmental conditions. > IM helps selecting appropriate theory-based methods and practical applications.

  4. Assignment of Side-Chain Conformation Using Adiabatic Energy Mapping, Free Energy Perturbation, and Molecular Dynamic Simulations

    DEFF Research Database (Denmark)

    Frimurer, Thomas M.; Günther, Peter H.; Sørensen, Morten Dahl

    1999-01-01

    adiabatic mapping, conformational change, essentialdynamics, free energy simulations, Kunitz type inhibitor *ga3(VI)......adiabatic mapping, conformational change, essentialdynamics, free energy simulations, Kunitz type inhibitor *ga3(VI)...

  5. Wide-area mapping of small-scale features in agricultural landscapes using airborne remote sensing.

    Science.gov (United States)

    O'Connell, Jerome; Bradter, Ute; Benton, Tim G

    2015-11-01

    Natural and semi-natural habitats in agricultural landscapes are likely to come under increasing pressure with the global population set to exceed 9 billion by 2050. These non-cropped habitats are primarily made up of trees, hedgerows and grassy margins and their amount, quality and spatial configuration can have strong implications for the delivery and sustainability of various ecosystem services. In this study high spatial resolution (0.5 m) colour infrared aerial photography (CIR) was used in object based image analysis for the classification of non-cropped habitat in a 10,029 ha area of southeast England. Three classification scenarios were devised using 4 and 9 class scenarios. The machine learning algorithm Random Forest (RF) was used to reduce the number of variables used for each classification scenario by 25.5 % ± 2.7%. Proportion of votes from the 4 class hierarchy was made available to the 9 class scenarios and where the highest ranked variables in all cases. This approach allowed for misclassified parent objects to be correctly classified at a lower level. A single object hierarchy with 4 class proportion of votes produced the best result (kappa 0.909). Validation of the optimum training sample size in RF showed no significant difference between mean internal out-of-bag error and external validation. As an example of the utility of this data, we assessed habitat suitability for a declining farmland bird, the yellowhammer ( Emberiza citronella ), which requires hedgerows associated with grassy margins. We found that ∼22% of hedgerows were within 200 m of margins with an area >183.31 m 2 . The results from this analysis can form a key information source at the environmental and policy level in landscape optimisation for food production and ecosystem service sustainability.

  6. Mapping the functional landscape of frequent phenylalanine hydroxylase (PAH) genotypes promotes personalised medicine in phenylketonuria.

    Science.gov (United States)

    Danecka, Marta K; Woidy, Mathias; Zschocke, Johannes; Feillet, François; Muntau, Ania C; Gersting, Søren W

    2015-03-01

    In phenylketonuria, genetic heterogeneity, frequent compound heterozygosity, and the lack of functional data for phenylalanine hydroxylase genotypes hamper reliable phenotype prediction and individualised treatment. A literature search revealed 690 different phenylalanine hydroxylase genotypes in 3066 phenylketonuria patients from Europe and the Middle East. We determined phenylalanine hydroxylase function of 30 frequent homozygous and compound heterozygous genotypes covering 55% of the study population, generated activity landscapes, and assessed the phenylalanine hydroxylase working range in the metabolic (phenylalanine) and therapeutic (tetrahydrobiopterin) space. Shared patterns in genotype-specific functional landscapes were linked to biochemical and pharmacological phenotypes, where (1) residual activity below 3.5% was associated with classical phenylketonuria unresponsive to pharmacological treatment; (2) lack of defined peak activity induced loss of response to tetrahydrobiopterin; (3) a higher cofactor need was linked to inconsistent clinical phenotypes and low rates of tetrahydrobiopterin response; and (4) residual activity above 5%, a defined peak of activity, and a normal cofactor need were associated with pharmacologically treatable mild phenotypes. In addition, we provide a web application for retrieving country-specific information on genotypes and genotype-specific phenylalanine hydroxylase function that warrants continuous extension, updates, and research on demand. The combination of genotype-specific functional analyses with biochemical, clinical, and therapeutic data of individual patients may serve as a powerful tool to enable phenotype prediction and to establish personalised medicine strategies for dietary regimens and pharmacological treatment in phenylketonuria. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://group.bmj.com/group/rights-licensing/permissions.

  7. Wide-area mapping of small-scale features in agricultural landscapes using airborne remote sensing

    Science.gov (United States)

    O'Connell, Jerome; Bradter, Ute; Benton, Tim G.

    2015-11-01

    Natural and semi-natural habitats in agricultural landscapes are likely to come under increasing pressure with the global population set to exceed 9 billion by 2050. These non-cropped habitats are primarily made up of trees, hedgerows and grassy margins and their amount, quality and spatial configuration can have strong implications for the delivery and sustainability of various ecosystem services. In this study high spatial resolution (0.5 m) colour infrared aerial photography (CIR) was used in object based image analysis for the classification of non-cropped habitat in a 10,029 ha area of southeast England. Three classification scenarios were devised using 4 and 9 class scenarios. The machine learning algorithm Random Forest (RF) was used to reduce the number of variables used for each classification scenario by 25.5 % ± 2.7%. Proportion of votes from the 4 class hierarchy was made available to the 9 class scenarios and where the highest ranked variables in all cases. This approach allowed for misclassified parent objects to be correctly classified at a lower level. A single object hierarchy with 4 class proportion of votes produced the best result (kappa 0.909). Validation of the optimum training sample size in RF showed no significant difference between mean internal out-of-bag error and external validation. As an example of the utility of this data, we assessed habitat suitability for a declining farmland bird, the yellowhammer (Emberiza citronella), which requires hedgerows associated with grassy margins. We found that ˜22% of hedgerows were within 200 m of margins with an area >183.31 m2. The results from this analysis can form a key information source at the environmental and policy level in landscape optimisation for food production and ecosystem service sustainability.

  8. The Research Landscape of School-Based Sexuality Education: Systematic Mapping of the Literature

    Science.gov (United States)

    Roien, Line Anne; Graugaard, Christian; Simovska, Venka

    2018-01-01

    Purpose: The purpose of this paper is to map and discuss the overall characteristics of international research on school-based sexuality education, published in academic journals, with a particular focus on the framing of non-conservative approaches including sexuality education research targeting young pupils 6-12 years of age.…

  9. Next-generation forest change mapping across the United States: the landscape change monitoring system (LCMS)

    Science.gov (United States)

    Sean P. Healey; Warren B. Cohen; Yang Zhiqiang; Ken Brewer; Evan Brooks; Noel Gorelick; Mathew Gregory; Alexander Hernandez; Chengquan Huang; Joseph Hughes; Robert Kennedy; Thomas Loveland; Kevin Megown; Gretchen Moisen; Todd Schroeder; Brian Schwind; Stephen Stehman; Daniel Steinwand; James Vogelmann; Curtis Woodcock; Limin Yang; Zhe. Zhu

    2015-01-01

    Forest change information is critical in forest planning, ecosystem modeling, and in updating forest condition maps. The Landsat satellite platform has provided consistent observations of the world’s ecosystems since 1972. A number of innovative change detection algorithms have been developed to use the Landsat archive to identify and characterize forest change. The...

  10. Obsolete or resurgent? The International Energy Agency in a changing global landscape

    International Nuclear Information System (INIS)

    Van de Graaf, Thijs

    2012-01-01

    Founded in response to the 1973 oil shock, the International Energy Agency (IEA) is arguably still the most important multilateral organization for energy-importing countries. Yet, the global geopolitical landscape has changed considerably since the IEA's creation. The rise of new energy consumers, new energy-related challenges and new international energy forums prompt a rethink of the agency's current role and institutional design. This article seeks to contribute to the recent debate on the future role of the IEA by examining specific drivers, avenues and constraints for institutional reform. The method used is SWOT analysis, which allows to summarize the key factors emanating from an assessment of an organization's internal characteristics (strengths and weaknesses) and its external environment (opportunities and threats). Building on this SWOT analysis, the article formulates a strategy for the IEA to remain the focal point in global energy governance. Key elements of this strategy include: stronger engagement with new consumers, rapprochement with OPEC, becoming a leading voice in the energy transition, and changing the agency's internal governance practices. - Highlights: ► The IEA is challenged by the rise of new consumers, threats and organizations. ► Assessment of the agency’s internal characteristics and external environment. ► The IEA needs to step up its outreach policy and fully embrace sustainable energy.

  11. A deterministic method for estimating free energy genetic network landscapes with applications to cell commitment and reprogramming paths.

    Science.gov (United States)

    Olariu, Victor; Manesso, Erica; Peterson, Carsten

    2017-06-01

    Depicting developmental processes as movements in free energy genetic landscapes is an illustrative tool. However, exploring such landscapes to obtain quantitative or even qualitative predictions is hampered by the lack of free energy functions corresponding to the biochemical Michaelis-Menten or Hill rate equations for the dynamics. Being armed with energy landscapes defined by a network and its interactions would open up the possibility of swiftly identifying cell states and computing optimal paths, including those of cell reprogramming, thereby avoiding exhaustive trial-and-error simulations with rate equations for different parameter sets. It turns out that sigmoidal rate equations do have approximate free energy associations. With this replacement of rate equations, we develop a deterministic method for estimating the free energy surfaces of systems of interacting genes at different noise levels or temperatures. Once such free energy landscape estimates have been established, we adapt a shortest path algorithm to determine optimal routes in the landscapes. We explore the method on three circuits for haematopoiesis and embryonic stem cell development for commitment and reprogramming scenarios and illustrate how the method can be used to determine sequential steps for onsets of external factors, essential for efficient reprogramming.

  12. ReRouting biomedical innovation: observations from a mapping of the alternative research and development (R&D) landscape.

    Science.gov (United States)

    Greenberg, Alexandra; Kiddell-Monroe, Rachel

    2016-09-14

    In recent years, the world has witnessed the tragic outcomes of multiple global health crises. From Ebola to high prices to antibiotic resistance, these events highlight the fundamental constraints of the current biomedical research and development (R&D) system in responding to patient needs globally.To mitigate this lack of responsiveness, over 100 self-identified "alternative" R&D initiatives, have emerged in the past 15 years. To begin to make sense of this panoply of initiatives working to overcome the constraints of the current system, UAEM began an extensive, though not comprehensive, mapping of the alternative biomedical R&D landscape. We developed a two phase approach: (1) an investigation, via the RE:Route Mapping, of both existing and proposed initiatives that claim to offer an alternative approach to R&D, and (2) evaluation of those initiatives to determine which are in fact achieving increased access to and innovation in medicines. Through phase 1, the RE:Route Mapping, we examined 81 initiatives that claim to redress the inequity perpetuated by the current system via one of five commonly recognized mechanisms necessary for truly alternative R&D.Preliminary analysis of phase 1 provides the following conclusions: 1. No initiative presents a completely alternative model of biomedical R&D. 2. The majority of initiatives focus on developing incentives for drug discovery. 3. The majority of initiatives focus on rare diseases or diseases of the poor and marginalized. 4. There is an increasing emphasis on the use of push, pull, pool, collaboration and open mechanisms alongside the concept of delinkage in alternative R&D. 5. There is a trend towards public funding and launching of initiatives by the Global South. Given the RE:Route Mapping's inevitable limitations and the assumptions made in its methodology, it is not intended to be the final word on a constantly evolving and complex field; however, its findings are significant. The Mapping's value lies in its

  13. A Tale of Two Regions: Landscape Ecological Planning for Shale Gas Energy Futures

    Science.gov (United States)

    Murtha, T., Jr.; Schroth, O.; Orland, B.; Goldberg, L.; Mazurczyk, T.

    2015-12-01

    As we increasingly embrace deep shale gas deposits to meet global energy demands new and dispersed local and regional policy and planning challenges emerge. Even in regions with long histories of energy extraction, such as coal, shale gas and the infrastructure needed to produce the gas and transport it to market offers uniquely complex transformations in land use and landcover not previously experienced. These transformations are fast paced, dispersed and can overwhelm local and regional planning and regulatory processes. Coupled to these transformations is a structural confounding factor. While extraction and testing are carried out locally, regulation and decision-making is multilayered, often influenced by national and international factors. Using a geodesign framework, this paper applies a set of geospatial landscape ecological planning tools in two shale gas settings. First, we describe and detail a series of ongoing studies and tools that we have developed for communities in the Marcellus Shale region of the eastern United States, specifically the northern tier of Pennsylvania. Second, we apply a subset of these tools to potential gas development areas of the Fylde region in Lancashire, United Kingdom. For the past five years we have tested, applied and refined a set of place based and data driven geospatial models for forecasting, envisioning, analyzing and evaluating shale gas activities in northern Pennsylvania. These models are continuously compared to important landscape ecological planning challenges and priorities in the region, e.g. visual and cultural resource preservation. Adapting and applying these tools to a different landscape allow us to not only isolate and define important regulatory and policy exigencies in each specific setting, but also to develop and refine these models for broader application. As we continue to explore increasingly complex energy solutions globally, we need an equally complex comparative set of landscape ecological

  14. Protein Folding Free Energy Landscape along the Committor - the Optimal Folding Coordinate.

    Science.gov (United States)

    Krivov, Sergei V

    2018-06-06

    Recent advances in simulation and experiment have led to dramatic increases in the quantity and complexity of produced data, which makes the development of automated analysis tools very important. A powerful approach to analyze dynamics contained in such data sets is to describe/approximate it by diffusion on a free energy landscape - free energy as a function of reaction coordinates (RC). For the description to be quantitatively accurate, RCs should be chosen in an optimal way. Recent theoretical results show that such an optimal RC exists; however, determining it for practical systems is a very difficult unsolved problem. Here we describe a solution to this problem. We describe an adaptive nonparametric approach to accurately determine the optimal RC (the committor) for an equilibrium trajectory of a realistic system. In contrast to alternative approaches, which require a functional form with many parameters to approximate an RC and thus extensive expertise with the system, the suggested approach is nonparametric and can approximate any RC with high accuracy without system specific information. To avoid overfitting for a realistically sampled system, the approach performs RC optimization in an adaptive manner by focusing optimization on less optimized spatiotemporal regions of the RC. The power of the approach is illustrated on a long equilibrium atomistic folding simulation of HP35 protein. We have determined the optimal folding RC - the committor, which was confirmed by passing a stringent committor validation test. It allowed us to determine a first quantitatively accurate protein folding free energy landscape. We have confirmed the recent theoretical results that diffusion on such a free energy profile can be used to compute exactly the equilibrium flux, the mean first passage times, and the mean transition path times between any two points on the profile. We have shown that the mean squared displacement along the optimal RC grows linear with time as for

  15. Hoelder continuity of energy minimizer maps between Riemannian polyhedra

    International Nuclear Information System (INIS)

    Bouziane, Taoufik

    2004-10-01

    The goal of the present paper is to establish some kind of regularity of an energy minimizer map between Riemannian polyhedra. More precisely, we will show the Hoelder continuity of local energy minimizers between Riemannian polyhedra with the target spaces without focal points. With this new result, we also complete our existence theorem obtained elsewhere, and consequently we generalize completely, to the case of target polyhedra without focal points (which is a weaker geometric condition than the nonpositivity of the curvature), the Eells-Fuglede's existence and regularity theorem which is the new version of the famous Eells-Sampson's theorem. (author)

  16. A cavitation transition in the energy landscape of simple cohesive liquids and glasses

    International Nuclear Information System (INIS)

    Altabet, Y. Elia; Debenedetti, Pablo G.; Stillinger, Frank H.

    2016-01-01

    In particle systems with cohesive interactions, the pressure-density relationship of the mechanically stable inherent structures sampled along a liquid isotherm (i.e., the equation of state of an energy landscape) will display a minimum at the Sastry density ρ S . The tensile limit at ρ S is due to cavitation that occurs upon energy minimization, and previous characterizations of this behavior suggested that ρ S is a spinodal-like limit that separates all homogeneous and fractured inherent structures. Here, we revisit the phenomenology of Sastry behavior and find that it is subject to considerable finite-size effects, and the development of the inherent structure equation of state with system size is consistent with the finite-size rounding of an athermal phase transition. What appears to be a continuous spinodal-like point at finite system sizes becomes discontinuous in the thermodynamic limit, indicating behavior akin to a phase transition. We also study cavitation in glassy packings subjected to athermal expansion. Many individual expansion trajectories averaged together produce a smooth equation of state, which we find also exhibits features of finite-size rounding, and the examples studied in this work give rise to a larger limiting tension than for the corresponding landscape equation of state.

  17. The energy landscape of glassy dynamics on the amorphous hafnium diboride surface

    Science.gov (United States)

    Nguyen, Duc; Mallek, Justin; Cloud, Andrew N.; Abelson, John R.; Girolami, Gregory S.; Lyding, Joseph; Gruebele, Martin

    2014-11-01

    Direct visualization of the dynamics of structural glasses and amorphous solids on the sub-nanometer scale provides rich information unavailable from bulk or conventional single molecule techniques. We study the surface of hafnium diboride, a conductive ultrahigh temperature ceramic material that can be grown in amorphous films. Our scanning tunneling movies have a second-to-hour dynamic range and single-point current measurements extend that to the millisecond-to-minute time scale. On the a-HfB2 glass surface, two-state hopping of 1-2 nm diameter cooperatively rearranging regions or "clusters" occurs from sub-milliseconds to hours. We characterize individual clusters in detail through high-resolution (single cluster vertical displacements, we can reconstruct the local free energy landscape of individual clusters, complete with activation barrier height, a reaction coordinate in nanometers, and the shape of the free energy landscape basins between which hopping occurs. The experimental images are consistent with the compact shape of α-relaxors predicted by random first order transition theory, whereas the rapid hopping rate, even taking less confined motion at the surface into account, is consistent with β-relaxations. We make a proposal of how "mixed" features can show up in surface dynamics of glasses.

  18. Mapping lightscapes: spatial patterning of artificial lighting in an urban landscape.

    Science.gov (United States)

    Hale, James D; Davies, Gemma; Fairbrass, Alison J; Matthews, Thomas J; Rogers, Christopher D F; Sadler, Jon P

    2013-01-01

    Artificial lighting is strongly associated with urbanisation and is increasing in its extent, brightness and spectral range. Changes in urban lighting have both positive and negative effects on city performance, yet little is known about how its character and magnitude vary across the urban landscape. A major barrier to related research, planning and governance has been the lack of lighting data at the city extent, particularly at a fine spatial resolution. Our aims were therefore to capture such data using aerial night photography and to undertake a case study of urban lighting. We present the finest scale multi-spectral lighting dataset available for an entire city and explore how lighting metrics vary with built density and land-use. We found positive relationships between artificial lighting indicators and built density at coarse spatial scales, whilst at a local level lighting varied with land-use. Manufacturing and housing are the primary land-use zones responsible for the city's brightly lit areas, yet manufacturing sites are relatively rare within the city. Our data suggests that efforts to address light pollution should broaden their focus from residential street lighting to include security lighting within manufacturing areas.

  19. Geostatistics for Mapping Leaf Area Index over a Cropland Landscape: Efficiency Sampling Assessment

    Directory of Open Access Journals (Sweden)

    Javier Garcia-Haro

    2010-11-01

    Full Text Available This paper evaluates the performance of spatial methods to estimate leaf area index (LAI fields from ground-based measurements at high-spatial resolution over a cropland landscape. Three geostatistical model variants of the kriging technique, the ordinary kriging (OK, the collocated cokriging (CKC and kriging with an external drift (KED are used. The study focused on the influence of the spatial sampling protocol, auxiliary information, and spatial resolution in the estimates. The main advantage of these models lies in the possibility of considering the spatial dependence of the data and, in the case of the KED and CKC, the auxiliary information for each location used for prediction purposes. A high-resolution NDVI image computed from SPOT TOA reflectance data is used as an auxiliary variable in LAI predictions. The CKC and KED predictions have proven the relevance of the auxiliary information to reproduce the spatial pattern at local scales, proving the KED model to be the best estimator when a non-stationary trend is observed. Advantages and limitations of the methods in LAI field predictions for two systematic and two stratified spatial samplings are discussed for high (20 m, medium (300 m and coarse (1 km spatial scales. The KED has exhibited the best observed local accuracy for all the spatial samplings. Meanwhile, the OK model provides comparable results when a well stratified sampling scheme is considered by land cover.

  20. Mapping Process to Pattern in the Landscape Change of the Amazonian Frontier

    Science.gov (United States)

    Walker, Robert

    2003-01-01

    Changes in land use and land cover are dynamic processes reflecting a sequence of decisions made by individual land managers. In developing economies, these decisions may be embedded in the evolution of individual households, as is often the case in indigenous areas and agricultural frontiers. One goal of the present article is to address the land use and land-cover decisions of colonist farmers in the Amazon Basin as a function, in part, of household characteristics. Another goal is to generalize the issue of tropical deforestation into a broader discussion on forest dynamics. The extent of secondary forest in tropical areas has been well documented in South America and Africa. Agricultural-plot abandonment often occurs in tandem with primary forest clearance and as part of the same decision-making calculus. Consequently, tropical deforestation and forest succession are not independent processes in the landscape. This article presents a framework that integrates them into a model of forest dynamics at household level, and in so doing provides an account of the spatial pattern of deforestation that has been observed in the Amazon's colonization frontiers.

  1. COMPLEX MAPPING OF ENERGY RESOURCES FOR ALLOCATION OF SOLAR AND WIND ENERGY OBJECTS

    Directory of Open Access Journals (Sweden)

    B. A. Novakovskiy

    2016-01-01

    Full Text Available The paper presents developed methodology of solar and wind energy resources complex mapping at the regional level, taking into account the environmental and socio-economic factors affecting the placement of renewable energy facilities. Methodology provides a reasonable search and allocation of areas, the most promising for the placement of wind and solar power plants.

  2. USVI Energy Road Map: Charting the Course to a Clean Energy Future (Brochure)

    Energy Technology Data Exchange (ETDEWEB)

    2011-07-01

    This brochure provides an overview of the integrated clean energy deployment process and progress of the Energy Development in Island Nations U.S. Virgin Islands pilot project road map, including over-arching goals, organization, strategy, technology-specific goals and accomplishments, challenges, solutions, and upcoming milestones.

  3. Remote sensing based mapping of leaf nitrogen and leaf area index in European landscapes using the REGularized canopy reFLECtance (REGFLEC) model

    DEFF Research Database (Denmark)

    Boegh, E.; Houborg, R.; Bienkowski, J.

    2011-01-01

    index (LAI) are important determinants of the maximum CO2 Methods/Approach uptake by plants and trees. In the EU project NitroEurope, high spatial resolution (10-20 m) remote sensing data from the HRG and HRVIR sensors onboard the SPOT satellites were acquired to derive maps of leaf N and LAI for 5...... European landscapes. The estimations of leaf N, Cab and LAI soil reflectance parameters and canopy parameters are discussed in relation to the prevailing soil types and vegetation characteristics of land cover classes across the 5 European landscapes....

  4. Communication: Theoretical prediction of free-energy landscapes for complex self-assembly

    Energy Technology Data Exchange (ETDEWEB)

    Jacobs, William M.; Reinhardt, Aleks; Frenkel, Daan [Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW (United Kingdom)

    2015-01-14

    We present a technique for calculating free-energy profiles for the nucleation of multicomponent structures that contain as many species as building blocks. We find that a key factor is the topology of the graph describing the connectivity of the target assembly. By considering the designed interactions separately from weaker, incidental interactions, our approach yields predictions for the equilibrium yield and nucleation barriers. These predictions are in good agreement with corresponding Monte Carlo simulations. We show that a few fundamental properties of the connectivity graph determine the most prominent features of the assembly thermodynamics. Surprisingly, we find that polydispersity in the strengths of the designed interactions stabilizes intermediate structures and can be used to sculpt the free-energy landscape for self-assembly. Finally, we demonstrate that weak incidental interactions can preclude assembly at equilibrium due to the combinatorial possibilities for incorrect association.

  5. Alternating access mechanisms of LeuT-fold transporters: trailblazing towards the promised energy landscapes.

    Science.gov (United States)

    Kazmier, Kelli; Claxton, Derek P; Mchaourab, Hassane S

    2017-08-01

    Secondary active transporters couple the uphill translocation of substrates to electrochemical ion gradients. Transporter conformational motion, generically referred to as alternating access, enables a central ligand binding site to change its orientation relative to the membrane. Here we review themes of alternating access and the transduction of ion gradient energy to power this process in the LeuT-fold class of transporters where crystallographic, computational and spectroscopic approaches have converged to yield detailed models of transport cycles. Specifically, we compare findings for the Na + -coupled amino acid transporter LeuT and the Na + -coupled hydantoin transporter Mhp1. Although these studies have illuminated multiple aspects of transporter structures and dynamics, a number of questions remain unresolved that so far hinder understanding transport mechanisms in an energy landscape perspective. Copyright © 2016 Elsevier Ltd. All rights reserved.

  6. Revisiting Renewable Energy Map in Indonesia: Seasonal Hydro and Solar Energy Potential for Rural Off-Grid Electrification (Provincial Level

    Directory of Open Access Journals (Sweden)

    Agung Wahyuono Ruri

    2018-01-01

    Full Text Available Regarding the acceleration of renewable energy diffusion in Indonesia as well as achieving the national energy mix target, renewable energy map is essential to provide useful information to build renewable energy system. This work aims at updating the renewable energy potential map, i.e. hydro and solar energy potential, with a revised model based on the global climate data. The renewable energy map is intended to assist the design off-grid system by hydropower plant or photovoltaic system, particularly for rural electrification. Specifically, the hydro energy map enables the stakeholders to determine the suitable on-site hydro energy technology (from pico-hydro, micro-hydro, mini-hydro to large hydropower plant. Meanwhile, the solar energy map depicts not only seasonal solar energy potential but also estimated energy output from photovoltaic system.

  7. Functional materials discovery using energy-structure-function maps.

    Science.gov (United States)

    Pulido, Angeles; Chen, Linjiang; Kaczorowski, Tomasz; Holden, Daniel; Little, Marc A; Chong, Samantha Y; Slater, Benjamin J; McMahon, David P; Bonillo, Baltasar; Stackhouse, Chloe J; Stephenson, Andrew; Kane, Christopher M; Clowes, Rob; Hasell, Tom; Cooper, Andrew I; Day, Graeme M

    2017-03-30

    Molecular crystals cannot be designed in the same manner as macroscopic objects, because they do not assemble according to simple, intuitive rules. Their structures result from the balance of many weak interactions, rather than from the strong and predictable bonding patterns found in metal-organic frameworks and covalent organic frameworks. Hence, design strategies that assume a topology or other structural blueprint will often fail. Here we combine computational crystal structure prediction and property prediction to build energy-structure-function maps that describe the possible structures and properties that are available to a candidate molecule. Using these maps, we identify a highly porous solid, which has the lowest density reported for a molecular crystal so far. Both the structure of the crystal and its physical properties, such as methane storage capacity and guest-molecule selectivity, are predicted using the molecular structure as the only input. More generally, energy-structure-function maps could be used to guide the experimental discovery of materials with any target function that can be calculated from predicted crystal structures, such as electronic structure or mechanical properties.

  8. Technology Road-map - Nuclear Energy. 2015 edition

    International Nuclear Information System (INIS)

    Houssin, Didier; Dujardin, Thierry; Cameron, Ron; Tam, Cecilia; Paillere, Henri; Baroni, Marco; Bromhead, Amos; Baritaud, Manual; Cometto, Marco; Gaghen, Rebecca; Herzog, Antoine; Remme, Uwe; Urso, Maria-Elena; Vance, Robert

    2015-01-01

    Since the release in 2010 of Technology Road-map: Nuclear Energy (IEA/NEA, 2010), a number of events have had a significant impact on the global energy sector and on the outlook for nuclear energy. They include the Fukushima Daiichi nuclear power plant (NPP) accident in March 2011, the global financial and economic crises that hit many industrialised countries during the period 2008-10 and failings in both electricity and CO 2 markets. Despite these additional challenges, nuclear energy still remains a proven low-carbon source of base-load electricity, and many countries have reaffirmed the importance of nuclear energy within their countries' energy strategies. To achieve the goal of limiting global temperature increases to just 2 deg. C by the end of the century, a halving of global energy-related emissions by 2050 will be needed. A wide range of low-carbon energy technologies will be needed to support this transition, including nuclear energy. This edition of the nuclear road-map prepared jointly by the IEA and NEA take into account recent challenges facing the development of this technology. The 2015 edition of the Nuclear Energy Technology Road-map aims to: Outline the current status of nuclear technology development and the need for additional R and D to address increased safety requirements and improved economics. Provide an updated vision of the role that nuclear energy could play in a low-carbon energy system, taking into account changes in nuclear policy in various countries, as well as the current economics of nuclear and other low-carbon electricity technologies. Identify barriers and actions needed to accelerate the development of nuclear technologies to meet the Road-map vision. Share lessons learnt and good practices in nuclear safety and regulation, front- and back-end fuel cycle practices, construction, decommissioning, financing, training, capacity building and communication. Key findings: Nuclear power is the largest source of low

  9. Nonequilibrium landscape theory of neural networks.

    Science.gov (United States)

    Yan, Han; Zhao, Lei; Hu, Liang; Wang, Xidi; Wang, Erkang; Wang, Jin

    2013-11-05

    The brain map project aims to map out the neuron connections of the human brain. Even with all of the wirings mapped out, the global and physical understandings of the function and behavior are still challenging. Hopfield quantified the learning and memory process of symmetrically connected neural networks globally through equilibrium energy. The energy basins of attractions represent memories, and the memory retrieval dynamics is determined by the energy gradient. However, the realistic neural networks are asymmetrically connected, and oscillations cannot emerge from symmetric neural networks. Here, we developed a nonequilibrium landscape-flux theory for realistic asymmetrically connected neural networks. We uncovered the underlying potential landscape and the associated Lyapunov function for quantifying the global stability and function. We found the dynamics and oscillations in human brains responsible for cognitive processes and physiological rhythm regulations are determined not only by the landscape gradient but also by the flux. We found that the flux is closely related to the degrees of the asymmetric connections in neural networks and is the origin of the neural oscillations. The neural oscillation landscape shows a closed-ring attractor topology. The landscape gradient attracts the network down to the ring. The flux is responsible for coherent oscillations on the ring. We suggest the flux may provide the driving force for associations among memories. We applied our theory to rapid-eye movement sleep cycle. We identified the key regulation factors for function through global sensitivity analysis of landscape topography against wirings, which are in good agreements with experiments.

  10. Directed Magnetic Particle Transport above Artificial Magnetic Domains Due to Dynamic Magnetic Potential Energy Landscape Transformation.

    Science.gov (United States)

    Holzinger, Dennis; Koch, Iris; Burgard, Stefan; Ehresmann, Arno

    2015-07-28

    An approach for a remotely controllable transport of magnetic micro- and/or nanoparticles above a topographically flat exchange-bias (EB) thin film system, magnetically patterned into parallel stripe domains, is presented where the particle manipulation is achieved by sub-mT external magnetic field pulses. Superparamagnetic core-shell particles are moved stepwise by the dynamic transformation of the particles' magnetic potential energy landscape due to the external magnetic field pulses without affecting the magnetic state of the thin film system. The magnetic particle velocity is adjustable in the range of 1-100 μm/s by the design of the substrate's magnetic field landscape (MFL), the particle-substrate distance, and the magnitude of the applied external magnetic field pulses. The agglomeration of magnetic particles is avoided by the intrinsic magnetostatic repulsion of particles due to the parallel alignment of the particles' magnetic moments perpendicular to the transport direction and parallel to the surface normal of the substrate during the particle motion. The transport mechanism is modeled by a quantitative theory based on the precise knowledge of the sample's MFL and the particle-substrate distance.

  11. Development of optimized segmentation map in dual energy computed tomography

    Science.gov (United States)

    Yamakawa, Keisuke; Ueki, Hironori

    2012-03-01

    Dual energy computed tomography (DECT) has been widely used in clinical practice and has been particularly effective for tissue diagnosis. In DECT the difference of two attenuation coefficients acquired by two kinds of X-ray energy enables tissue segmentation. One problem in conventional DECT is that the segmentation deteriorates in some cases, such as bone removal. This is due to two reasons. Firstly, the segmentation map is optimized without considering the Xray condition (tube voltage and current). If we consider the tube voltage, it is possible to create an optimized map, but unfortunately we cannot consider the tube current. Secondly, the X-ray condition is not optimized. The condition can be set empirically, but this means that the optimized condition is not used correctly. To solve these problems, we have developed methods for optimizing the map (Method-1) and the condition (Method-2). In Method-1, the map is optimized to minimize segmentation errors. The distribution of the attenuation coefficient is modeled by considering the tube current. In Method-2, the optimized condition is decided to minimize segmentation errors depending on tube voltagecurrent combinations while keeping the total exposure constant. We evaluated the effectiveness of Method-1 by performing a phantom experiment under the fixed condition and of Method-2 by performing a phantom experiment under different combinations calculated from the total exposure constant. When Method-1 was followed with Method-2, the segmentation error was reduced from 37.8 to 13.5 %. These results demonstrate that our developed methods can achieve highly accurate segmentation while keeping the total exposure constant.

  12. Impacts on the environment and landscape of new energy productions on farm parcels and buildings, Final report

    International Nuclear Information System (INIS)

    Pointereau, Ph.; Bochu, J.L.; Couturier, Ch.; Coulon, F.; Arnal, A.; Giorgis, S.

    2009-01-01

    This study aims at identifying positive and negative impacts of new energy productions implemented in farms on the environment (water, soil, biodiversity, space occupancy) and on landscapes, and at proposing techniques and regulations to strengthen positive consequences and to limit possible problems created by these energy productions. The considered productions are: trees apart from forest (hedges and copses), new farm energetic crops (Miscanthus for example), solar equipment (photovoltaic mounted on buildings or on ground, solar hot water and solar dryers), biogas production equipment, hydraulic micro-plants. The authors addressed the following environmental impacts: water (in quantity and quality), soils (quality, erosion risks), biodiversity, space occupancy (with respect to other activities), and landscape

  13. A data-driven analysis of energy balance closure across FLUXNET research sites: The role of landscape scale heterogeneity

    DEFF Research Database (Denmark)

    Stoy, Paul C.; Mauder, Matthias; Foken, Thomas

    2013-01-01

    approached 1. These results suggest that landscape-level heterogeneity in vegetation and topography cannot be ignored as a contributor to incomplete energy balance closure at the flux network level, although net radiation measurements, biological energy assimilation, unmeasured storage terms......The energy balance at most surface-atmosphere flux research sites remains unclosed. The mechanisms underlying the discrepancy between measured energy inputs and outputs across the global FLUXNET tower network are still under debate. Recent reviews have identified exchange processes and turbulent...... motions at large spatial and temporal scales in heterogeneous landscapes as the primary cause of the lack of energy balance closure at some intensively-researched sites, while unmeasured storage terms cannot be ruled out as a dominant contributor to the lack of energy balance closure at many other sites...

  14. A Community Landscape Model of Pro-Environmental Behavior: The Effects of Landscape and Community Interaction on Residential Energy Behaviors in Two Pennsylvania Towns

    Science.gov (United States)

    Mainzer, Stephen P.

    We are using more energy every year. Between 2001 and 2011, Pennsylvania residential electricity sales increased by two and a half times the number of new customers, accounting for almost one third of the state's total electricity consumption. Our ability to meet demand by acquiring new energy sources faces several challenges. Confusion surrounds the physical and economic accessibility of remaining fossil fuel sources. Immense land use requirements and subsequent environmental impacts challenge a total shift to renewable energy sources. The laws of thermodynamics limit the potential for new technology to efficiently convert raw energy to consumable sources. As a result, any rational strategy to meet future energy demands must involve conservation. Conservation is a pro-environmental behavior, an act intended to benefit the environment surrounding a person. I posit that a transdisciplinary model, the community landscape model of the pro-environmental behavior, unifies the conceptually analogous - yet disparate - fields of landscape, community, and behavior towards explaining residential energy conservation actions. Specifically, the study attempted to describe links between the physical environment, social environment, and conservation behaviors through a mixed-method framework. Two Pennsylvania townships - Spring and East Buffalo townships - were selected from an analysis of housing, electricity consumption, and land cover trends. Key informants from both townships informed the design of a survey instrument that captured the utility consumption, residential conservation actions, energy and environmental values, types and levels of community engagement, perceived barriers, and socio-demographic information from 107 randomly selected households. A mixed-method analysis produced evidence that place-based values and intention to participate in the community were significantly linked to lower utility consumption in households. People who cared deeply about their town

  15. Implementing automatic LiDAR and supervised mapping methodologies to quantify agricultural terraced landforms at landscape scale: the case of Veneto Region

    Science.gov (United States)

    Eugenio Pappalardo, Salvatore; Ferrarese, Francesco; Tarolli, Paolo; Varotto, Mauro

    2016-04-01

    Traditional agricultural terraced landscapes presently embody an important cultural value to be deeply investigated, both for their role in local heritage and cultural economy and for their potential geo-hydrological hazard due to abandonment and degradation. Moreover, traditional terraced landscapes are usually based on non-intensive agro-systems and may enhance some important ecosystems services such as agro-biodiversity conservation and cultural services. Due to their unplanned genesis, mapping, quantifying and classifying agricultural terraces at regional scale is often critical as far as they are usually set up on geomorphologically and historically complex landscapes. Hence, traditional mapping methods are generally based on scientific literature and local documentation, historical and cadastral sources, technical cartography and aerial images visual interpretation or, finally, field surveys. By this, limitations and uncertainty in mapping at regional scale are basically related to forest cover and lack in thematic cartography. The Veneto Region (NE of Italy) presents a wide heterogeneity of agricultural terraced landscapes, mainly distributed within the hilly and Prealps areas. Previous studies performed by traditional mapping method quantified 2,688 ha of terraced areas, showing the higher values within the Prealps of Lessinia (1,013 ha, within the Province of Verona) and in the Brenta Valley (421 ha, within the Province of Vicenza); however, terraced features of these case studies show relevant differences in terms of fragmentation and intensity of terraces, highlighting dissimilar degrees of clusterization: 1.7 ha on one hand (Province of Verona) and 1.2 ha per terraced area (Province of Vicenza) on the other one. The aim of this paper is to implement and to compare automatic methodologies with traditional survey methodologies to map and assess agricultural terraces in two representative areas of the Veneto Region. Testing different Remote Sensing

  16. Unraveling the genetic landscape of autosomal recessive Charcot-Marie-Tooth neuropathies using a homozygosity mapping approach

    Science.gov (United States)

    Zimoń, Magdalena; Battaloǧlu, Esra; Parman, Yesim; Erdem, Sevim; Baets, Jonathan; De Vriendt, Els; Atkinson, Derek; Almeida-Souza, Leonardo; Deconinck, Tine; Ozes, Burcak; Goossens, Dirk; Cirak, Sebahattin; Van Damme, Philip; Shboul, Mohammad; Voit, Thomas; Van Maldergem, Lionel; Dan, Bernard; El-Khateeb, Mohammed S.; Guergueltcheva, Velina; Lopez-Laso, Eduardo; Goemans, Nathalie; Masri, Amira; Züchner, Stephan; Timmerman, Vincent; Topaloǧlu, Haluk; De Jonghe, Peter

    2016-01-01

    Autosomal recessive forms of Charcot-Marie-Tooth disease (ARCMT) are rare but severe disorders of the peripheral nervous system. Their molecular basis is poorly understood due to the extensive genetic and clinical heterogeneity, posing considerable challenges for patients, physicians, and researchers. We report on the genetic findings from a systematic study of a large collection of 174 independent ARCMT families. Initial sequencing of the three most common ARCMT genes (ganglioside-induced differentiation protein 1—GDAP1, SH3 domain and tetratricopeptide repeats-containing protein 2—SH3TC2, histidine-triad nucleotide binding protein 1—HINT1) identified pathogenic mutations in 41 patients. Subsequently, 87 selected nuclear families underwent single nucleotide polymorphism (SNP) genotyping and homozygosity mapping, followed by targeted screening of known ARCMT genes. This strategy provided molecular diagnosis to 22 % of the families. Altogether, our unbiased genetic approach identified pathogenic mutations in ten ARCMT genes in a total of 41.3 % patients. Apart from a newly described founder mutation in GDAP1, the majority of variants constitute private molecular defects. Since the gene testing was independent of the clinical phenotype of the patients, we identified mutations in patients with unusual or additional clinical features, extending the phenotypic spectrum of the SH3TC2 gene. Our study provides an overview of the ARCMT genetic landscape and proposes guidelines for tackling the genetic heterogeneity of this group of hereditary neuropathies. PMID:25231362

  17. Control over Structure and Function of Peptide Amphiphile Supramolecular Assemblies through Molecular Design and Energy Landscapes

    Science.gov (United States)

    Tantakitti, Faifan

    Supramolecular chemistry is a powerful tool to create a material of a defined structure with tunable properties. This strategy has led to catalytically active, bioactive, and environment-responsive materials, among others, that are valuable in applications ranging from sensor technology to energy and medicine. Supramolecular polymers formed by peptide amphiphiles (PAs) have been especially relevant in tissue regeneration due to their ability to form biocompatible structures and mimic many important signaling molecules in biology. These supramolecular polymers can form nanofibers that create networks which mimic natural extracellular matrices. PA materials have been shown to induce growth of blood vessels, bone, cartilage, and nervous tissue, among others. The work described in this thesis not only studied the relationship between molecular structure and functions of PA assemblies, but also uncovered a powerful link between the energy landscape of their supramolecular self-assembly and the ability of PA materials to interact with cells. In chapter 2, it is argued that fabricating fibrous nanostructures with defined mechanical properties and decoration with bioactive molecules is not sufficient to create a material that can effectively communicate with cells. By systemically placing the fibronectin-derived RGDS epitope at increasing distances from the surface of PA nanofibers through a linker of one to five glycine residues, integrin-mediated RGDS signaling was enhanced. The results suggested that the spatial presentation of an epitope on PA nanofibers strongly influences the bioactivity of the PA substrates. In further improving functionality of a PA-based scaffold to effectively direct cell growth and differentiation, chapter 3 explored the use of a cell microcarrier to compartmentalize and simultaneously tune insoluble and soluble signals in a single matrix. PA nanofibers were incorporated at the surface of the microcarrier in order to promote cell adhesion, while

  18. Golf-course and funnel energy landscapes: Protein folding concepts in martensites

    Science.gov (United States)

    Shankaraiah, N.

    2017-06-01

    We use protein folding energy landscape concepts such as golf course and funnel to study re-equilibration in athermal martensites under systematic temperature quench Monte Carlo simulations. On quenching below a transition temperature, the seeded high-symmetry parent-phase austenite that converts to the low-symmetry product-phase martensite, through autocatalytic twinning or elastic photocopying, has both rapid conversions and incubation delays in the temperature-time-transformation phase diagram. We find the rapid (incubation delays) conversions at low (high) temperatures arises from the presence of large (small) size of golf-course edge that has the funnel inside for negative energy states. In the incubating state, the strain structure factor enters into the Brillouin-zone golf course through searches for finite transitional pathways which close off at the transition temperature with Vogel-Fulcher divergences that are insensitive to Hamiltonian energy scales and log-normal distributions, as signatures of dominant entropy barriers. The crossing of the entropy barrier is identified through energy occupancy distributions, Monte Carlo acceptance fractions, heat emission, and internal work.

  19. 3D-mapping optimization of embodied energy of transportation

    Energy Technology Data Exchange (ETDEWEB)

    Pearce, Joshua M.; Johnson, Sara J. [Clarion University of Pennsylvania, Physics Department, Clarion, PA 16214 (United States); Grant, Gabriel B. [Purdue University, West Lafayette, IN (United States)

    2007-08-15

    The recent development of Google Earth, an information service that provides imagery and three-dimensional data depicting the entire Earth, provides an opportunity to use a new method of navigating information to save energy in the real world. Google Earth uses Keyhole Markup Language (KML) for modeling and storing geographic features and information for display in the Google Earth Client. This paper will analyze the potential of this novel and free geographic mapping service to reduce embodied energy of transportation in two ways. First, at the consumer level, Google Earth will be studied to map the automobile route that uses the least fuel and maintains vehicle velocities at their individual maximum fuel efficiency. The same analysis for single destination trips could be used to optimize fleet vehicle routes such as garbage or recycling collection trucks. The secondary benefit of ecological education will also be explored. Fuel used could be converted into monetary units based on the current price of gas, pollution/greenhouse gas emissions, or ecological footprints to improve driving habits. Secondly, KML overlays will be analyzed for use of determining: (1) raw material and products availability as a function of location, and (2) modes of transportation as a function of emissions. These overlays would enable manufacturers access to an easily navigable method to optimize the life cycle of their products by minimizing embodied energy of transportation. The most efficient transportation methods and travel routes could be calculated. This same tool would be useful for architects to obtain Leadership in Energy and Environmental Design rating points for the green design of buildings. Overall, the analysis completed finds that the flexibility and visual display of quantitative information made available by Google Earth could have a significant impact at conserving fuel resources by reducing the embodied energy of transportation on a global scale. (author)

  20. A changing landscape: mapping provider organisations for community nursing services in England.

    Science.gov (United States)

    Spilsbury, Karen; Pender, Sue

    2015-01-01

    To scope the provision of community nursing services in England after implementation of the Transforming Community Services Programme. Over the past decade, significant UK policy initiatives have shaped the structure, organisation and responsibilities of community nursing services. Understanding these organisational changes is important in the context of organisations seeking to deliver 'care closer to home'. A systematic mapping exercise to scope and categorise community nursing service organisation provider models. There are 102 provider organisations representing a range of organisational models. Two-thirds of these organisations have structurally integrated with another NHS Trust. Smaller numbers reorganised to form community trusts or community interest companies. Only a few services have been tendered to an accredited willing provider while a small number have yet to establish their new service model. Local discretion appears to have dominated the choice of organisational form. National policies have driven the reorganisation of community nursing services and we have been able to describe, for the first time, these 'transformed' structures and organisations. Providing detail of these 'new' models of service provision, and where these have been introduced, is new information for nurse managers, policy makers and organisational leaders, as well as researchers. © 2013 John Wiley & Sons Ltd.

  1. Quantitative analysis of the publishing landscape in High-Energy Physics

    CERN Document Server

    Mele, S; Vigen, Jens; Yeomans, Joanne

    2006-01-01

    World-wide collaboration in high-energy physics (HEP) is a tradition which dates back several decades, with scientific publications mostly coauthored by scientists from different countries. This coauthorship phenomenon makes it difficult to identify precisely the "share" of each country in HEP scientific production. One year's worth of HEP scientific articles published in peer-reviewed journals is analysed and their authors are uniquely assigned to countries. This method allows the first correct estimation on a pro rata basis of the share of HEP scientific publishing among several countries and institutions. The results provide an interesting insight into the geographical collaborative patterns of the HEP community. The HEP publishing landscape is further analysed to provide information on the journals favoured by the HEP community and on the geographical variation of their author bases. These results provide quantitative input to the ongoing debate on the possible transition of HEP publishing to an Open Acce...

  2. The energy landscape of glassy dynamics on the amorphous hafnium diboride surface

    International Nuclear Information System (INIS)

    Nguyen, Duc; Girolami, Gregory S.; Mallek, Justin; Cloud, Andrew N.; Abelson, John R.; Lyding, Joseph; Gruebele, Martin

    2014-01-01

    Direct visualization of the dynamics of structural glasses and amorphous solids on the sub-nanometer scale provides rich information unavailable from bulk or conventional single molecule techniques. We study the surface of hafnium diboride, a conductive ultrahigh temperature ceramic material that can be grown in amorphous films. Our scanning tunneling movies have a second-to-hour dynamic range and single-point current measurements extend that to the millisecond-to-minute time scale. On the a-HfB 2 glass surface, two-state hopping of 1–2 nm diameter cooperatively rearranging regions or “clusters” occurs from sub-milliseconds to hours. We characterize individual clusters in detail through high-resolution (<0.5 nm) imaging, scanning tunneling spectroscopy and voltage modulation, ruling out individual atoms, diffusing adsorbates, or pinned charges as the origin of the observed two-state hopping. Smaller clusters are more likely to hop, larger ones are more likely to be immobile. HfB 2 has a very high bulk glass transition temperature T g , and we observe no three-state hopping or sequential two-state hopping previously seen on lower T g glass surfaces. The electronic density of states of clusters does not change when they hop up or down, allowing us to calibrate an accurate relative z-axis scale. By directly measuring and histogramming single cluster vertical displacements, we can reconstruct the local free energy landscape of individual clusters, complete with activation barrier height, a reaction coordinate in nanometers, and the shape of the free energy landscape basins between which hopping occurs. The experimental images are consistent with the compact shape of α-relaxors predicted by random first order transition theory, whereas the rapid hopping rate, even taking less confined motion at the surface into account, is consistent with β-relaxations. We make a proposal of how “mixed” features can show up in surface dynamics of glasses

  3. Putting Us on the Map: Remote Sensing Investigation of the Ancient Maya Landscape

    Science.gov (United States)

    Sever, Thomas L.; Saturno, William

    2004-01-01

    A common problem for archaeologists studying ancient settlement in the Maya Lowlands is overcoming the dense vegetation in order to obtain an accurate regional perspective of the presence of archaeological sites, their exact locations and their overall extents. Most often this is done by extensive ground surveys in which many individuals chop parallel paths through the vegetation in search of sites. Once a site is found an effort is made to mark its location on a regional map and to explore its perimeter. Obtaining locational information has been made dramatically easier in recent years with the advent of improved Global Positioning Systems (GPS), however the process of initial identification of sites and the determination of their borders is exceedingly labor intensive and has remained relatively unchanged since the beginning of settlement surveys in the region in the 1950 s. Currently, we are revolutionizing settlement survey in the Maya Lowlands by using remotely sensed data from IKONOS, Quickbird, and Eo 1, satellites as well as airborne AIRSAR radar data. The Ancient Maya built their cities, towns and even their smallest hamlets using excavated limestone and lime plasters. We propose that the decay of these structures provides a unique microenvironment for the growth of vegetation as the levels of moisture and nutrition within the ruins vary substantially from those in the surrounding forest. These microenvironmental differences on the ground are likewise represented by compositional differences in the forest canopy both in the species present and in leaf color (representing moisture/nutritional stress) visible through the analysis of high-resolution satellite data. In this way the detailed analysis of forest composition can reveal a detailed picture of the ancient settlements that lie beneath it. Preliminary examinations using this technique have been very successful and we are refining these techniques in order to efficiently comprehend the details of

  4. MC EMiNEM maps the interaction landscape of the Mediator.

    Directory of Open Access Journals (Sweden)

    Theresa Niederberger

    Full Text Available The Mediator is a highly conserved, large multiprotein complex that is involved essentially in the regulation of eukaryotic mRNA transcription. It acts as a general transcription factor by integrating regulatory signals from gene-specific activators or repressors to the RNA Polymerase II. The internal network of interactions between Mediator subunits that conveys these signals is largely unknown. Here, we introduce MC EMiNEM, a novel method for the retrieval of functional dependencies between proteins that have pleiotropic effects on mRNA transcription. MC EMiNEM is based on Nested Effects Models (NEMs, a class of probabilistic graphical models that extends the idea of hierarchical clustering. It combines mode-hopping Monte Carlo (MC sampling with an Expectation-Maximization (EM algorithm for NEMs to increase sensitivity compared to existing methods. A meta-analysis of four Mediator perturbation studies in Saccharomyces cerevisiae, three of which are unpublished, provides new insight into the Mediator signaling network. In addition to the known modular organization of the Mediator subunits, MC EMiNEM reveals a hierarchical ordering of its internal information flow, which is putatively transmitted through structural changes within the complex. We identify the N-terminus of Med7 as a peripheral entity, entailing only local structural changes upon perturbation, while the C-terminus of Med7 and Med19 appear to play a central role. MC EMiNEM associates Mediator subunits to most directly affected genes, which, in conjunction with gene set enrichment analysis, allows us to construct an interaction map of Mediator subunits and transcription factors.

  5. MC EMiNEM maps the interaction landscape of the Mediator.

    Science.gov (United States)

    Niederberger, Theresa; Etzold, Stefanie; Lidschreiber, Michael; Maier, Kerstin C; Martin, Dietmar E; Fröhlich, Holger; Cramer, Patrick; Tresch, Achim

    2012-01-01

    The Mediator is a highly conserved, large multiprotein complex that is involved essentially in the regulation of eukaryotic mRNA transcription. It acts as a general transcription factor by integrating regulatory signals from gene-specific activators or repressors to the RNA Polymerase II. The internal network of interactions between Mediator subunits that conveys these signals is largely unknown. Here, we introduce MC EMiNEM, a novel method for the retrieval of functional dependencies between proteins that have pleiotropic effects on mRNA transcription. MC EMiNEM is based on Nested Effects Models (NEMs), a class of probabilistic graphical models that extends the idea of hierarchical clustering. It combines mode-hopping Monte Carlo (MC) sampling with an Expectation-Maximization (EM) algorithm for NEMs to increase sensitivity compared to existing methods. A meta-analysis of four Mediator perturbation studies in Saccharomyces cerevisiae, three of which are unpublished, provides new insight into the Mediator signaling network. In addition to the known modular organization of the Mediator subunits, MC EMiNEM reveals a hierarchical ordering of its internal information flow, which is putatively transmitted through structural changes within the complex. We identify the N-terminus of Med7 as a peripheral entity, entailing only local structural changes upon perturbation, while the C-terminus of Med7 and Med19 appear to play a central role. MC EMiNEM associates Mediator subunits to most directly affected genes, which, in conjunction with gene set enrichment analysis, allows us to construct an interaction map of Mediator subunits and transcription factors.

  6. Putting us on the Map: Remote Sensing Investigation of the Ancient Maya Landscape

    Science.gov (United States)

    Sever, Thomas L.; Saturno, William; Irwin, Daniel E.

    2004-01-01

    A common problem for archaeologists studying ancient settlement in the Maya Lowlands is overcoming the dense vegetation in order to obtain an accurate regional perspective of the presence of archaeological sites, their exact locations and their overall extents. Most often this is done by extensive ground surveys in which many individuals chop parallel paths through the vegetation in search of sites. Once a site is found an effort is made to mark its location on a regional map and to explore its perimeter. Obtaining locational information has been made dramatically easier in recent years with the advent of improved Global Positioning Systems (GPS), however the process of initial identification of sites and the determination of their borders is exceedingly labor intensive and has remained relatively unchanged since the beginning of settlement surveys in the region in the 1950's. Currently, we are revolutionizing settlement survey in the Maya Lowlands by using remotely sensed data from IKONOS, Quickbird, and Eol, satellites. The Ancient Maya built their cities, towns and even their smallest hamlets using excavated limestone and lime plasters. We propose that the decay of these structures provides a unique microenvironment for the growth of vegetation as the levels of moisture and nutrition within the ruins vary substantially from those in the surrounding forest. These microenvironmental differences on the ground are likewise represented by compositional differences in the forest canopy both in the species present and in leaf color (representing moisture/nutritional stress) visible through the analysis of high- resolution satellite data. In this way the detailed analysis of forest composition can reveal a detailed picture of the ancient settlements that lie beneath it. Preliminary examinations using this technique have been very successful and we are refining these techniques in order to efficiently comprehend the details of Ancient Maya settlement in the Lowlands.

  7. It's all in the pixels: high resolution remote sensing data and the mapping and analysis of the archaeological and historical landscape

    Directory of Open Access Journals (Sweden)

    Erwin Meylemans

    2017-03-01

    Full Text Available In Flanders (Belgium a large amount of remote-sensing data has been acquired and processed over the past few years, including high-resolution lidar and multi/hyperspectral aerial photography. These new data are contributing to the detection of archaeological sites and the characterisation of the cultural/historical landscape. Of particular use in historically stable areas under forest and pasture, lidar demonstrates the presence of a large number of previously unknown features and sites. The analysis and modelling of these data, combined with other landscape data such as soil maps, augering data, geological and historical maps, and aerial photographs, also provide possible new instruments for the characterisation and evaluation of prehistoric and historic landscapes. This vast amount of new remote-sensing data, plus the information it delivers, however, presents not only obvious opportunities but also a number of challenges. A centralised online system was developed by the 'GIS-Flanders agency', storing both processed and raw data from multispectral recordings, airborne lidar, mobile mapping images etc., and presenting several download and visualisation possibilities and tools. A new system has also been set up to handle specific archaeological and cultural historical data (historical images and aerial photographs, archaeological field data. Dialogue is needed so that the preservation and management needs of the archaeological heritage are also included.

  8. Mapping the global research landscape and knowledge gaps on multimorbidity: a bibliometric study.

    Science.gov (United States)

    Xu, Xiaolin; Mishra, Gita D; Jones, Mark

    2017-06-01

    To summarize global research trends and activities on multimorbidity; then to assess the knowledge gaps and to identify implications for knowledge exchange between high income countries (HICs) and low- and middle- income countries (LMICs). A comprehensive search was conducted to identify research publications on multimorbidity in the Web of Science TM , as well as diabetes, depression, hypertension, and Chronic Obstructive Pulmonary Disease (COPD). The time frame for the search was from 1900 to June, 2016. Information (such as publication date, subject category, author, country of origin, title, abstract, and keywords) were extracted and the full texts were obtained for the co-citation analysis. Data were linked with the life expectancy at birth (years) and Gross National Income (GNI). Co-citation and hierarchal clustering analysis was used to map the trends and research networks with CiteSpace II (JAVA freeware, copyright Chaomei Chen, http://cluster.cis.drexel.edu/~cchen/citespace/). We identified 2864 relevant publications as at June 2016, with the first paper on this topic indexed in 1974 from Germany, but 80% were published after 2010. Further analysis yielded two knowledge gaps: (1) compared with single conditions (diabetes, hypertension, depression, and COPD), there is a mismatch between the high prevalence of multimorbidity and its research outputs (ratio of articles on multimorbidity vs other four single conditions is 1:13-150); (2) although a total of 76 countries have contributed to this research area, only 5% of research originated from LMICs where 73% of non-communicable disease (NCD) related deaths had occurred. Additional analysis showed the median year of first publication occurred 15 years later in the LMICs compared with HICs (2010 vs 1995); and longer life expectancy was associated with exponentially higher publication outputs (Pearson correlation coefficient r  = 0.95) at the global level. The life expectancy at the median year (1994) of

  9. Turning soil survey data into digital soil maps in the Energy Region Eger Research Model Area

    Science.gov (United States)

    Pásztor, László; Dobos, Anna; Kürti, Lívia; Takács, Katalin; Laborczi, Annamária

    2015-04-01

    Agria-Innoregion Knowledge Centre of the Eszterházy Károly College has carried out targeted basic researches in the field of renewable energy sources and climate change in the framework of TÁMOP-4.2.2.A-11/1/KONV project. The project has covered certain issues, which require the specific knowledge of the soil cover; for example: (i) investigation of quantitative and qualitative characteristics of natural and landscape resources; (ii) determination of local amount and characteristics of renewable energy sources; (iii) natural/environmental risk analysis by surveying the risk factors. The Energy Region Eger Research Model Area consists of 23 villages and is located in North-Hungary, at the Western part of Bükkalja. Bükkalja is a pediment surface with erosional valleys and dense river network. The diverse morphology of this area results diversity in soil types and soil properties as well. There was large-scale (1:10,000 and 1:25,000 scale) soil mappings in this area in the 1960's and 1970's which provided soil maps, but with reduced spatial coverage and not with fully functional thematics. To achive the recent tasks (like planning suitable/optimal land-use system, estimating biomass production and development of agricultural and ecomonic systems in terms of sustainable regional development) new survey was planned and carried out by the staff of the College. To map the soils in the study area 10 to 22 soil profiles were uncovered per settlement in 2013 and 2014. Field work was carried out according to the FAO Guidelines for Soil Description and WRB soil classification system was used for naming soils. According to the general goal of soil mapping the survey data had to be spatially extended to regionalize the collected thematic local knowledge related to soil cover. Firstly three thematic maps were compiled by digital soil mapping methods: thickness of topsoil, genetic soil type and rate of surface erosion. High resolution digital elevation model, Earth

  10. Anomalous dimensionality dependence of diffusion in a rugged energy landscape: How pathological is one dimension?

    Science.gov (United States)

    Seki, Kazuhiko; Bagchi, Kaushik; Bagchi, Biman

    2016-05-01

    Diffusion in one dimensional rugged energy landscape (REL) is predicted to be pathologically different (from any higher dimension) with a much larger chance of encountering broken ergodicity [D. L. Stein and C. M. Newman, AIP Conf. Proc. 1479, 620 (2012)]. However, no quantitative study of this difference has been reported, despite the prevalence of multidimensional physical models in the literature (like a high dimensional funnel guiding protein folding/unfolding). Paradoxically, some theoretical studies of these phenomena still employ a one dimensional diffusion description for analytical tractability. We explore the dimensionality dependent diffusion on REL by carrying out an effective medium approximation based analytical calculations and compare them with the available computer simulation results. We find that at an intermediate level of ruggedness (assumed to have a Gaussian distribution), where diffusion is well-defined, the value of the effective diffusion coefficient depends on dimensionality and changes (increases) by several factors (˜5-10) in going from 1d to 2d. In contrast, the changes in subsequent transitions (like 2d to 3d and 3d to 4d and so on) are far more modest, of the order of 10-20% only. When ruggedness is given by random traps with an exponential distribution of barrier heights, the mean square displacement (MSD) is sub-diffusive (a well-known result), but the growth of MSD is described by different exponents in one and higher dimensions. The reason for such strong ruggedness induced retardation in the case of one dimensional REL is discussed. We also discuss the special limiting case of infinite dimension (d = ∞) where the effective medium approximation becomes exact and where theoretical results become simple. We discuss, for the first time, the role of spatial correlation in the landscape on diffusion of a random walker.

  11. Tuning Surface Energy Landscapes in Metallic Quantum Films using Alkali Adsorbates

    Science.gov (United States)

    Khajetoorians, Alexander; Qin, Shengyong; Zhu, Wenguang; Eisele, Holger; Zhang, Zhenyu; Shih, Chih-Kang

    2008-03-01

    Quantum confinement shows a strong interplay with growth and kinetics in thin metal systems where the Fermi wavelength has a special relationship to the surface normal lattice constant. In the case of Pb/Si(111) systems, this relationship reveals an interesting thickness-dependent bilayer oscillation in the density of states and surface energy up to a phase. In this paper, we report on a novel effect: tuning of the energy landscape of a flat-top quantum Pb mesa using Cs adsorbates. Using STM/STS, we show that depositing Cs adsorbates on a thin Pb mesa promotes quantum stable Pb nanoislands on preferentially unstable thicknesses. Thickness-dependent nanoisland densities show a strong bilayer oscillation correlating with quantum stability. By modifying the Cs coverage on the mesa surface, we can tune the lateral size distribution of the nanoislands and the overall amplitude of the island density oscillation. Nanoisland formation is linked to a step decoration of Cs adatoms along the step edge of the nanoisland.

  12. Hybrid organic–inorganic inks flatten the energy landscape in colloidal quantum dot solids

    KAUST Repository

    Liu, Mengxia

    2016-11-14

    Bandtail states in disordered semiconductor materials result in losses in open-circuit voltage (Voc) and inhibit carrier transport in photovoltaics. For colloidal quantum dot (CQD) films that promise low-cost, large-area, air-stable photovoltaics, bandtails are determined by CQD synthetic polydispersity and inhomogeneous aggregation during the ligand-exchange process. Here we introduce a new method for the synthesis of solution-phase ligand-exchanged CQD inks that enable a flat energy landscape and an advantageously high packing density. In the solid state, these materials exhibit a sharper bandtail and reduced energy funnelling compared with the previous best CQD thin films for photovoltaics. Consequently, we demonstrate solar cells with higher Voc and more efficient charge injection into the electron acceptor, allowing the use of a closer-to-optimum bandgap to absorb more light. These enable the fabrication of CQD solar cells made via a solution-phase ligand exchange, with a certified power conversion efficiency of 11.28%. The devices are stable when stored in air, unencapsulated, for over 1,000 h.

  13. Strategies for the exploration of free energy landscapes: Unity in diversity and challenges ahead

    Directory of Open Access Journals (Sweden)

    Fabio Pietrucci

    2017-11-01

    Full Text Available Computer simulations play an important role in the study of transformation processes of condensed matter, including phase transitions, chemical reactions, and conformational changes of biomolecules. In principle, atomic trajectories, such as those generated using the molecular dynamics approach, contain detailed structural, thermodynamic, and kinetic information about activated processes. In practice, due to free energy barriers, there is often a wide gap between the time scale of the transformation and the time scale accessible with simulations. This review offers a practical guide to the ingenious methods aimed to accelerate the exploration and reconstruction of free energy landscapes of complex systems. The focus is on basic unifying concepts, successful strategies, and pitfalls, illustrated with examples of application to scientific problems from different disciplines. The current challenges in the field consist mainly in the cumbersome identification of optimal reaction coordinates and in the extensive recourse to expert human supervision and fine tuning of the algorithms. The full achievement of wide-spectrum formulations and easy reproducibility of results would constitute the breakthrough necessary to enter the era of routine use of enhanced sampling simulations.

  14. Hybrid organic–inorganic inks flatten the energy landscape in colloidal quantum dot solids

    KAUST Repository

    Liu, Mengxia; Voznyy, Oleksandr; Sabatini, Randy; Arquer, F.  Pelayo Garcí a de; Munir, Rahim; Balawi, Ahmed  Hesham; Lan, Xinzheng; Fan, Fengjia; Walters, Grant; Kirmani, Ahmad R.; Hoogland, Sjoerd; Laquai, Fré dé ric; Amassian, Aram; Sargent, Edward  H.

    2016-01-01

    Bandtail states in disordered semiconductor materials result in losses in open-circuit voltage (Voc) and inhibit carrier transport in photovoltaics. For colloidal quantum dot (CQD) films that promise low-cost, large-area, air-stable photovoltaics, bandtails are determined by CQD synthetic polydispersity and inhomogeneous aggregation during the ligand-exchange process. Here we introduce a new method for the synthesis of solution-phase ligand-exchanged CQD inks that enable a flat energy landscape and an advantageously high packing density. In the solid state, these materials exhibit a sharper bandtail and reduced energy funnelling compared with the previous best CQD thin films for photovoltaics. Consequently, we demonstrate solar cells with higher Voc and more efficient charge injection into the electron acceptor, allowing the use of a closer-to-optimum bandgap to absorb more light. These enable the fabrication of CQD solar cells made via a solution-phase ligand exchange, with a certified power conversion efficiency of 11.28%. The devices are stable when stored in air, unencapsulated, for over 1,000 h.

  15. Nonequilibrium landscape theory of neural networks

    Science.gov (United States)

    Yan, Han; Zhao, Lei; Hu, Liang; Wang, Xidi; Wang, Erkang; Wang, Jin

    2013-01-01

    The brain map project aims to map out the neuron connections of the human brain. Even with all of the wirings mapped out, the global and physical understandings of the function and behavior are still challenging. Hopfield quantified the learning and memory process of symmetrically connected neural networks globally through equilibrium energy. The energy basins of attractions represent memories, and the memory retrieval dynamics is determined by the energy gradient. However, the realistic neural networks are asymmetrically connected, and oscillations cannot emerge from symmetric neural networks. Here, we developed a nonequilibrium landscape–flux theory for realistic asymmetrically connected neural networks. We uncovered the underlying potential landscape and the associated Lyapunov function for quantifying the global stability and function. We found the dynamics and oscillations in human brains responsible for cognitive processes and physiological rhythm regulations are determined not only by the landscape gradient but also by the flux. We found that the flux is closely related to the degrees of the asymmetric connections in neural networks and is the origin of the neural oscillations. The neural oscillation landscape shows a closed-ring attractor topology. The landscape gradient attracts the network down to the ring. The flux is responsible for coherent oscillations on the ring. We suggest the flux may provide the driving force for associations among memories. We applied our theory to rapid-eye movement sleep cycle. We identified the key regulation factors for function through global sensitivity analysis of landscape topography against wirings, which are in good agreements with experiments. PMID:24145451

  16. Probing the energy landscape of alanine dipeptide and decalanine using temperature as a tunable parameter in molecular dynamics

    International Nuclear Information System (INIS)

    Chatterjee, A; Bhattacharya, S

    2016-01-01

    We perform several molecular dynamics (MD) calculations of solvated alanine dipeptide and decalanine in vacuum with temperature as a tunable parameter and in the process, generate Markov state models (MSMs) at each temperature. An interesting observation that the kinetic rates appear to obey the Arrhenius rate law allows us to predict the dynamics of alanine dipeptide at 300 K at the microsecond timescales using the nanoseconds long high temperature calculations without actually performing MD simulations at 300 K. We conclude that the energy landscape of alanine dipeptide contains superbasins deeper than k B T and determine the energy barriers associated with the moves from the Arrhenius rate expression. Similar insights regarding the energy landscape associated with folding/unfolding pathways of a deca-alanine molecule are obtained using kinetic rates calculated at different temperatures. (paper)

  17. Mapping the Integrity Landscape

    DEFF Research Database (Denmark)

    Douglas-Jones, Rachel; Wright, Susan

    2017-01-01

    they define or discuss ‘integrity’, and the other concepts and issues they link with that word. The account identifies key events and key moments that were formative for different strands of the term’s meaning, and some of the key actors involved. It makes regular links to the Danish research and policy...

  18. Free energy landscape and multiple folding pathways of an H-type RNA pseudoknot.

    Directory of Open Access Journals (Sweden)

    Yunqiang Bian

    Full Text Available How RNA sequences fold to specific tertiary structures is one of the key problems for understanding their dynamics and functions. Here, we study the folding process of an H-type RNA pseudoknot by performing a large-scale all-atom MD simulation and bias-exchange metadynamics. The folding free energy landscapes are obtained and several folding intermediates are identified. It is suggested that the folding occurs via multiple mechanisms, including a step-wise mechanism starting either from the first helix or the second, and a cooperative mechanism with both helices forming simultaneously. Despite of the multiple mechanism nature, the ensemble folding kinetics estimated from a Markov state model is single-exponential. It is also found that the correlation between folding and binding of metal ions is significant, and the bound ions mediate long-range interactions in the intermediate structures. Non-native interactions are found to be dominant in the unfolded state and also present in some intermediates, possibly hinder the folding process of the RNA.

  19. Alaska High School Students Integrate Forest Ecology, Glacial Landscape Dynamics, and Human Maritime History in a Field Mapping Course at Cape Decision Lighthouse, Kuiu Island, Southeast Alaska

    Science.gov (United States)

    Connor, C. L.; Carstensen, R.; Domke, L.; Donohoe, S.; Clark, A.; Cordero, D.; Otsea, C.; Hakala, M.; Parks, R.; Lanwermeyer, S.; Discover Design Research (Ddr)

    2010-12-01

    Alaskan 10th and 11th graders earned college credit at Cape Decision Lighthouse as part of a 12-day, summer field research experience. Students and faculty flew to the southern tip of Kuiu Island located 388 km south of Juneau. Kuiu is the largest uninhabited island in southeastern Alaska. This field-based, introduction-to-research course was designed to engage students in the sciences and give them skills in technology, engineering, and mathematics. Two faculty, a forest naturalist and a geologist, introduced the students to the use of hand held GPS receivers, GIS map making, field note-taking and documentary photography, increment borer use, and soil studies techniques. Daily surveys across the region, provided onsite opportunities for the faculty to introduce the high schoolers to the many dimensions of forest ecology and plant succession. Students collected tree cores using increment borers to determine “release dates” providing clues to past wind disturbance. They discovered the influence of landscape change on the forest by digging soil pits and through guided interpretation of bedrock outcrops. The students learned about glacially influenced hydrology in forested wetlands during peat bog hikes. They developed an eye for geomorphic features along coastal traverses, which helped them to understand the influences of uplift through faulting and isostatic rebound in this tectonically active and once glaciated area. They surveyed forest patches to distinguish between regions of declining yellow-cedar from wind-disturbed spruce forests. The students encountered large volumes of primarily plastic marine debris, now stratified by density and wave energy, throughout the southern Kuiu intertidal zone. They traced pre-European Alaska Native subsistence use of the area, 19th and 20th century Alaska Territorial Maritime history, and learned about the 21st century radio tracking of over 10,000 commercial vessels by the Marine Exchange of Alaska from its many stations

  20. Experimental conformational energy maps of proteins and peptides.

    Science.gov (United States)

    Balaji, Govardhan A; Nagendra, H G; Balaji, Vitukudi N; Rao, Shashidhar N

    2017-06-01

    We have presented an extensive analysis of the peptide backbone dihedral angles in the PDB structures and computed experimental Ramachandran plots for their distributions seen under a various constraints on X-ray resolution, representativeness at different sequence identity percentages, and hydrogen bonding distances. These experimental distributions have been converted into isoenergy contour plots using the approach employed previously by F. M. Pohl. This has led to the identification of energetically favored minima in the Ramachandran (ϕ, ψ) plots in which global minima are predominantly observed either in the right-handed α-helical or the polyproline II regions. Further, we have identified low energy pathways for transitions between various minima in the (ϕ,ψ) plots. We have compared and presented the experimental plots with published theoretical plots obtained from both molecular mechanics and quantum mechanical approaches. In addition, we have developed and employed a root mean square deviation (RMSD) metric for isoenergy contours in various ranges, as a measure (in kcal.mol -1 ) to compare any two plots and determine the extent of correlation and similarity between their isoenergy contours. In general, we observe a greater degree of compatibility with experimental plots for energy maps obtained from molecular mechanics methods compared to most quantum mechanical methods. The experimental energy plots we have investigated could be helpful in refining protein structures obtained from X-ray, NMR, and electron microscopy and in refining force field parameters to enable simulations of peptide and protein structures that have higher degree of consistency with experiments. Proteins 2017; 85:979-1001. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  1. Cowichan Valley energy mapping and modelling. Report 1 - GIS mapping of potential renewable energy resources in the CVRD. Final report. [Vancouver Island, Canada

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2012-06-15

    The driving force behind the Integrated Energy Mapping and Analysis project was the identification and analysis of a suite of pathways that the Cowichan Valley Regional District (CVRD) can utilise to increase its energy resilience, as well as reduce energy consumption and GHG emissions, with a primary focus on the residential sector. Mapping and analysis undertaken will support provincial energy and GHG reduction targets, and the suite of pathways outlined will address a CVRD internal target that calls for 75% of the region's energy within the residential sector to come from locally sourced renewables by 2050. The target has been developed as a mechanism to meet resilience and climate action target. The maps and findings produced are to be integrated as part of a regional policy framework currently under development. The first task in the project was the production of a series of thematic GIS maps and associated databases of potential renewable energy resources in the CVRD. The renewable energy sources mapped were solar, wind, micro hydro, and biomass (residues and waste). Other sources were also discussed (e.g. geothermal heat) but not mapped due to lack of spatially explicit input data. The task 1 findings are detailed in this report. (LN)

  2. Machine learning for the structure-energy-property landscapes of molecular crystals.

    Science.gov (United States)

    Musil, Félix; De, Sandip; Yang, Jack; Campbell, Joshua E; Day, Graeme M; Ceriotti, Michele

    2018-02-07

    Molecular crystals play an important role in several fields of science and technology. They frequently crystallize in different polymorphs with substantially different physical properties. To help guide the synthesis of candidate materials, atomic-scale modelling can be used to enumerate the stable polymorphs and to predict their properties, as well as to propose heuristic rules to rationalize the correlations between crystal structure and materials properties. Here we show how a recently-developed machine-learning (ML) framework can be used to achieve inexpensive and accurate predictions of the stability and properties of polymorphs, and a data-driven classification that is less biased and more flexible than typical heuristic rules. We discuss, as examples, the lattice energy and property landscapes of pentacene and two azapentacene isomers that are of interest as organic semiconductor materials. We show that we can estimate force field or DFT lattice energies with sub-kJ mol -1 accuracy, using only a few hundred reference configurations, and reduce by a factor of ten the computational effort needed to predict charge mobility in the crystal structures. The automatic structural classification of the polymorphs reveals a more detailed picture of molecular packing than that provided by conventional heuristics, and helps disentangle the role of hydrogen bonded and π-stacking interactions in determining molecular self-assembly. This observation demonstrates that ML is not just a black-box scheme to interpolate between reference calculations, but can also be used as a tool to gain intuitive insights into structure-property relations in molecular crystal engineering.

  3. Strong field-matching effects in superconducting YBa2Cu3O7-δ films with vortex energy landscapes engineered via masked ion irradiation

    Science.gov (United States)

    Swiecicki, I.; Ulysse, C.; Wolf, T.; Bernard, R.; Bergeal, N.; Briatico, J.; Faini, G.; Lesueur, J.; Villegas, Javier E.

    2012-06-01

    We have developed a masked ion irradiation technique to engineer the energy landscape for vortices in oxide superconductors. This approach associates the possibility to design the landscape geometry at the nanoscale with the unique capability to adjust the depth of the energy wells for vortices. This enabled us to unveil the key role of vortex channeling in modulating the amplitude of the field matching effects with the artificial energy landscape, and to make the latter govern flux dynamics over an unusually wide range of temperatures and applied fields for high-temperature superconducting films.

  4. Efficient Determination of Free Energy Landscapes in Multiple Dimensions from Biased Umbrella Sampling Simulations Using Linear Regression.

    Science.gov (United States)

    Meng, Yilin; Roux, Benoît

    2015-08-11

    The weighted histogram analysis method (WHAM) is a standard protocol for postprocessing the information from biased umbrella sampling simulations to construct the potential of mean force with respect to a set of order parameters. By virtue of the WHAM equations, the unbiased density of state is determined by satisfying a self-consistent condition through an iterative procedure. While the method works very effectively when the number of order parameters is small, its computational cost grows rapidly in higher dimension. Here, we present a simple and efficient alternative strategy, which avoids solving the self-consistent WHAM equations iteratively. An efficient multivariate linear regression framework is utilized to link the biased probability densities of individual umbrella windows and yield an unbiased global free energy landscape in the space of order parameters. It is demonstrated with practical examples that free energy landscapes that are comparable in accuracy to WHAM can be generated at a small fraction of the cost.

  5. Enhanced, targeted sampling of high-dimensional free-energy landscapes using variationally enhanced sampling, with an application to chignolin.

    Science.gov (United States)

    Shaffer, Patrick; Valsson, Omar; Parrinello, Michele

    2016-02-02

    The capabilities of molecular simulations have been greatly extended by a number of widely used enhanced sampling methods that facilitate escaping from metastable states and crossing large barriers. Despite these developments there are still many problems which remain out of reach for these methods which has led to a vigorous effort in this area. One of the most important problems that remains unsolved is sampling high-dimensional free-energy landscapes and systems that are not easily described by a small number of collective variables. In this work we demonstrate a new way to compute free-energy landscapes of high dimensionality based on the previously introduced variationally enhanced sampling, and we apply it to the miniprotein chignolin.

  6. Enhanced, targeted sampling of high-dimensional free-energy landscapes using variationally enhanced sampling, with an application to chignolin

    Science.gov (United States)

    Shaffer, Patrick; Valsson, Omar; Parrinello, Michele

    2016-01-01

    The capabilities of molecular simulations have been greatly extended by a number of widely used enhanced sampling methods that facilitate escaping from metastable states and crossing large barriers. Despite these developments there are still many problems which remain out of reach for these methods which has led to a vigorous effort in this area. One of the most important problems that remains unsolved is sampling high-dimensional free-energy landscapes and systems that are not easily described by a small number of collective variables. In this work we demonstrate a new way to compute free-energy landscapes of high dimensionality based on the previously introduced variationally enhanced sampling, and we apply it to the miniprotein chignolin. PMID:26787868

  7. Gentlest ascent dynamics for calculating first excited state and exploring energy landscape of Kohn-Sham density functionals.

    Science.gov (United States)

    Li, Chen; Lu, Jianfeng; Yang, Weitao

    2015-12-14

    We develop the gentlest ascent dynamics for Kohn-Sham density functional theory to search for the index-1 saddle points on the energy landscape of the Kohn-Sham density functionals. These stationary solutions correspond to excited states in the ground state functionals. As shown by various examples, the first excited states of many chemical systems are given by these index-1 saddle points. Our novel approach provides an alternative, more robust way to obtain these excited states, compared with the widely used ΔSCF approach. The method can be easily generalized to target higher index saddle points. Our results also reveal the physical interest and relevance of studying the Kohn-Sham energy landscape.

  8. Energy landscape, structure and rate effects on strength properties of alpha-helical proteins

    International Nuclear Information System (INIS)

    Bertaud, Jeremie; Hester, Joshua; Jimenez, Daniel D; Buehler, Markus J

    2010-01-01

    The strength of protein domains is crucial to identify the mechanical role of protein domains in biological processes such as mechanotransduction, tissue mechanics and tissue remodeling. Whereas the concept of strength has been widely investigated for engineered materials, the strength of fundamental protein material building blocks and how it depends on structural parameters such as the chemical bonding, the protein filament length and the timescale of observation or deformation velocity remains poorly understood. Here we report a systematic analysis of the influence of key parameters that define the energy landscape of the strength properties of alpha-helical protein domains, including energy barriers, unfolding and refolding distances, the locations of folded and unfolded states, as well as variations of the length and pulling velocity of alpha-helical protein filaments. The analysis is facilitated by the development of a double-well mesoscale potential formulation, utilized here to carry out a systematic numerical analysis of the behavior of alpha-helices. We compare the results against widely used protein strength models based on the Bell model, one of the simplest models used to characterize the strength of protein filaments. We find that, whereas Bell-type models are a reasonable approximation to describe the rupture of alpha-helical protein domains for a certain range of pulling speeds and values of energy barriers, the model ceases to hold for very large energy barriers and for very small pulling speeds, in agreement with earlier findings. We conclude with an application of our mesoscale model to investigate the effect of the length of alpha-helices on their mechanical strength. We find a weakening effect as the length of alpha-helical proteins increases, followed by an asymptotic regime in which the strength remains constant. We compare strand lengths found in biological proteins with the scaling law of strength versus alpha-helix filament length. The

  9. America's Changing Energy Landscape - USGS National Coal Resources Data System Changes to National Energy Resources Data System.

    Science.gov (United States)

    East, J. A., II

    2016-12-01

    The U.S. Geological Survey's (USGS) Eastern Energy Resources Science Center (EERSC) has an ongoing project which has mapped coal chemistry and stratigraphy since 1977. Over the years, the USGS has collected various forms of coal data and archived that data into the National Coal Resources Data System (NCRDS) database. NCRDS is a repository that houses data from the major coal basins in the United States and includes information on location, seam thickness, coal rank, geologic age, geographic region, geologic province, coalfield, and characteristics of the coal or lithology for that data point. These data points can be linked to the US Coal Quality Database (COALQUAL) to include ultimate, proximate, major, minor and trace-element data. Although coal is an inexpensive energy provider, the United States has shifted away from coal usage recently and branched out into other forms of non-renewable and renewable energy because of environmental concerns. NCRDS's primary method of data capture has been USGS field work coupled with cooperative agreements with state geological agencies and universities doing coal-related research. These agreements are on competitive five-year cycles that have evolved into larger scope research efforts including solid fuel resources such as coal-bed methane, shale gas and oil. Recently these efforts have expanded to include environmental impacts of the use of fossil fuels, which has allowed the USGS to enter into agreements with states for the Geologic CO2 Storage Resources Assessment as required by the Energy Independence and Security Act. In 2016 they expanded into research areas to include geothermal, conventional and unconventional oil and gas. The NCRDS and COALQUAL databases are now online for the public to use, and are in the process of being updated to include new data for other energy resources. Along with this expansion of scope, the database name will change to the National Energy Resources Data System (NERDS) in FY 2017.

  10. Statistical topography of fitness landscapes

    OpenAIRE

    Franke, Jasper

    2011-01-01

    Fitness landscapes are generalized energy landscapes that play an important conceptual role in evolutionary biology. These landscapes provide a relation between the genetic configuration of an organism and that organism’s adaptive properties. In this work, global topographical features of these fitness landscapes are investigated using theoretical models. The resulting predictions are compared to empirical landscapes. It is shown that these landscapes allow, at least with respe...

  11. The effect of tensile stress on the conformational free energy landscape of disulfide bonds.

    Directory of Open Access Journals (Sweden)

    Padmesh Anjukandi

    Full Text Available Disulfide bridges are no longer considered to merely stabilize protein structure, but are increasingly recognized to play a functional role in many regulatory biomolecular processes. Recent studies have uncovered that the redox activity of native disulfides depends on their C-C-S-S dihedrals, χ2 and χ'2. Moreover, the interplay of chemical reactivity and mechanical stress of disulfide switches has been recently elucidated using force-clamp spectroscopy and computer simulation. The χ2 and χ'2 angles have been found to change from conformations that are open to nucleophilic attack to sterically hindered, so-called closed states upon exerting tensile stress. In view of the growing evidence of the importance of C-C-S-S dihedrals in tuning the reactivity of disulfides, here we present a systematic study of the conformational diversity of disulfides as a function of tensile stress. With the help of force-clamp metadynamics simulations, we show that tensile stress brings about a large stabilization of the closed conformers, thereby giving rise to drastic changes in the conformational free energy landscape of disulfides. Statistical analysis shows that native TDi, DO and interchain Ig protein disulfides prefer open conformations, whereas the intrachain disulfide bridges in Ig proteins favor closed conformations. Correlating mechanical stress with the distance between the two a-carbons of the disulfide moiety reveals that the strain of intrachain Ig protein disulfides corresponds to a mechanical activation of about 100 pN. Such mechanical activation leads to a severalfold increase of the rate of the elementary redox S(N2 reaction step. All these findings constitute a step forward towards achieving a full understanding of functional disulfides.

  12. Local discrepancies in continental scale biomass maps: a case study over forested and non-forested landscapes in Maryland, USA

    Science.gov (United States)

    Wenli Huang; Anu Swatantran; Kristofer Johnson; Laura Duncanson; Hao Tang; Jarlath O' Neil Dunne; George Hurtt; Ralph Dubayah

    2015-01-01

    Continental-scale aboveground biomass maps are increasingly available, but their estimates vary widely, particularly at high resolution. A comprehensive understanding of map discrepancies is required to improve their effectiveness in carbon accounting and local decision-making. To this end, we compare four continental-scale maps with a recent high-resolution lidar-...

  13. High spatial resolution WorldView-2 imagery for mapping NDVI and its relationship to temporal urban landscape evapotranspiration factors

    Science.gov (United States)

    Nouri, Hamideh; Beecham, Simon; Anderson, Sharolyn; Nagler, Pamela

    2014-01-01

    Evapotranspiration estimation has benefitted from recent advances in remote sensing and GIS techniques particularly in agricultural applications rather than urban environments. This paper explores the relationship between urban vegetation evapotranspiration (ET) and vegetation indices derived from newly-developed high spatial resolution WorldView-2 imagery. The study site was Veale Gardens in Adelaide, Australia. Image processing was applied on five images captured from February 2012 to February 2013 using ERDAS Imagine. From 64 possible two band combinations of WorldView-2, the most reliable one (with the maximum median differences) was selected. Normalized Difference Vegetation Index (NDVI) values were derived for each category of landscape cover, namely trees, shrubs, turf grasses, impervious pavements, and water bodies. Urban landscape evapotranspiration rates for Veale Gardens were estimated through field monitoring using observational-based landscape coefficients. The relationships between remotely sensed NDVIs for the entire Veale Gardens and for individual NDVIs of different vegetation covers were compared with field measured urban landscape evapotranspiration rates. The water stress conditions experienced in January 2013 decreased the correlation between ET and NDVI with the highest relationship of ET-Landscape NDVI (Landscape Normalized Difference Vegetation Index) for shrubs (r2 = 0.66) and trees (r2 = 0.63). However, when the January data was excluded, there was a significant correlation between ET and NDVI. The highest correlation for ET-Landscape NDVI was found for the entire Veale Gardens regardless of vegetation type (r2 = 0.95, p > 0.05) and the lowest one was for turf (r2 = 0.88, p > 0.05). In support of the feasibility of ET estimation by WV2 over a longer period, an algorithm recently developed that estimates evapotranspiration rates based on the Enhanced Vegetation Index (EVI) from MODIS was employed. The results revealed a significant positive

  14. High Spatial Resolution WorldView-2 Imagery for Mapping NDVI and Its Relationship to Temporal Urban Landscape Evapotranspiration Factors

    Directory of Open Access Journals (Sweden)

    Hamideh Nouri

    2014-01-01

    Full Text Available Evapotranspiration estimation has benefitted from recent advances in remote sensing and GIS techniques particularly in agricultural applications rather than urban environments. This paper explores the relationship between urban vegetation evapotranspiration (ET and vegetation indices derived from newly-developed high spatial resolution WorldView-2 imagery. The study site was Veale Gardens in Adelaide, Australia. Image processing was applied on five images captured from February 2012 to February 2013 using ERDAS Imagine. From 64 possible two band combinations of WorldView-2, the most reliable one (with the maximum median differences was selected. Normalized Difference Vegetation Index (NDVI values were derived for each category of landscape cover, namely trees, shrubs, turf grasses, impervious pavements, and water bodies. Urban landscape evapotranspiration rates for Veale Gardens were estimated through field monitoring using observational-based landscape coefficients. The relationships between remotely sensed NDVIs for the entire Veale Gardens and for individual NDVIs of different vegetation covers were compared with field measured urban landscape evapotranspiration rates. The water stress conditions experienced in January 2013 decreased the correlation between ET and NDVI with the highest relationship of ET-Landscape NDVI (Landscape Normalized Difference Vegetation Index for shrubs (r2 = 0.66 and trees (r2 = 0.63. However, when the January data was excluded, there was a significant correlation between ET and NDVI. The highest correlation for ET-Landscape NDVI was found for the entire Veale Gardens regardless of vegetation type (r2 = 0.95, p > 0.05 and the lowest one was for turf (r2 = 0.88, p > 0.05. In support of the feasibility of ET estimation by WV2 over a longer period, an algorithm recently developed that estimates evapotranspiration rates based on the Enhanced Vegetation Index (EVI from MODIS was employed. The results revealed a

  15. Mapping multi-scale vascular plant richness in a forest landscape with integrated LiDAR and hyperspectral remote-sensing.

    Science.gov (United States)

    Hakkenberg, C R; Zhu, K; Peet, R K; Song, C

    2018-02-01

    The central role of floristic diversity in maintaining habitat integrity and ecosystem function has propelled efforts to map and monitor its distribution across forest landscapes. While biodiversity studies have traditionally relied largely on ground-based observations, the immensity of the task of generating accurate, repeatable, and spatially-continuous data on biodiversity patterns at large scales has stimulated the development of remote-sensing methods for scaling up from field plot measurements. One such approach is through integrated LiDAR and hyperspectral remote-sensing. However, despite their efficiencies in cost and effort, LiDAR-hyperspectral sensors are still highly constrained in structurally- and taxonomically-heterogeneous forests - especially when species' cover is smaller than the image resolution, intertwined with neighboring taxa, or otherwise obscured by overlapping canopy strata. In light of these challenges, this study goes beyond the remote characterization of upper canopy diversity to instead model total vascular plant species richness in a continuous-cover North Carolina Piedmont forest landscape. We focus on two related, but parallel, tasks. First, we demonstrate an application of predictive biodiversity mapping, using nonparametric models trained with spatially-nested field plots and aerial LiDAR-hyperspectral data, to predict spatially-explicit landscape patterns in floristic diversity across seven spatial scales between 0.01-900 m 2 . Second, we employ bivariate parametric models to test the significance of individual, remotely-sensed predictors of plant richness to determine how parameter estimates vary with scale. Cross-validated results indicate that predictive models were able to account for 15-70% of variance in plant richness, with LiDAR-derived estimates of topography and forest structural complexity, as well as spectral variance in hyperspectral imagery explaining the largest portion of variance in diversity levels. Importantly

  16. ITER and the road map towards fusion energy

    International Nuclear Information System (INIS)

    Tran, M.Q.

    2005-01-01

    Outlined is a fusion as a sustainable energy, the conditions and challenges for the realisation of fusion energy. Given is electricity generating power plant conceptual study and the rule of fusion energy in future energy scenarios

  17. Mapping recreation and aesthetic values of ecosystem services in the Bilbao Metropolitan Greenbelt (northern Spain) to support landscape planning

    NARCIS (Netherlands)

    Casado-Arzuaga, I.; Onaindia, M.; Madriaga, I.; Verburg, P.H.

    2014-01-01

    This paper presents a method to quantify cultural ecosystem services (ES) and their spatial distribution in the landscape based on ecological structure and social evaluation approaches. The method aims to provide quantified assessments of ES to support land use planning decisions. A GIS-based

  18. Mapping social values for urban green spaces using Public Participation GIS: the influence of spatial scale and implications for landscape planning.

    Science.gov (United States)

    Ives, Christopher

    2015-04-01

    Measuring social values for landscapes is an emerging field of research and is critical to the successful management of urban ecosystems. Green open space planning has traditionally relied on rigid standards and metrics without considering the physical requirements of green spaces that are valued for different reasons and by different people. Relating social landscape values to key environmental variables provides a much stronger evidence base for planning landscapes that are both socially desirable and environmentally sustainable. This study spatially quantified residents' values for green space in the Lower Hunter Valley of New South Wales, Australia by enabling participants to mark their values for specific open spaces on interactive paper maps. The survey instrument was designed to evaluate the effect of spatial scale by providing maps of residents' local area at both suburb and municipality scales. The importance of open space values differed depending on whether they were indicated via marker dots or reported on in a general aspatial sense. This suggests that certain open space functions were inadequately provided for in the local area (specifically, cultural significance and health/therapeutic value). Additionally, all value types recorded a greater abundance of marker dots at the finer (suburb) scale compared to the coarser (municipality) scale, but this pattern was more pronounced for some values than others (e.g. physical exercise value). Finally, significant relationships were observed between the abundance of value marker dots in parks and their environmental characteristics (e.g. percentage of vegetation). These results have interesting implications when considering the compatibility between different functions of green spaces and how planners can incorporate information about social values with more traditional approaches to green space planning.

  19. Mapping large-area landscape suitability for honey bees to assess the influence of land-use change on sustainability of national pollination services

    Science.gov (United States)

    Gallant, Alisa L.; Euliss, Ned H.; Browning, Zac

    2014-01-01

    Pollination is a critical ecosystem service affected by various drivers of land-use change, such as policies and programs aimed at land resources, market values for crop commodities, local land-management decisions, and shifts in climate. The United States is the world's most active market for pollination services by honey bees, and the Northern Great Plains provide the majority of bee colonies used to meet the Nation's annual pollination needs. Legislation requiring increased production of biofuel crops, increasing commodity prices for crops of little nutritional value for bees in the Northern Great Plains, and reductions in government programs aimed at promoting land conservation are converging to alter the regional landscape in ways that challenge beekeepers to provide adequate numbers of hives for national pollination services. We developed a spatially explicit model that identifies sites with the potential to support large apiaries based on local-scale land-cover requirements for honey bees. We produced maps of potential apiary locations for North Dakota, a leading producer of honey, based on land-cover maps representing (1) an annual time series compiled from existing operational products and (2) a realistic scenario of land change. We found that existing land-cover products lack sufficient local accuracy to monitor actual changes in landscape suitability for honey bees, but our model proved informative for evaluating effects on suitability under scenarios of land change. The scenario we implemented was aligned with current drivers of land-use change in the Northern Great Plains and highlighted the importance of conservation lands in landscapes intensively and extensively managed for crops.

  20. From Extraction of Local Structures of Protein Energy Landscapes to Improved Decoy Selection in Template-Free Protein Structure Prediction.

    Science.gov (United States)

    Akhter, Nasrin; Shehu, Amarda

    2018-01-19

    Due to the essential role that the three-dimensional conformation of a protein plays in regulating interactions with molecular partners, wet and dry laboratories seek biologically-active conformations of a protein to decode its function. Computational approaches are gaining prominence due to the labor and cost demands of wet laboratory investigations. Template-free methods can now compute thousands of conformations known as decoys, but selecting native conformations from the generated decoys remains challenging. Repeatedly, research has shown that the protein energy functions whose minima are sought in the generation of decoys are unreliable indicators of nativeness. The prevalent approach ignores energy altogether and clusters decoys by conformational similarity. Complementary recent efforts design protein-specific scoring functions or train machine learning models on labeled decoys. In this paper, we show that an informative consideration of energy can be carried out under the energy landscape view. Specifically, we leverage local structures known as basins in the energy landscape probed by a template-free method. We propose and compare various strategies of basin-based decoy selection that we demonstrate are superior to clustering-based strategies. The presented results point to further directions of research for improving decoy selection, including the ability to properly consider the multiplicity of native conformations of proteins.

  1. From Extraction of Local Structures of Protein Energy Landscapes to Improved Decoy Selection in Template-Free Protein Structure Prediction

    Directory of Open Access Journals (Sweden)

    Nasrin Akhter

    2018-01-01

    Full Text Available Due to the essential role that the three-dimensional conformation of a protein plays in regulating interactions with molecular partners, wet and dry laboratories seek biologically-active conformations of a protein to decode its function. Computational approaches are gaining prominence due to the labor and cost demands of wet laboratory investigations. Template-free methods can now compute thousands of conformations known as decoys, but selecting native conformations from the generated decoys remains challenging. Repeatedly, research has shown that the protein energy functions whose minima are sought in the generation of decoys are unreliable indicators of nativeness. The prevalent approach ignores energy altogether and clusters decoys by conformational similarity. Complementary recent efforts design protein-specific scoring functions or train machine learning models on labeled decoys. In this paper, we show that an informative consideration of energy can be carried out under the energy landscape view. Specifically, we leverage local structures known as basins in the energy landscape probed by a template-free method. We propose and compare various strategies of basin-based decoy selection that we demonstrate are superior to clustering-based strategies. The presented results point to further directions of research for improving decoy selection, including the ability to properly consider the multiplicity of native conformations of proteins.

  2. The place of digital technology on the IEA's energy road-maps

    International Nuclear Information System (INIS)

    Ben-Naceur, Kamel

    2017-01-01

    The International Energy Agency (IEA) has drafted road-maps for the next four decades in collaboration with public and private producers and consumers of energy. For each type of energy, these road-maps indicate the key elements for compliance with the objectives of the Paris Climate Agreement. They emphasize the role of digital technology, in particular smart grids, in the transition toward a more digital and more intelligent energy system. The conditions necessary for successfully transforming this sector are mapped out, while attention is called to the risks inherent in this transition

  3. Modeling long-term changes in forested landscapes and their relation to the Earth's energy balance

    Science.gov (United States)

    Shugart, H. H.; Emanuel, W. R.; Solomon, A. M.

    1984-01-01

    The dynamics of the forested parts of the Earth's surface on time scales from decades to centuries are discussed. A set of computer models developed at Oak Ridge National Laboratory and elsewhere are applied as tools. These models simulate a landscape by duplicating the dynamics of growth, death and birth of each tree living on a 0.10 ha element of the landscape. This spatial unit is generally referred to as a gap in the case of the forest models. The models were tested against and applied to a diverse array of forests and appear to provide a reasonable representation for investigating forest-cover dynamics. Because of the climate linkage, one important test is the reconstruction of paleo-landscapes. Detailed reconstructions of changes in vegetation in response to changes in climate are crucial to understanding the association of the Earth's vegetation and climate and the response of the vegetation to climate change.

  4. Methodology to produce a water and energy stream map (WESM in the South African manufacturing industry

    Directory of Open Access Journals (Sweden)

    Davies, Edward

    2016-11-01

    Full Text Available The increasing demand for water and energy in South Africa, and the capacity constraints and restrictions of both resources, have led to a rapid increase in their cost. The manufacturing industry remains South Africa’s third-largest consumer of water and second- largest consumer of national energy. The improvement of water and energy efficiency is becoming an increasingly important theme for both organisational success and national economic sustainability. This paper presents the ‘lean based water and energy stream mapping framework’ developed for the manufacturing industry, with the specific objective of decreasing its water and energy intensity. As with the traditional value stream mapping tool, the water and energy stream mapping focuses on eliminating water- and energy-specific wastes within a process. Water and energy waste categories that will be used in conjunction with the framework will also be discussed. The key objective of this paper is to detail the process of creating the water and energy stream mapping, and the statistical forecasting methodology used to develop the baseline water and energy demand data. The outcome of the implementation of the framework is the future state water and energy stream mapping, which is effectively a blueprint for increased water and energy efficiency within a studied process.

  5. The inherent dynamics of a molecular liquid: Geodesic pathways through the potential energy landscape of a liquid of linear molecules

    Science.gov (United States)

    Jacobson, Daniel; Stratt, Richard M.

    2014-05-01

    Because the geodesic pathways that a liquid follows through its potential energy landscape govern its slow, diffusive motion, we suggest that these pathways are logical candidates for the title of a liquid's "inherent dynamics." Like their namesake "inherent structures," these objects are simply features of the system's potential energy surface and thus provide views of the system's structural evolution unobstructed by thermal kinetic energy. This paper shows how these geodesic pathways can be computed for a liquid of linear molecules, allowing us to see precisely how such molecular liquids mix rotational and translational degrees of freedom into their dynamics. The ratio of translational to rotational components of the geodesic path lengths, for example, is significantly larger than would be expected on equipartition grounds, with a value that scales with the molecular aspect ratio. These and other features of the geodesics are consistent with a picture in which molecular reorientation adiabatically follows translation—molecules largely thread their way through narrow channels available in the potential energy landscape.

  6. Soil organic carbon content assessment in a heterogeneous landscape: comparison of digital soil mapping and visible and near Infrared spectroscopy approaches

    Science.gov (United States)

    Michot, Didier; Fouad, Youssef; Pascal, Pichelin; Viaud, Valérie; Soltani, Inès; Walter, Christian

    2017-04-01

    This study aims are: i) to assess SOC content distribution according to the global soil map (GSM) project recommendations in a heterogeneous landscape ; ii) to compare the prediction performance of digital soil mapping (DSM) and visible-near infrared (Vis-NIR) spectroscopy approaches. The study area of 140 ha, located at Plancoët, surrounds the unique mineral spring water of Brittany (Western France). It's a hillock characterized by a heterogeneous landscape mosaic with different types of forest, permanent pastures and wetlands along a small coastal river. We acquired two independent datasets: j) 50 points selected using a conditioned Latin hypercube sampling (cLHS); jj) 254 points corresponding to the GSM grid. Soil samples were collected in three layers (0-5, 20-25 and 40-50cm) for both sampling strategies. SOC content was only measured in cLHS soil samples, while Vis-NIR spectra were measured on all the collected samples. For the DSM approach, a machine-learning algorithm (Cubist) was applied on the cLHS calibration data to build rule-based models linking soil carbon content in the different layers with environmental covariates, derived from digital elevation model, geological variables, land use data and existing large scale soil maps. For the spectroscopy approach, we used two calibration datasets: k) the local cLHS ; kk) a subset selected from the regional spectral database of Brittany after a PCA with a hierarchical clustering analysis and spiked by local cLHS spectra. The PLS regression algorithm with "leave-one-out" cross validation was performed for both calibration datasets. SOC contents for the 3 layers of the GSM grid were predicted using the different approaches and were compared with each other. Their prediction performance was evaluated by the following parameters: R2, RMSE and RPD. Both approaches led to satisfactory predictions for SOC content with an advantage for the spectral approach, particularly as regards the pertinence of the variation

  7. Colloids exposed to random potential energy landscapes: From particle number density to particle-potential and particle-particle interactions

    International Nuclear Information System (INIS)

    Bewerunge, Jörg; Capellmann, Ronja F.; Platten, Florian; Egelhaaf, Stefan U.; Sengupta, Ankush; Sengupta, Surajit

    2016-01-01

    Colloidal particles were exposed to a random potential energy landscape that has been created optically via a speckle pattern. The mean particle density as well as the potential roughness, i.e., the disorder strength, were varied. The local probability density of the particles as well as its main characteristics were determined. For the first time, the disorder-averaged pair density correlation function g (1) (r) and an analogue of the Edwards-Anderson order parameter g (2) (r), which quantifies the correlation of the mean local density among disorder realisations, were measured experimentally and shown to be consistent with replica liquid state theory results.

  8. Oil and Gas Development in Southwestern Wyoming - Energy Data and Services for the Wyoming Landscape Conservation Initiative (WLCI)

    Science.gov (United States)

    Biewick, Laura

    2009-01-01

    The purpose of this report is to explore current oil and gas energy development in the area encompassing the Wyoming Landscape Conservation Initiative. The Wyoming Landscape Conservation Initiative is a long-term science-based effort to ensure southwestern Wyoming's wildlife and habitat remain viable in areas facing development pressure. Wyoming encompasses some of the highest quality wildlife habitats in the Intermountain West. At the same time, this region is an important source of natural gas. Using Geographic Information System technology, energy data pertinent to the conservation decision-making process have been assembled to show historical oil and gas exploration and production in southwestern Wyoming. In addition to historical data, estimates of undiscovered oil and gas are included from the 2002 U.S. Geological Survey National Assessment of Oil and Gas in the Southwestern Wyoming Province. This report is meant to facilitate the integration of existing data with new knowledge and technologies to analyze energy resources development and to assist in habitat conservation planning. The well and assessment data can be accessed and shared among many different clients including, but not limited to, an online web-service for scientists and resource managers engaged in the Initiative.

  9. From GCM energy kernels to Weyl-Wigner Hamiltonians: a particular mapping

    International Nuclear Information System (INIS)

    Galetti, D.

    1984-01-01

    A particular mapping is established which directly connects GCM energy kernels to Weyl-Wigner Hamiltonians, under the assumption of gaussian overlap kernel. As an application of this mapping scheme the collective Hamiltonians for some giant resonances are derived. (Author) [pt

  10. Exploring the energy landscape of biopolymers using single molecule force spectroscopy and molecular simulations

    OpenAIRE

    Hyeon, Changbong

    2010-01-01

    In recent years, single molecule force techniques have opened a new avenue to decipher the folding landscapes of biopolymers by allowing us to watch and manipulate the dynamics of individual proteins and nucleic acids. In single molecule force experiments, quantitative analyses of measurements employing sound theoretical models and molecular simulations play central role more than any other field. With a brief description of basic theories for force mechanics and molecular simulation techniqu...

  11. An operational methodology for riparian land cover fine scale regional mapping for the study of landscape influence on river ecological status

    Science.gov (United States)

    Tormos, T.; Kosuth, P.; Souchon, Y.; Villeneuve, B.; Durrieu, S.; Chandesris, A.

    2010-12-01

    Preservation and restoration of river ecosystems require an improved understanding of the mechanisms through which they are influenced by landscape at multiple spatial scales and particularly at river corridor scale considering the role of riparian vegetation for regulating and protecting river ecological status and the relevance of this specific area for implementing efficient and realistic strategies. Assessing correctly this influence over large river networks involves accurate broad scale (i.e. at least regional) information on Land Cover within Riparian Areas (LCRA). As the structure of land cover along rivers is generally not accessible using moderate-scale satellite imagery, finer spatial resolution imagery and specific mapping techniques are needed. For this purpose we developed a generic multi-scale Object Based Image Analysis (OBIA) scheme able to produce LCRA maps in different geographic context by exploiting information available from very high spatial resolution imagery (satellite or airborne) and/or metric to decametric spatial thematic data on a given study zone thanks to fuzzy expert knowledge classification rules. A first experimentation was carried out on the Herault river watershed (southern of France), a 2650 square kilometers basin that presents a contrasted landscape (different ecoregions) and a total stream length of 1150 Km, using high and very high multispectral remotely-sensed images (10m Spot5 multispectral images and 0.5m aerial photography) and existing spatial thematic data. Application of the OBIA scheme produced a detailed (22 classes) LCRA map with an overall accuracy of 89% and a Kappa index of 83% according to a land cover pressures typology (six categories). A second experimentation (using the same data sources) was carried out on a larger test zone, a part of the Normandy river network (25 000 square kilometers basin; 6000 km long river network; 155 ecological stations). This second work aimed at elaborating a robust statistical

  12. Analyzing high resolution topography for advancing the understanding of mass and energy transfer through landscapes: A review

    Science.gov (United States)

    Passaiacquaa, Paola; Belmont, Patrick; Staley, Dennis M.; Simley, Jeffery; Arrowsmith, J. Ramon; Bode, Collin A.; Crosby, Christopher; DeLong, Stephen; Glenn, Nancy; Kelly, Sara; Lague, Dimitri; Sangireddy, Harish; Schaffrath, Keelin; Tarboton, David; Wasklewicz, Thad; Wheaton, Joseph

    2015-01-01

    The study of mass and energy transfer across landscapes has recently evolved to comprehensive considerations acknowledging the role of biota and humans as geomorphic agents, as well as the importance of small-scale landscape features. A contributing and supporting factor to this evolution is the emergence over the last two decades of technologies able to acquire high resolution topography (HRT) (meter and sub-meter resolution) data. Landscape features can now be captured at an appropriately fine spatial resolution at which surface processes operate; this has revolutionized the way we study Earth-surface processes. The wealth of information contained in HRT also presents considerable challenges. For example, selection of the most appropriate type of HRT data for a given application is not trivial. No definitive approach exists for identifying and filtering erroneous or unwanted data, yet inappropriate filtering can create artifacts or eliminate/distort critical features. Estimates of errors and uncertainty are often poorly defined and typically fail to represent the spatial heterogeneity of the dataset, which may introduce bias or error for many analyses. For ease of use, gridded products are typically preferred rather than the more information-rich point cloud representations. Thus many users take advantage of only a fraction of the available data, which has furthermore been subjected to a series of operations often not known or investigated by the user. Lastly, standard HRT analysis work-flows are yet to be established for many popular HRT operations, which has contributed to the limited use of point cloud data.In this review, we identify key research questions relevant to the Earth-surface processes community within the theme of mass and energy transfer across landscapes and offer guidance on how to identify the most appropriate topographic data type for the analysis of interest. We describe the operations commonly performed from raw data to raster products and

  13. The energy landscapes of repeat-containing proteins: topology, cooperativity, and the folding funnels of one-dimensional architectures.

    Directory of Open Access Journals (Sweden)

    Diego U Ferreiro

    2008-05-01

    Full Text Available Repeat-proteins are made up of near repetitions of 20- to 40-amino acid stretches. These polypeptides usually fold up into non-globular, elongated architectures that are stabilized by the interactions within each repeat and those between adjacent repeats, but that lack contacts between residues distant in sequence. The inherent symmetries both in primary sequence and three-dimensional structure are reflected in a folding landscape that may be analyzed as a quasi-one-dimensional problem. We present a general description of repeat-protein energy landscapes based on a formal Ising-like treatment of the elementary interaction energetics in and between foldons, whose collective ensemble are treated as spin variables. The overall folding properties of a complete "domain" (the stability and cooperativity of the repeating array can be derived from this microscopic description. The one-dimensional nature of the model implies there are simple relations for the experimental observables: folding free-energy (DeltaG(water and the cooperativity of denaturation (m-value, which do not ordinarily apply for globular proteins. We show how the parameters for the "coarse-grained" description in terms of foldon spin variables can be extracted from more detailed folding simulations on perfectly funneled landscapes. To illustrate the ideas, we present a case-study of a family of tetratricopeptide (TPR repeat proteins and quantitatively relate the results to the experimentally observed folding transitions. Based on the dramatic effect that single point mutations exert on the experimentally observed folding behavior, we speculate that natural repeat proteins are "poised" at particular ratios of inter- and intra-element interaction energetics that allow them to readily undergo structural transitions in physiologically relevant conditions, which may be intrinsically related to their biological functions.

  14. The greenGain project - Biomass from landscape conservation and maintenance work for renewable energy production in the EU

    Science.gov (United States)

    Clalüna, Aline; Baumgarten, Wibke; García Galindo, Daniel; Lenz, Klaus; Doležal, Jan; De Filippi, Federico; Lorenzo, Joaquín; Montagnoli, Louis

    2017-04-01

    The project greenGain is looking for solutions to increase the energy production with regional and local biomass from landscape conservation and maintenance work, which is performed in the public interest. The relevant resources analysed in the greenGain model regions are, among others, biomass residues from clearing invasive vegetation in marginal agricultural lands in Spain, and residues from abandoned vineyards and olive groves in landscape protected areas in Italy. The main target groups are regional and local players who are responsible for maintenance and conservation work and for the biomass residue management in their regions. Moreover, the focus will be on service providers - including farmers and forest owners, their associations, NGOs, energy providers and consumers. Local companies, municipalities and public authorities are collaborating to identify the still underutilised non-food biomass resources and to discuss the way to integrate them into the local and regional biomass markets. Since the start of the three year project in January 2015, the partners from Italy, Spain, Czech Republic and Germany analysed, among other, the biomass feedstock potential coming from landscape maintenance work, and assessed various technological options to utilise this type of biomass. Further, political, legal and environmental aspects as well as awareness raising and public acceptance actions regarding the energetic use of biomass from public areas were assessed. greenGain also facilitates the exchange between model regions and other similar relevant players in the EU and shares examples of good practice. General guidelines will be prepared to guarantee a wide dissemination to other regions in the EU. Thus, the project shows how to build-up reliable knowledge on local availability of this feedstock and provides know-how concerning planning, harvesting, pre-treatment, storage and sustainable conversion pathways to a wide range of stakeholders in the EU.

  15. Structure prediction of nanoclusters; a direct or a pre-screened search on the DFT energy landscape?

    Science.gov (United States)

    Farrow, M R; Chow, Y; Woodley, S M

    2014-10-21

    The atomic structure of inorganic nanoclusters obtained via a search for low lying minima on energy landscapes, or hypersurfaces, is reported for inorganic binary compounds: zinc oxide (ZnO)n, magnesium oxide (MgO)n, cadmium selenide (CdSe)n, and potassium fluoride (KF)n, where n = 1-12 formula units. The computational cost of each search is dominated by the effort to evaluate each sample point on the energy landscape and the number of required sample points. The effect of changing the balance between these two factors on the success of the search is investigated. The choice of sample points will also affect the number of required data points and therefore the efficiency of the search. Monte Carlo based global optimisation routines (evolutionary and stochastic quenching algorithms) within a new software package, viz. Knowledge Led Master Code (KLMC), are employed to search both directly and after pre-screening on the DFT energy landscape. Pre-screening includes structural relaxation to minimise a cheaper energy function - based on interatomic potentials - and is found to improve significantly the search efficiency, and typically reduces the number of DFT calculations required to locate the local minima by more than an order of magnitude. Although the choice of functional form is important, the approach is robust to small changes to the interatomic potential parameters. The computational cost of initial DFT calculations of each structure is reduced by employing Gaussian smearing to the electronic energy levels. Larger (KF)n nanoclusters are predicted to form cuboid cuts from the rock-salt phase, but also share many structural motifs with (MgO)n for smaller clusters. The transition from 2D rings to 3D (bubble, or fullerene-like) structures occur at a larger cluster size for (ZnO)n and (CdSe)n. Differences between the HOMO and LUMO energies, for all the compounds apart from KF, are in the visible region of the optical spectrum (2-3 eV); KF lies deep in the UV region

  16. Mapping the fitness landscape of gene expression uncovers the cause of antagonism and sign epistasis between adaptive mutations.

    Directory of Open Access Journals (Sweden)

    Hsin-Hung Chou

    2014-02-01

    Full Text Available How do adapting populations navigate the tensions between the costs of gene expression and the benefits of gene products to optimize the levels of many genes at once? Here we combined independently-arising beneficial mutations that altered enzyme levels in the central metabolism of Methylobacterium extorquens to uncover the fitness landscape defined by gene expression levels. We found strong antagonism and sign epistasis between these beneficial mutations. Mutations with the largest individual benefit interacted the most antagonistically with other mutations, a trend we also uncovered through analyses of datasets from other model systems. However, these beneficial mutations interacted multiplicatively (i.e., no epistasis at the level of enzyme expression. By generating a model that predicts fitness from enzyme levels we could explain the observed sign epistasis as a result of overshooting the optimum defined by a balance between enzyme catalysis benefits and fitness costs. Knowledge of the phenotypic landscape also illuminated that, although the fitness peak was phenotypically far from the ancestral state, it was not genetically distant. Single beneficial mutations jumped straight toward the global optimum rather than being constrained to change the expression phenotypes in the correlated fashion expected by the genetic architecture. Given that adaptation in nature often results from optimizing gene expression, these conclusions can be widely applicable to other organisms and selective conditions. Poor interactions between individually beneficial alleles affecting gene expression may thus compromise the benefit of sex during adaptation and promote genetic differentiation.

  17. Free energy landscape and transition pathways from Watson–Crick to Hoogsteen base pairing in free duplex DNA

    Science.gov (United States)

    Yang, Changwon; Kim, Eunae; Pak, Youngshang

    2015-01-01

    Houghton (HG) base pairing plays a central role in the DNA binding of proteins and small ligands. Probing detailed transition mechanism from Watson–Crick (WC) to HG base pair (bp) formation in duplex DNAs is of fundamental importance in terms of revealing intrinsic functions of double helical DNAs beyond their sequence determined functions. We investigated a free energy landscape of a free B-DNA with an adenosine–thymine (A–T) rich sequence to probe its conformational transition pathways from WC to HG base pairing. The free energy landscape was computed with a state-of-art two-dimensional umbrella molecular dynamics simulation at the all-atom level. The present simulation showed that in an isolated duplex DNA, the spontaneous transition from WC to HG bp takes place via multiple pathways. Notably, base flipping into the major and minor grooves was found to play an important role in forming these multiple transition pathways. This finding suggests that naked B-DNA under normal conditions has an inherent ability to form HG bps via spontaneous base opening events. PMID:26250116

  18. Free energy landscape and transition pathways from Watson-Crick to Hoogsteen base pairing in free duplex DNA.

    Science.gov (United States)

    Yang, Changwon; Kim, Eunae; Pak, Youngshang

    2015-09-18

    Houghton (HG) base pairing plays a central role in the DNA binding of proteins and small ligands. Probing detailed transition mechanism from Watson-Crick (WC) to HG base pair (bp) formation in duplex DNAs is of fundamental importance in terms of revealing intrinsic functions of double helical DNAs beyond their sequence determined functions. We investigated a free energy landscape of a free B-DNA with an adenosine-thymine (A-T) rich sequence to probe its conformational transition pathways from WC to HG base pairing. The free energy landscape was computed with a state-of-art two-dimensional umbrella molecular dynamics simulation at the all-atom level. The present simulation showed that in an isolated duplex DNA, the spontaneous transition from WC to HG bp takes place via multiple pathways. Notably, base flipping into the major and minor grooves was found to play an important role in forming these multiple transition pathways. This finding suggests that naked B-DNA under normal conditions has an inherent ability to form HG bps via spontaneous base opening events. © The Author(s) 2015. Published by Oxford University Press on behalf of Nucleic Acids Research.

  19. Direct dose mapping versus energy/mass transfer mapping for 4D dose accumulation: fundamental differences and dosimetric consequences.

    Science.gov (United States)

    Li, Haisen S; Zhong, Hualiang; Kim, Jinkoo; Glide-Hurst, Carri; Gulam, Misbah; Nurushev, Teamour S; Chetty, Indrin J

    2014-01-06

    The direct dose mapping (DDM) and energy/mass transfer (EMT) mapping are two essential algorithms for accumulating the dose from different anatomic phases to the reference phase when there is organ motion or tumor/tissue deformation during the delivery of radiation therapy. DDM is based on interpolation of the dose values from one dose grid to another and thus lacks rigor in defining the dose when there are multiple dose values mapped to one dose voxel in the reference phase due to tissue/tumor deformation. On the other hand, EMT counts the total energy and mass transferred to each voxel in the reference phase and calculates the dose by dividing the energy by mass. Therefore it is based on fundamentally sound physics principles. In this study, we implemented the two algorithms and integrated them within the Eclipse treatment planning system. We then compared the clinical dosimetric difference between the two algorithms for ten lung cancer patients receiving stereotactic radiosurgery treatment, by accumulating the delivered dose to the end-of-exhale (EE) phase. Specifically, the respiratory period was divided into ten phases and the dose to each phase was calculated and mapped to the EE phase and then accumulated. The displacement vector field generated by Demons-based registration of the source and reference images was used to transfer the dose and energy. The DDM and EMT algorithms produced noticeably different cumulative dose in the regions with sharp mass density variations and/or high dose gradients. For the planning target volume (PTV) and internal target volume (ITV) minimum dose, the difference was up to 11% and 4% respectively. This suggests that DDM might not be adequate for obtaining an accurate dose distribution of the cumulative plan, instead, EMT should be considered.

  20. Genome-wide ChIP-seq mapping and analysis of butyrate-induced H3K9 and H3K27 acetylation and epigenomic landscape alteration in bovine cells

    Science.gov (United States)

    Utilizing next-generation sequencing technology, combined with ChIP (Chromatin Immunoprecipitation) technology, we analyzed histone modification (acetylation) induced by butyrate and the large-scale mapping of the epigenomic landscape of normal histone H3 and acetylated histone H3K9 and H3K27. To d...

  1. Russian energy imperialism: the world mapped along the gas pipelines

    OpenAIRE

    Baločkaitė, Rasa

    2012-01-01

    Energy imperialism refers to the use of natural resources for political purposes, i.e. weaponization of energy. At the state level, it means specific institutional structure, as the state building is predetermined by oil led developments. At the international level, it means international nets of energy dependency, centered around the mother state possessing oil, gas and other natural resources. In a paradox way, the so called Western world (Western Europe and North America) becomes increasin...

  2. The significance of the amorphous potential energy landscape for dictating glassy dynamics and driving solid-state crystallisation

    DEFF Research Database (Denmark)

    Ruggiero, Michael T; Krynski, Marcin; Kissi, Eric Ofosu

    2017-01-01

    clear experimental and computational evidence in support of a theory that proposes that the shape and structure of the potential-energy surface (PES) is the fundamental factor underlying the glass-transition processes, regardless of the frequency that experimental methods probe. Whilst this has been....... Combined, these findings provide compelling evidence that the PES landscape, and the corresponding energy barriers, are the ultimate controlling feature behind the atomic and molecular dynamics of disordered solids, regardless of the frequency at which they occur....... proposed previously, we demonstrate, using ab initio molecular-dynamics (AIMD) simulations, that it is of critical importance to carefully consider the complete PES - both the intra-molecular and inter-molecular features - in order to fully understand the entire range of atomic-dynamical processes...

  3. The Swiss Energy Sector. Innovation landscape and chances for the Netherlands; De Zwitserse energiesector. Innovatielandschap en kansen voor Nederland

    Energy Technology Data Exchange (ETDEWEB)

    Van Ewijk, S. [Innovatie Attache Netwerk, Ambassad Berlijn, Berlin (Netherlands)

    2012-08-15

    An overview is given of innovation in the Swiss energy sector and the following research question will be answered: what are the characteristics of the Swiss innovation landscape in the energy sector and what opportunities are there for the Dutch energy sector? The emphasis is on themes that occur in the Dutch top sector policy, such as natural gas and energy conservation. The aim is to encourage cooperation between the Netherlands and Switzerland in the field of energy and provide inspiration for investment, policy solutions and markets in the field of energy. Each chapter contains references to Swiss authorities for more information and further steps [Dutch] Een overzicht wordt gegeven van innovatie in de Zwitserse energiesector en probeert de volgende onderzoeksvraag te beantwoorden: wat zijn de kenmerken van het Zwitserse innovatielandschap in de energiesector en welke kansen zijn er voor de Nederlandse energiesector? De nadruk ligt daarbij op thema's die ook in het Nederlandse topsectorbeleid voorkomen, zoals aardgas en energiebesparing. Het doel is om de samenwerking tussen Nederland en Zwitserland op energiegebied te stimuleren en informatie te bieden als inspiratie voor investeringen, beleidsoplossingen en afzetmarkten op energiegebied. Ieder hoofdstuk bevat verwijzingen naar Zwitserse instanties voor meer informatie en verdere stappen.

  4. Road map for renewable energy research and development in Egypt

    Directory of Open Access Journals (Sweden)

    Adel K. Khalil

    2010-01-01

    Full Text Available Egypt possesses excellent potential for renewable energy (RE including solar, wind and biomass energy. Renewable energy technologies (RETs and systems have different needs for support in terms of research and development, demonstration and market development. For this purpose, the Energy Research Center (ERC at Cairo University has carried out a study with the ultimate goal of formulating a national development strategy and action plan for the local manufacture of renewable energy systems (RESs and components. The present study positions the different RETs and RESs and identifies the research and development needs for each technology. The study also suggests how to establish a competitive market for RET. For this purpose it builds and analyses a set of likely scenarios, and proposes a practical development strategy and a detailed action plan for achieving it.

  5. Physical mechanism of mind changes and tradeoffs among speed, accuracy, and energy cost in brain decision making: Landscape, flux, and path perspectives

    International Nuclear Information System (INIS)

    Yan Han; Wang Jin; Zhang Kun

    2016-01-01

    Cognitive behaviors are determined by underlying neural networks. Many brain functions, such as learning and memory, have been successfully described by attractor dynamics. For decision making in the brain, a quantitative description of global attractor landscapes has not yet been completely given. Here, we developed a theoretical framework to quantify the landscape associated with the steady state probability distributions and associated steady state curl flux, measuring the degree of non-equilibrium through the degree of detailed balance breaking for decision making. We quantified the decision-making processes with optimal paths from the undecided attractor states to the decided attractor states, which are identified as basins of attractions, on the landscape. Both landscape and flux determine the kinetic paths and speed. The kinetics and global stability of decision making are explored by quantifying the landscape topography through the barrier heights and the mean first passage time. Our theoretical predictions are in agreement with experimental observations: more errors occur under time pressure. We quantitatively explored two mechanisms of the speed-accuracy tradeoff with speed emphasis and further uncovered the tradeoffs among speed, accuracy, and energy cost. Our results imply that there is an optimal balance among speed, accuracy, and the energy cost in decision making. We uncovered the possible mechanisms of changes of mind and how mind changes improve performance in decision processes. Our landscape approach can help facilitate an understanding of the underlying physical mechanisms of cognitive processes and identify the key factors in the corresponding neural networks. (paper)

  6. Accuracy assessment of the National Forest Inventory map of Mexico: sampling designs and the fuzzy characterization of landscapes

    Directory of Open Access Journals (Sweden)

    Stéphane Couturier

    2009-10-01

    Full Text Available There is no record so far in the literature of a comprehensive method to assess the accuracy of regional scale Land Cover/ Land Use (LCLU maps in the sub-tropical belt. The elevated biodiversity and the presence of highly fragmented classes hamper the use of sampling designs commonly employed in previous assessments of mainly temperate zones. A sampling design for assessing the accuracy of the Mexican National Forest Inventory (NFI map at community level is presented. A pilot study was conducted on the Cuitzeo Lake watershed region covering 400 000 ha of the 2000 Landsat-derived map. Various sampling designs were tested in order to find a trade-off between operational costs, a good spatial distribution of the sample and the inclusion of all scarcely distributed classes (‘rare classes’. A two-stage sampling design where the selection of Primary Sampling Units (PSU was done under separate schemes for commonly and scarcely distributed classes, showed best characteristics. A total of 2 023 punctual secondary sampling units were verified against their NFI map label. Issues regarding the assessment strategy and trends of class confusions are devised.

  7. A new symbol-and-GIS based detailed geomorphological mapping system: Renewal of a scientific discipline for understanding landscape development

    NARCIS (Netherlands)

    Gustavvson, M.; Kolstrup, E.; Seijmonsbergen, A.C.

    2006-01-01

    Abstract This paper presents a comprehensive and flexible new geomorphological combination legend that expands the possibilities of current geomorphological mapping concepts. The new legend is presented here at scale of 1:10,000 and it combines symbols for hydrography, morphometry/morphography,

  8. Energy Provisions of the ICC-700, LEED for Homes, and ENERGY STAR Mapped to the 2009 IECC

    Energy Technology Data Exchange (ETDEWEB)

    Britt, Michelle L. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Sullivan, Robin S. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Kora, Angela R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Makela, Eric J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Makela, Erin [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2011-05-01

    This document provides the results of a comparison of building energy efficient elements of the ICC-700 National Green Building Standard, LEED for Homes, and ENERGY STAR versions 2, 2.5, and 3.0 to the 2009 International Energy Conservation Code (2009 IECC). This comparison will provide a tool for states and local municipalities as they consider adoption of these programs. The comparison is presented in a series of appendices. The first appendix provides a summary chart that visually represents the comprehensive comparison of the programs to the 2009 IECC topic areas. Next there are a series of individual tables (one appendix for each program) that include the specific program mapping to the 2009 IECC elements with comments that briefly discuss how well the elements mapped. Finally, a comprehensive table is included that shows all five of the programs mapped to the 2009 IECC elements to allow a detailed comparison.

  9. Hierarchical structure of the energy landscape of proteins revisited by time series analysis. II. Investigation of explicit solvent effects

    Science.gov (United States)

    Alakent, Burak; Camurdan, Mehmet C.; Doruker, Pemra

    2005-10-01

    Time series analysis tools are employed on the principal modes obtained from the Cα trajectories from two independent molecular-dynamics simulations of α-amylase inhibitor (tendamistat). Fluctuations inside an energy minimum (intraminimum motions), transitions between minima (interminimum motions), and relaxations in different hierarchical energy levels are investigated and compared with those encountered in vacuum by using different sampling window sizes and intervals. The low-frequency low-indexed mode relationship, established in vacuum, is also encountered in water, which shows the reliability of the important dynamics information offered by principal components analysis in water. It has been shown that examining a short data collection period (100ps) may result in a high population of overdamped modes, while some of the low-frequency oscillations (memory: future conformations are less dependent on previous conformations due to the lowering of energy barriers in hierarchical levels of the energy landscape. In short-time dynamics (sight contradicts. However, this comes about because water enhances the transitions between minima and forces the protein to reduce its already inherent inability to maintain oscillations observed in vacuum. Some of the frequencies lower than 10cm-1 are found to be overdamped, while those higher than 20cm-1 are slightly increased. As for the long-time dynamics in water, it is found that random-walk motion is maintained for approximately 200ps (about five times of that in vacuum) in the low-indexed modes, showing the lowering of energy barriers between the higher-level minima.

  10. Landscape Studio

    DEFF Research Database (Denmark)

    Hansen, Peter Lundsgaard

    2017-01-01

    Landscape studio documents is the biography of the method 'design conversation' and contributes to the way we work with landscapes. The blog communicates renewed landscape didactics and leads to the innovation of design practices.......Landscape studio documents is the biography of the method 'design conversation' and contributes to the way we work with landscapes. The blog communicates renewed landscape didactics and leads to the innovation of design practices....

  11. Applications of the MapReduce programming framework to clinical big data analysis: current landscape and future trends.

    Science.gov (United States)

    Mohammed, Emad A; Far, Behrouz H; Naugler, Christopher

    2014-01-01

    The emergence of massive datasets in a clinical setting presents both challenges and opportunities in data storage and analysis. This so called "big data" challenges traditional analytic tools and will increasingly require novel solutions adapted from other fields. Advances in information and communication technology present the most viable solutions to big data analysis in terms of efficiency and scalability. It is vital those big data solutions are multithreaded and that data access approaches be precisely tailored to large volumes of semi-structured/unstructured data. THE MAPREDUCE PROGRAMMING FRAMEWORK USES TWO TASKS COMMON IN FUNCTIONAL PROGRAMMING: Map and Reduce. MapReduce is a new parallel processing framework and Hadoop is its open-source implementation on a single computing node or on clusters. Compared with existing parallel processing paradigms (e.g. grid computing and graphical processing unit (GPU)), MapReduce and Hadoop have two advantages: 1) fault-tolerant storage resulting in reliable data processing by replicating the computing tasks, and cloning the data chunks on different computing nodes across the computing cluster; 2) high-throughput data processing via a batch processing framework and the Hadoop distributed file system (HDFS). Data are stored in the HDFS and made available to the slave nodes for computation. In this paper, we review the existing applications of the MapReduce programming framework and its implementation platform Hadoop in clinical big data and related medical health informatics fields. The usage of MapReduce and Hadoop on a distributed system represents a significant advance in clinical big data processing and utilization, and opens up new opportunities in the emerging era of big data analytics. The objective of this paper is to summarize the state-of-the-art efforts in clinical big data analytics and highlight what might be needed to enhance the outcomes of clinical big data analytics tools. This paper is concluded by

  12. Cowichan Valley energy mapping and modelling. Report 6 - Findings and recommendations. Final report. [Vancouver Island, Canada

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2012-06-15

    This report is the final report in a series of six reports detailing the findings from the Cowichan Valley Energy Mapping and Modelling project that was carried out from April of 2011 to March of 2012 by Ea Energy Analyses in conjunction with Geographic Resource Analysis and Science (GRAS). The driving force behind the Integrated Energy Mapping and Analysis project was the identification and analysis of a suite of pathways that the Cowichan Valley Regional District (CVRD) can utilise to increase its energy resilience, as well as reduce energy consumption and GHG emissions, with a primary focus on the residential sector. Mapping and analysis undertaken will support provincial energy and GHG reduction targets, and the suite of pathways outlined will address a CVRD internal target that calls for 75% of the region's energy within the residential sector to come from locally sourced renewables by 2050. The target has been developed as a mechanism to meet resilience and climate action target. The maps and findings produced are to be integrated as part of a regional policy framework currently under development. The present report is the final report and presents a summary of the findings of project tasks 1-5 and provides a set of recommendations to the CVRD based on the work done and with an eye towards the next steps in the energy planning process of the CVRD. (LN)

  13. Influence of the interaction volume on the kinetic energy resolution of a velocity map imaging spectrometer

    International Nuclear Information System (INIS)

    Zhang Peng; Feng Zheng-Peng; Luo Si-Qiang; Wang Zhe

    2016-01-01

    We investigate the influence of the interaction volume on the energy resolution of a velocity map imaging spectrometer. The simulation results show that the axial interaction size has a significant influence on the resolution. This influence is increased for a higher kinetic energy. We further show that the radial interaction size has a minor influence on the energy resolution for the electron or ion with medium energy, but it is crucial for the resolution of the electron or ion with low kinetic energy. By tracing the flight trajectories we show how the electron or ion energy resolution is influenced by the interaction size. (paper)

  14. An optimization method of VON mapping for energy efficiency and routing in elastic optical networks

    Science.gov (United States)

    Liu, Huanlin; Xiong, Cuilian; Chen, Yong; Li, Changping; Chen, Derun

    2018-03-01

    To improve resources utilization efficiency, network virtualization in elastic optical networks has been developed by sharing the same physical network for difference users and applications. In the process of virtual nodes mapping, longer paths between physical nodes will consume more spectrum resources and energy. To address the problem, we propose a virtual optical network mapping algorithm called genetic multi-objective optimize virtual optical network mapping algorithm (GM-OVONM-AL), which jointly optimizes the energy consumption and spectrum resources consumption in the process of virtual optical network mapping. Firstly, a vector function is proposed to balance the energy consumption and spectrum resources by optimizing population classification and crowding distance sorting. Then, an adaptive crossover operator based on hierarchical comparison is proposed to improve search ability and convergence speed. In addition, the principle of the survival of the fittest is introduced to select better individual according to the relationship of domination rank. Compared with the spectrum consecutiveness-opaque virtual optical network mapping-algorithm and baseline-opaque virtual optical network mapping algorithm, simulation results show the proposed GM-OVONM-AL can achieve the lowest bandwidth blocking probability and save the energy consumption.

  15. Kite aerial photography for low-cost, ultra-high spatial resolution multi-spectral mapping of intertidal landscapes.

    Directory of Open Access Journals (Sweden)

    Mitch Bryson

    Full Text Available Intertidal ecosystems have primarily been studied using field-based sampling; remote sensing offers the ability to collect data over large areas in a snapshot of time that could complement field-based sampling methods by extrapolating them into the wider spatial and temporal context. Conventional remote sensing tools (such as satellite and aircraft imaging provide data at limited spatial and temporal resolutions and relatively high costs for small-scale environmental science and ecologically-focussed studies. In this paper, we describe a low-cost, kite-based imaging system and photogrammetric/mapping procedure that was developed for constructing high-resolution, three-dimensional, multi-spectral terrain models of intertidal rocky shores. The processing procedure uses automatic image feature detection and matching, structure-from-motion and photo-textured terrain surface reconstruction algorithms that require minimal human input and only a small number of ground control points and allow the use of cheap, consumer-grade digital cameras. The resulting maps combine imagery at visible and near-infrared wavelengths and topographic information at sub-centimeter resolutions over an intertidal shoreline 200 m long, thus enabling spatial properties of the intertidal environment to be determined across a hierarchy of spatial scales. Results of the system are presented for an intertidal rocky shore at Jervis Bay, New South Wales, Australia. Potential uses of this technique include mapping of plant (micro- and macro-algae and animal (e.g. gastropods assemblages at multiple spatial and temporal scales.

  16. Kite aerial photography for low-cost, ultra-high spatial resolution multi-spectral mapping of intertidal landscapes.

    Science.gov (United States)

    Bryson, Mitch; Johnson-Roberson, Matthew; Murphy, Richard J; Bongiorno, Daniel

    2013-01-01

    Intertidal ecosystems have primarily been studied using field-based sampling; remote sensing offers the ability to collect data over large areas in a snapshot of time that could complement field-based sampling methods by extrapolating them into the wider spatial and temporal context. Conventional remote sensing tools (such as satellite and aircraft imaging) provide data at limited spatial and temporal resolutions and relatively high costs for small-scale environmental science and ecologically-focussed studies. In this paper, we describe a low-cost, kite-based imaging system and photogrammetric/mapping procedure that was developed for constructing high-resolution, three-dimensional, multi-spectral terrain models of intertidal rocky shores. The processing procedure uses automatic image feature detection and matching, structure-from-motion and photo-textured terrain surface reconstruction algorithms that require minimal human input and only a small number of ground control points and allow the use of cheap, consumer-grade digital cameras. The resulting maps combine imagery at visible and near-infrared wavelengths and topographic information at sub-centimeter resolutions over an intertidal shoreline 200 m long, thus enabling spatial properties of the intertidal environment to be determined across a hierarchy of spatial scales. Results of the system are presented for an intertidal rocky shore at Jervis Bay, New South Wales, Australia. Potential uses of this technique include mapping of plant (micro- and macro-algae) and animal (e.g. gastropods) assemblages at multiple spatial and temporal scales.

  17. Calculation of noise maps around electrical energy substations

    International Nuclear Information System (INIS)

    Diniz, Fabiano B.; Zannin, Paulo H.T.

    2005-01-01

    This work is aimed at studying the noise caused by the transformers found in electrical substations located in calm areas in the city of Curitiba, Brazil. Although the level itself reaching the nearby buildings is not high if compared to other noise sources commonly found in a large city, they produce an annoying noise due to its low frequency tonal components. Two substations and their surroundings have been analyzed and acoustically mapped. The results have shown that some houses receive up to 35 dB(A) near one of the substations, which may led to some discomfort. It has also been noticed that a good planning of a substation, mainly of the firewalls, may help putting the houses under acoustical shadows. (Author)

  18. The Energy Footprint on the Landscape and What this Means for Plants, Animals, and Ecosystems

    OpenAIRE

    Belnap, Jayne

    2012-01-01

    Dryland regions of the western U.S. contain abundant energy resources, whether they are traditional oil/gas or alternative sources such as solar or wind. With energy exploration and development comes surface disturbance and other impacts. The impact of energy exploration, such as running seismic lines, is associated with soil surface disruption that can be quite severe at a local level. Energy development brings a host of other concerns that need to be considered and likely mitigated. All ene...

  19. Addressing the trade-climate change-energy nexus: China's explorations in a global governance landscape

    OpenAIRE

    Monkelbaan, Joachim

    2014-01-01

    We have arrived at a critical juncture when it comes to understanding the numerous ways in which trade interacts with climate change and energy (trade-climate-energy nexus). Trade remains crucial for the sustainable development of the world's greatest trading nation: China. After clarifying the linkages within the trade, climate change and energy nexus, this article delves into China's specific needs and interests related to trade, climate change and energy. Then it explores the ways in which...

  20. Mapping resource use over a Russian landscape: an integrated look at harvesting of a non-timber forest product in central Kamchatka

    International Nuclear Information System (INIS)

    Hitztaler, Stephanie K; Bergen, Kathleen M

    2013-01-01

    Small-scale resource use became an important adaptive mechanism in remote logging communities in Russia at the onset of the post-Soviet period in 1991. We focused on harvesting of a non-timber forest product, lingonberry (Vaccinium vitis-idaea), in the forests of the Kamchatka Peninsula (Russian Far East). We employed an integrated geographical approach to make quantifiable connections between harvesting and the landscape, and to interpret these relationships in their broader contexts. Landsat TM images were used for a new classification; the resulting land-cover map was the basis for linking non-spatial data on harvesters’ gathering behaviors to spatial data within delineated lingonberry gathering sites. Several significant relationships emerged: (1) mature forests negatively affected harvesters’ initial choice to gather in a site, while young forests had a positive effect; (2) land-cover type was critical in determining how and why gathering occurred: post-disturbance young and maturing forests were significantly associated with higher gathering intensity and with the choice to market harvests; and (3) distance from gathering sites to villages and main roads also mattered: longer distances were significantly correlated to more time spent gathering and to increased marketing of harvests. We further considered our findings in light of the larger ecological and social dynamics at play in central Kamchatka. This unique study is an important starting point for conservation- and sustainable development-based work, and for additional research into the drivers of human–landscape interactions in the Russian Far East. (letter)

  1. Communication Maps: Exploring Energy Transport through Proteins and Water

    Czech Academy of Sciences Publication Activity Database

    Agbo, J. K.; Gnanasekaran, Ramachandran; Leitner, D. M.

    2014-01-01

    Roč. 54, 8/9 (2014), s. 1065-1073 ISSN 0021-2148 Institutional support: RVO:61388963 Keywords : energy transfer * heme proteins * hydrogen bonds * molecular modeling * protein models Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.221, year: 2014

  2. Free energy landscape of dissociative adsorption of methane on ideal and defected graphene from ab initio simulations

    Science.gov (United States)

    Wlazło, M.; Majewski, J. A.

    2018-03-01

    We study the dissociative adsorption of methane at the surface of graphene. Free energy profiles, which include activation energies for different steps of the reaction, are computed from constrained ab initio molecular dynamics. At 300 K, the reaction barriers are much lower than experimental bond dissociation energies of gaseous methane, strongly indicating that the graphene surface acts as a catalyst of methane decomposition. On the other hand, the barriers are still much higher than on the nickel surface. Methane dissociation therefore occurs at a higher rate on nickel than on graphene. This reaction is a prerequisite for graphene growth from a precursor gas. Thus, the growth of the first monolayer should be a fast and efficient process while subsequent layers grow at a diminished rate and in a more controllable manner. Defects may also influence reaction energetics. This is evident from our results, in which simple defects (Stone-Wales defect and nitrogen substitution) lead to different free energy landscapes at both dissociation and adsorption steps of the process.

  3. High Resolution Mapping of Soils and Landforms for the Desert Renewable Energy Conservation Plan (DRECP)

    Science.gov (United States)

    Potter, Christopher S.; Li, Shuang

    2014-01-01

    The Desert Renewable Energy Conservation Plan (DRECP), a major component of California's renewable energy planning efforts, is intended to provide effective protection and conservation of desert ecosystems, while allowing for the sensible development of renewable energy projects. This NASA mapping report was developed to support the DRECP and the Bureau of Land Management (BLM). We outline in this document remote sensing image processing methods to deliver new maps of biological soils crusts, sand dune movements, desert pavements, and sub-surface water sources across the DRECP area. We focused data processing first on the largely unmapped areas most likely to be used for energy developments, such as those within Renewable Energy Study Areas (RESA) and Solar Energy Zones (SEZs). We used imagery (multispectral and radar) mainly from the years 2009-2011.

  4. Offshore Energy Mapping for Northeast Atlantic and Mediterranean: MARINA PLATFORM project

    Science.gov (United States)

    Kallos, G.; Galanis, G.; Spyrou, C.; Kalogeri, C.; Adam, A.; Athanasiadis, P.

    2012-04-01

    Deep offshore ocean energy mapping requires detailed modeling of the wind, wave, tidal and ocean circulation estimations. It requires also detailed mapping of the associated extremes. An important issue in such work is the co-generation of energy (generation of wind, wave, tides, currents) in order to design platforms on an efficient way. For example wind and wave fields exhibit significant phase differences and therefore the produced energy from both sources together requires special analysis. The other two sources namely tides and currents have different temporal scales from the previous two. Another important issue is related to the estimation of the environmental frequencies in order to avoid structural problems. These are issues studied at the framework of the FP7 project MARINA PLATFORM. The main objective of the project is to develop deep water structures that can exploit the energy from wind, wave, tidal and ocean current energy sources. In particular, a primary goal will be the establishment of a set of equitable and transparent criteria for the evaluation of multi-purpose platforms for marine renewable energy. Using these criteria, a novel system set of design and optimisation tools will be produced addressing new platform design, component engineering, risk assessment, spatial planning, platform-related grid connection concepts, all focussed on system integration and reducing costs. The University of Athens group is in charge for estimation and mapping of wind, wave, tidal and ocean current resources, estimate available energy potential, map extreme event characteristics and provide any additional environmental parameter required.

  5. Optimal dimensionality reduction of complex dynamics: the chess game as diffusion on a free-energy landscape.

    Science.gov (United States)

    Krivov, Sergei V

    2011-07-01

    Dimensionality reduction is ubiquitous in the analysis of complex dynamics. The conventional dimensionality reduction techniques, however, focus on reproducing the underlying configuration space, rather than the dynamics itself. The constructed low-dimensional space does not provide a complete and accurate description of the dynamics. Here I describe how to perform dimensionality reduction while preserving the essential properties of the dynamics. The approach is illustrated by analyzing the chess game--the archetype of complex dynamics. A variable that provides complete and accurate description of chess dynamics is constructed. The winning probability is predicted by describing the game as a random walk on the free-energy landscape associated with the variable. The approach suggests a possible way of obtaining a simple yet accurate description of many important complex phenomena. The analysis of the chess game shows that the approach can quantitatively describe the dynamics of processes where human decision-making plays a central role, e.g., financial and social dynamics.

  6. Hydrological change during the last 600 years as observed from landscape analysis and historical maps: a case study from the Nete catchment, Campine area, NE-Belgium

    Science.gov (United States)

    Beerten, Koen; Leterme, Bertrand

    2015-04-01

    Reliably predicting the future state of the hydrological system under transient climate and land use conditions is a major challenge. Hydrological models are usually calibrated and validated for a short time period (e.g. 30 years), for conditions that are similar to today's. In order to test model performance for future (unverifiable) projections, palaeohydrological modelling is first needed to build confidence in model output under different conditions. One of the major challenges of palaeohydrological modelling is the acquisition of verification data that is representative for the past state(s) of the hydrological system. Here, we present the reconstructed evolution of the groundwater table depth over the last six centuries, in a sandy interfluvium (20 km² with altitude varying between 16 m and 28 m a.s.l.) of the Nete catchment. For periods before 1770 AD, the altitude (depth) of blown-out surfaces in the drift sand landscape is used as a proxy for the average highest groundwater level. These surfaces are generally interpreted as the lower limit for wind erosion. Soil profiles investigations where these surfaces are overblown by younger drift sand show that they were created in the time period between ca. 1400 AD and 1600 AD. For younger periods, historical maps were analysed for the presence of surface water features, such as fens (shallow lakes that are groundwater fed in this sandy landscape under temperate climate), marshes and wetlands. The results clearly show declining water levels in the second half of the 19th century, i.e., between 1854 AD and 1909 AD. The decline is most pronounced for the higher areas of the interfluve (drift sand landscape) and becomes less clear towards the floodplains. The amount of groundwater level decline is 1-2 m on average. The cause for the synchronous groundwater level drop seems to be linked to land use and land cover changes during that period. In the time interval between 1854 AD and 1909 AD, the total length of drains

  7. Role of Neyveli Lignite in the energy map of India

    Energy Technology Data Exchange (ETDEWEB)

    Srinivasaraghavan, S

    1984-08-01

    The Neyveli Lignite Corporation (NLC), a government undertaking, has played an important role in power generation in the southern region of India by contributing about 35% of the energy consumed in Tamil Nadu for over two decades. Performance at the Neyveli Thermal Power Station demonstrates that it is more advantageous to make additions to thermal generating capacity at Neyvili using lignite. Exploration and development of the mines can support this expansion and make the southern region a nucleus for industrial development. 2 tables.

  8. Globally optimal superconducting magnets part I: minimum stored energy (MSE) current density map.

    Science.gov (United States)

    Tieng, Quang M; Vegh, Viktor; Brereton, Ian M

    2009-01-01

    An optimal current density map is crucial in magnet design to provide the initial values within search spaces in an optimization process for determining the final coil arrangement of the magnet. A strategy for obtaining globally optimal current density maps for the purpose of designing magnets with coaxial cylindrical coils in which the stored energy is minimized within a constrained domain is outlined. The current density maps obtained utilising the proposed method suggests that peak current densities occur around the perimeter of the magnet domain, where the adjacent peaks have alternating current directions for the most compact designs. As the dimensions of the domain are increased, the current density maps yield traditional magnet designs of positive current alone. These unique current density maps are obtained by minimizing the stored magnetic energy cost function and therefore suggest magnet coil designs of minimal system energy. Current density maps are provided for a number of different domain arrangements to illustrate the flexibility of the method and the quality of the achievable designs.

  9. Mapping the Health Care Policy Landscape for Complementary and Alternative Medicine Professions Using Expert Panels and Literature Analysis.

    Science.gov (United States)

    Herman, Patricia M; Coulter, Ian D

    2016-09-01

    The purpose of this project was to examine the policy implications of politically defining complementary and alternative medicine (CAM) professions by their treatment modalities rather than by their full professional scope. This study used a 2-stage exploratory grounded approach. In stage 1, we identified how CAM is represented (if considered as professions vs modalities) across a purposely sampled diverse set of policy topic domains using exemplars to describe and summarize each. In stage 2 we convened 2 stakeholder panels (12 CAM practitioners and 9 health policymaker representatives), and using the results of stage 1 as a starting point and framing mechanism, we engaged panelists in a discussion of how they each see the dichotomy and its impacts. Our discussion focused on 4 licensed CAM professions: acupuncture and Oriental medicine, chiropractic, naturopathic medicine, and massage. Workforce policies affected where and how members of CAM professions could practice. Licensure affected whether a CAM profession was recognized in a state and which modalities were allowed. Complementary and alternative medicine research examined the effectiveness of procedures and modalities and only rarely the effectiveness of care from a particular profession. Treatment guidelines are based on research and also focus on procedures and modalities. Health plan reimbursement policies address which professions are covered and for which procedures/modalities and conditions. The policy landscape related to CAM professions and modalities is broad, complex, and interrelated. Although health plan reimbursement tends to receive the majority of attention when CAM health care policy is discussed, it is clear, given the results of our study, that coverage policies cannot be addressed in isolation and that a wide range of stakeholders and social institutions will need to be involved. Copyright © 2016. Published by Elsevier Inc.

  10. Mapping the landscape of urology: A new media-based cross-sectional analysis of public versus academic interest.

    Science.gov (United States)

    Borgmann, Hendrik; Salem, Johannes; Baunacke, Martin; Boehm, Katharina; Groeben, Christer; Schmid, Marianne; Siegel, Fabian P; Huber, Johannes

    2018-05-01

    To quantify public and academic interest in the urological field using a novel new media-based methodology. We systematically measured public and academic interest in 56 urological keywords and combined in nine subspecialties. Public interest was quantified as video views on YouTube. Academic interest was quantified as article citations using Microsoft Academic Search. The public-to-academic interest ratio was calculated for a comparison of subspecialties as well as for diseases and treatments. For the selected 56 urological keywords, we found 226 617 591 video views on YouTube and 2 146 287 citations in the academic literature. The public-to-academic interest ratio was highest for the subspecialties robotic urology (ratio 6.3) and andrological urology (ratio 4.6). Prostate cancer was the central urological disease combining both a high public (20% of all video views) and academic interest (26% of all citations, ratio 0.8). Further diseases/treatments of high public interest were premature ejaculation (ratio 54.4), testicular cancer (ratio 11.4), erectile dysfunction (ratio 5.5) and kidney transplant (ratio 3.7). Urological treatments had a higher public-to-academic interest ratio (median ratio 0.25) than diseases (median ratio 0.05; P = 0.029). A quantification of academic and public interest in the urological field is feasible using a novel new media-based methodology. We found several mismatches in public versus academic interest in urological diseases and treatments, which has implications for research strategies, conference planning and patient information projects. Regular re-assessments of the public and academic interest landscape can contribute to detecting and proving trends in the field of urology. © 2018 The Japanese Urological Association.

  11. Incorporating interspecific competition into species-distribution mapping by upward scaling of small-scale model projections to the landscape.

    Directory of Open Access Journals (Sweden)

    Mark Baah-Acheamfour

    Full Text Available There are a number of overarching questions and debate in the scientific community concerning the importance of biotic interactions in species distribution models at large spatial scales. In this paper, we present a framework for revising the potential distribution of tree species native to the Western Ecoregion of Nova Scotia, Canada, by integrating the long-term effects of interspecific competition into an existing abiotic-factor-based definition of potential species distribution (PSD. The PSD model is developed by combining spatially explicit data of individualistic species' response to normalized incident photosynthetically active radiation, soil water content, and growing degree days. A revised PSD model adds biomass output simulated over a 100-year timeframe with a robust forest gap model and scaled up to the landscape using a forestland classification technique. To demonstrate the method, we applied the calculation to the natural range of 16 target tree species as found in 1,240 provincial forest-inventory plots. The revised PSD model, with the long-term effects of interspecific competition accounted for, predicted that eastern hemlock (Tsuga canadensis, American beech (Fagus grandifolia, white birch (Betula papyrifera, red oak (Quercus rubra, sugar maple (Acer saccharum, and trembling aspen (Populus tremuloides would experience a significant decline in their original distribution compared with balsam fir (Abies balsamea, black spruce (Picea mariana, red spruce (Picea rubens, red maple (Acer rubrum L., and yellow birch (Betula alleghaniensis. True model accuracy improved from 64.2% with original PSD evaluations to 81.7% with revised PSD. Kappa statistics slightly increased from 0.26 (fair to 0.41 (moderate for original and revised PSDs, respectively.

  12. Analysis of Solar Energy Generation Capacity Using Hesitant Fuzzy Cognitive Maps

    Directory of Open Access Journals (Sweden)

    Veysel Coban

    2017-01-01

    Full Text Available Solar energy is an important and reliable source of energy. Better understanding the concepts and relationships of the factors that affect solar energy generation capacity can enhance the usage of solar energy. This understanding can lead investors and governors in their solar power investments. However, solar power generation process is complicated, and the relations among the factors are vague and hesitant. In this paper, a hesitant fuzzy cognitive map for solar energy generation is developed and used for modeling and analyzing the ambiguous relations. The concepts and the relationships among them are defined by using expertsr opinions. Different scenarios are formed and evaluated with the proposed model.

  13. U.S. Virgin Islands Energy Road Map: Analysis

    Energy Technology Data Exchange (ETDEWEB)

    Lantz, E.; Olis, D.; Warren, A.

    2011-09-01

    This report lays out the strategy envisioned by the stakeholders in the U.S. Virgin Islands, U.S. Department of Energy, and U.S. Department of Interior to achieve the ambitious goal of achieving a 60% reduction in business-as-usual fossil fuel demand by 2025 (60x25) within the electricity sector. This work and supporting analysis provides a framework within which decisions can begin to be made, a concrete vision of what the future might hold, and a guide to determine what questions should follow.

  14. Free energy landscape of siRNA-polycation complexation: Elucidating the effect of molecular geometry, polymer flexibility, and charge neutralization.

    Directory of Open Access Journals (Sweden)

    Gianvito Grasso

    Full Text Available The success of medical threatments with DNA and silencing interference RNA is strongly related to the design of efficient delivery technologies. Cationic polymers represent an attractive strategy to serve as nucleic-acid carriers with the envisioned advantages of efficient complexation, low cost, ease of production, well-defined size, and low polydispersity index. However, the balance between efficacy and toxicity (safety of these polymers is a challenge and in need of improvement. With the aim of designing more effective polycationic-based gene carriers, many parameters such as carrier morphology, size, molecular weight, surface chemistry, and flexibility/rigidity ratio need to be taken into consideration. In the present work, the binding mechanism of three cationic polymers (polyarginine, polylysine and polyethyleneimine to a model siRNA target is computationally investigated at the atomistic level. In order to better understand the polycationic carrier-siRNA interactions, replica exchange molecular dynamic simulations were carried out to provide an exhaustive exploration of all the possible binding sites, taking fully into account the siRNA flexibility together with the presence of explicit solvent and ions. Moreover, well-tempered metadynamics simulations were employed to elucidate how molecular geometry, polycation flexibility, and charge neutralization affect the siRNA-polycations free energy landscape in term of low-energy binding modes and unbinding free energy barriers. Significant differences among polymer binding modes have been detected, revealing the advantageous binding properties of polyarginine and polylysine compared to polyethyleneimine.

  15. Efficient sampling over rough energy landscapes with high barriers: A combination of metadynamics with integrated tempering sampling

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Y. Isaac [Institute of Theoretical and Computational Chemistry, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China); Zhang, Jun; Che, Xing; Yang, Lijiang; Gao, Yi Qin, E-mail: gaoyq@pku.edu.cn [Institute of Theoretical and Computational Chemistry, College of Chemistry and Molecular Engineering, Peking University, Beijing 100871 (China); Biodynamic Optical Imaging Center, Peking University, Beijing 100871 (China)

    2016-03-07

    In order to efficiently overcome high free energy barriers embedded in a complex energy landscape and calculate overall thermodynamics properties using molecular dynamics simulations, we developed and implemented a sampling strategy by combining the metadynamics with (selective) integrated tempering sampling (ITS/SITS) method. The dominant local minima on the potential energy surface (PES) are partially exalted by accumulating history-dependent potentials as in metadynamics, and the sampling over the entire PES is further enhanced by ITS/SITS. With this hybrid method, the simulated system can be rapidly driven across the dominant barrier along selected collective coordinates. Then, ITS/SITS ensures a fast convergence of the sampling over the entire PES and an efficient calculation of the overall thermodynamic properties of the simulation system. To test the accuracy and efficiency of this method, we first benchmarked this method in the calculation of ϕ − ψ distribution of alanine dipeptide in explicit solvent. We further applied it to examine the design of template molecules for aromatic meta-C—H activation in solutions and investigate solution conformations of the nonapeptide Bradykinin involving slow cis-trans isomerizations of three proline residues.

  16. Mapping Project on Energy and the Social Sciences. Progress report, October 1, 1978-June 30, 1979

    Energy Technology Data Exchange (ETDEWEB)

    Walker, C.A.; Doob, L.W.; Gould, L.C.

    1979-01-01

    This is a progress report of activities in the fourth year of the Yale Institution for Social and Policy Studies Mapping Project on Energy and the Social Sciences. The Mapping Project evaluates past and present social and behavioral science energy studies, assesses the potential for social and behavioral science contributions to a resolution of the energy problems in the future, and diffuses social and behavioral science information and perspectives to policymakers and others concerned with US or world energy developments. Activities in FY 1979 included meetings, workshops, collecting bibliographic material, publications, evaluating DOE programs in buildings and transportation, performing a special study of potential social impacts of 4 coal technologies, and developing plans for 10 specific research studies on energy.

  17. Cellular network entropy as the energy potential in Waddington's differentiation landscape

    Science.gov (United States)

    Banerji, Christopher R. S.; Miranda-Saavedra, Diego; Severini, Simone; Widschwendter, Martin; Enver, Tariq; Zhou, Joseph X.; Teschendorff, Andrew E.

    2013-01-01

    Differentiation is a key cellular process in normal tissue development that is significantly altered in cancer. Although molecular signatures characterising pluripotency and multipotency exist, there is, as yet, no single quantitative mark of a cellular sample's position in the global differentiation hierarchy. Here we adopt a systems view and consider the sample's network entropy, a measure of signaling pathway promiscuity, computable from a sample's genome-wide expression profile. We demonstrate that network entropy provides a quantitative, in-silico, readout of the average undifferentiated state of the profiled cells, recapitulating the known hierarchy of pluripotent, multipotent and differentiated cell types. Network entropy further exhibits dynamic changes in time course differentiation data, and in line with a sample's differentiation stage. In disease, network entropy predicts a higher level of cellular plasticity in cancer stem cell populations compared to ordinary cancer cells. Importantly, network entropy also allows identification of key differentiation pathways. Our results are consistent with the view that pluripotency is a statistical property defined at the cellular population level, correlating with intra-sample heterogeneity, and driven by the degree of signaling promiscuity in cells. In summary, network entropy provides a quantitative measure of a cell's undifferentiated state, defining its elevation in Waddington's landscape. PMID:24154593

  18. Integration of ecological and thermodynamic concepts in the design of sustainable energy landscapes

    NARCIS (Netherlands)

    Stremke, S.; Koh, J.

    2011-01-01

    Resource depletion and climate change motivate a transition to sustainable energy systems that make effective use of renewable sources. Whereas nature presents strategies to sustain on the basis of renewables, the Laws of Thermodynamics can help to increase efficiency in energy use. In previous

  19. [Landscape classification: research progress and development trend].

    Science.gov (United States)

    Liang, Fa-Chao; Liu, Li-Ming

    2011-06-01

    Landscape classification is the basis of the researches on landscape structure, process, and function, and also, the prerequisite for landscape evaluation, planning, protection, and management, directly affecting the precision and practicability of landscape research. This paper reviewed the research progress on the landscape classification system, theory, and methodology, and summarized the key problems and deficiencies of current researches. Some major landscape classification systems, e. g. , LANMAP and MUFIC, were introduced and discussed. It was suggested that a qualitative and quantitative comprehensive classification based on the ideology of functional structure shape and on the integral consideration of landscape classification utility, landscape function, landscape structure, physiogeographical factors, and human disturbance intensity should be the major research directions in the future. The integration of mapping, 3S technology, quantitative mathematics modeling, computer artificial intelligence, and professional knowledge to enhance the precision of landscape classification would be the key issues and the development trend in the researches of landscape classification.

  20. The Evolving Landscape of Healthcare-Associated Infections: Recent Advances in Prevention and a Road Map for Research

    Science.gov (United States)

    Safdar, Nasia; Anderson, Deverick J.; Braun, Barbara I.; Carling, Philip; Cohen, Stuart; Donskey, Curtis; Drees, Marci; Harris, Anthony; Henderson, David K.; Huang, Susan S.; Juthani-Mehta, Manisha; Lautenbach, Ebbing; Linkin, Darren R.; Meddings, Jennifer; Miller, Loren G.; Milstone, Aaron; Morgan, Daniel; Sengupta, Sharmila; Varman, Meera; Yokoe, Deborah; Zerr, Danielle M.

    2014-01-01

    This white paper identifies knowledge gaps and new challenges in healthcare epidemiology research, assesses the progress made toward addressing research priorities, provides the Society for Healthcare Epidemiology of America (SHEA) Research Committee’s recommendations for high-priority research topics, and proposes a road map for making progress toward these goals. It updates the 2010 SHEA Research Committee document, “Charting the Course for the Future of Science in Healthcare Epidemiology: Results of a Survey of the Membership of SHEA,” which called for a national approach to healthcare-associated infections (HAIs) and a prioritized research agenda. This paper highlights recent studies that have advanced our understanding of HAIs, the establishment of the SHEA Research Network as a collaborative infrastructure to address research questions, prevention initiatives at state and national levels, changes in reporting and payment requirements, and new patterns in antimicrobial resistance. PMID:24709716

  1. Jointly optimizing selection of fuel treatments and siting of forest biomass-based energy production facilities for landscape-scale fire hazard reduction.

    Science.gov (United States)

    Peter J. Daugherty; Jeremy S. Fried

    2007-01-01

    Landscape-scale fuel treatments for forest fire hazard reduction potentially produce large quantities of material suitable for biomass energy production. The analytic framework FIA BioSum addresses this situation by developing detailed data on forest conditions and production under alternative fuel treatment prescriptions, and computes haul costs to alternative sites...

  2. Thermodynamic properties of a solid exhibiting the energy spectrum given by the logistic map

    International Nuclear Information System (INIS)

    Curado, E.M.F.

    2000-05-01

    We show that the infinite-dimensional representation of the recently introduced Logistic algebra can be interpreted as a non-trivial generalization of the Heisenberg or oscillator algebra. This allows to construct a quantum Hamiltonian having the energy energy spectrum given by the logistic map. We analyze the Hamiltonian of a solid whose collective modes of vibrations are described by this generalized oscillator and compute the thermodynamic properties of the model in the two-cycle and γ3.6785 chaotic region of the logistic map. (author)

  3. Role of Neyveli lignite in the energy map of India

    Energy Technology Data Exchange (ETDEWEB)

    Srinivasaraghavan, S

    1984-08-01

    For more than two decades, about 35% of the energy demand of Tamil Nadu, a region of southern India, has been provided by Neyveli Lignite Corporation (NLC). NLC was founded as a company by the Indian government in 1956 and it comprises a lignite mine, a thermal power station, a briquetting and carbonisation plant; a fertilizer plant, a process steam plant, and a clay washing plant. The extent of the Neyveli lignite field, the production capacity of the three mines, and the linkage and utilisation of lignite are all considered. Future perspective plans beyond the seventh five year plan are reviewed. The use of coke and fertilizer by the chemical industries is outlined, and ecology and environmental control are discussed.

  4. Cowichan Valley energy mapping and modelling. Report 3 - Analysis of potentially applicable distributed energy opportunities. Final report. [Vancouver Island, Canada

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2012-06-15

    The driving force behind the Integrated Energy Mapping and Analysis project was the identification and analysis of a suite of pathways that the Cowichan Valley Regional District (CVRD) can utilise to increase its energy resilience, as well as reduce energy consumption and GHG emissions, with a primary focus on the residential sector. Mapping and analysis undertaken will support provincial energy and GHG reduction targets, and the suite of pathways outlined will address a CVRD internal target that calls for 75% of the region's energy within the residential sector to come from locally sourced renewables by 2050. The target has been developed as a mechanism to meet resilience and climate action target. The maps and findings produced are to be integrated as part of a regional policy framework currently under development. The third task built upon the findings of the previous two and undertook an analysis of potentially applicable distributed energy opportunities. These opportunities were analysed given a number of different parameters, which were decided upon in consultation with the CVRD. The primary output of this task was a series of cost figures for the various technologies, thus allowing comparison on a cents/kWh basis. All of the cost figures from this task have been entered into a tailor made Excel model. This 'technology cost' model is linked to the Excel scenario model utilised in task 4. As a result, as technology costs change, they can be updated accordingly and be reflected in the scenarios. Please note, that the technologies considered at present in the technology cost model are well-proven technologies, available in the market today, even though the output is being used for an analysis of development until 2050. Task 3 results are detailed in this report and both presents an initial screening for various local renewable energies, and provides the CVRD with the means of evaluating the costs and benefits of local energy productions versus

  5. Energy landscapes of nucleophilic substitution reactions: a comparison of density functional theory and coupled cluster methods

    NARCIS (Netherlands)

    Swart, M.; Sola, M.; Bickelhaupt, F.M.

    2007-01-01

    We have carried out a detailed evaluation of the performance of all classes of density functional theory (DFT) for describing the potential energy surface (PES) of a wide range of nucleophilic substitution (S

  6. Competitive landscape of the EU’s insulation materials industry for energy-efficient buildings

    OpenAIRE

    PAVEL CLAUDIU; BLAGOEVA DARINA

    2017-01-01

    Insulation materials could contribute significantly to improving the overall energy efficiency and sustainability of the buildings, especially by reducing the energy losses through the building envelope (walls, roofs, floors, etc.). The global demand for thermal insulation materials in building applications is projected to increase at a CAGR of 4.5 % between 2016 and 2027. In the EU the demand for thermal insulation materials is estimated at 3.48 % (2015-2027). Wool minerals (glass and stone ...

  7. Energy potential mapping : Visualising energy characteristics for the exergetic optimisation of the built environment

    NARCIS (Netherlands)

    Broersma, S.; Fremouw, M.A.; Van den Dobbelsteen, A.A.J.F.

    2013-01-01

    It is difficult to fully satisfy the energy demand of today’s society with renewables. Nevertheless, most of the energy we use is lost as non-functional waste energy, whereas a large part of the built environment’s energy demand is only for low-quality energy, so the initial demand for primary,

  8. Development of Energy Efficiency Design Map based on acoustic resonance frequency of suction muffler in compressor

    International Nuclear Information System (INIS)

    Oh, Seungjae; Wang, Semyung; Cho, Sungman

    2015-01-01

    Highlights: • Development of Energy Efficiency Design Map. • Experimental validation of Energy Efficiency Design Map. • Suggestion regarding the Acoustically Supercharged Energy Efficiency. • Sensitivity analysis of the Energy Efficiency Ratio with respect to acoustic pressure. • Suggestion regarding the hybrid coupling method for acoustic analysis in compressor. - Abstract: The volumetric efficiency of the Internal Combustion (IC) engine and compressor can be increased by properly adjusting the acoustic resonance frequency of the suction muffler or the suction valve timing without any additional equipment or power source. This effect is known as acoustic supercharging. However, the energy efficiency has become more important than the volumetric efficiency because of the energy shortage issue and factors influencing consumers’ purchasing decisions. Therefore, methods for increasing the energy efficiency using the acoustic effect in the suction part of IC engine and compressor should be considered. In this study, a systematic method for improving the energy efficiency using the acoustic effect in the suction part of the compressor used in refrigerators and air conditioners was developed for the first time. This effect is named as the Acoustically Supercharged Energy Efficiency (ASEE). For the ASEE, first, a hybrid coupling method was suggested for the acoustical analysis in the suction part of the compressor. Next, an Energy Efficiency Design Map (EEDM) was proposed. This can serve as a design guide for suction mufflers in terms of the energy efficiency. Finally, sensitivity analyses of the Energy Efficiency Ratio (EER) and total massflow rate with respect to the acoustic pressure were conducted to identify the relationship between the acoustic pressure and the suction valve motion. This provides the physical background for the EEDM

  9. The Resource Mapping Algorithm of Wireless Virtualized Networks for Saving Energy in Ultradense Small Cells

    Directory of Open Access Journals (Sweden)

    Sai Zou

    2015-01-01

    Full Text Available As the current network is designed for peak loads, it results in insufficient resource utilization and energy waste. Virtualized technology makes it possible that intelligent energy perception network could be deployed and resource sharing could become an effective energy saving technology. How to make more small cells into sleeping state for energy saving in ultradense small cell system has become a research hot spot. Based on the mapping feature of virtualized network, a new wireless resource mapping algorithm for saving energy in ultradense small cells has been put forward when wireless resource amount is satisfied in every small cell. First of all, the method divides the virtual cells. Again through the alternate updating between small cell mapping and wireless resource allocation, least amount of small cells is used and other small cells turn into sleeping state on the premise of guaranteeing users’ QoS. Next, the energy consumption of the wireless access system, wireless resource utilization, and the convergence of the proposed algorithm are analyzed in theory. Finally, the simulation results demonstrate that the algorithm can effectively reduce the system energy consumption and required wireless resource amount under the condition of satisfying users’ QoS.

  10. Ratchet Effects and Domain Wall Energy Landscapes in Amorphous Magnetic Films with 2D Arrays of Asymmetric Holes

    Science.gov (United States)

    Martin, J. I.; Alija, A.; Sobrado, I.; Perez-Junquera, A.; Rodriguez-Rodriguez, G.; Velez, M.; Alameda, J. M.; Marconi, V. I.; Kolton, A. B.; Parrondo, J. M. R.

    2009-03-01

    The driven motion of domain walls in extended magnetic films patterned with 2D arrays of asymmetric holes has been found to be subject to two different crossed ratchet effects [1] which results in an inversion of the sign of domain wall motion rectification as a function of the applied magnetic field. This effect can be understood in terms of the competition between drive, elasticity and asymmetric pinning as revealed by a simple 4̂-model. In order to optimize the asymmetric hole design, the relevant energy landscapes for domain wall motion across the array of asymmetric holes have been calculated by micromagnetic simulations as a function of array geometrical characteristics. The effects of a transverse magnetic field on these two crossed ratchet effects will also be discussed in terms of the decrease in domain wall energy per unit area and of the modifications in the magnetostatic barriers for domain wall pinning at the asymmetric inclusions. Work supported by Spanish MICINN.[1] A. Perez-Junquera et al, Phys. Rev. Lett. 100 (2008) 037203

  11. Renewable energy: GIS-based mapping and modelling of potentials and demand

    Science.gov (United States)

    Blaschke, Thomas; Biberacher, Markus; Schardinger, Ingrid.; Gadocha, Sabine; Zocher, Daniela

    2010-05-01

    Worldwide demand of energy is growing and will continue to do so for the next decades to come. IEA has estimated that global primary energy demand will increase by 40 - 50% from 2003 to 2030 (IEA, 2005) depending on the fact whether currently contemplated energy policies directed towards energy-saving and fuel-diversification will be effectuated. The demand for Renewable Energy (RE) is undenied but clear figures and spatially disaggregated potentials for the various energy carriers are very rare. Renewable Energies are expected to reduce pressures on the environment and CO2 production. In several studies in Germany (North-Rhine Westphalia and Lower Saxony) and Austria we studied the current and future pattern of energy production and consumption. In this paper we summarize and benchmark different RE carriers, namely wind, biomass (forest and non-forest, geothermal, solar and hydro power. We demonstrate that GIS-based scalable and flexible information delivery sheds new light on the prevailing metaphor of GIS as a processing engine serving needs of users more on demand rather than through ‘maps on stock'. We compare our finding with those of several energy related EU-FP7 projects in Europe where we have been involved - namely GEOBENE, REACCESS, ENERGEO - and demonstrate that more and more spatial data will become available together with tools that allow experts to do their own analyses and to communicate their results in ways which policy makers and the public can readily understand and use as a basis for their own actions. Geoportals in combination with standardised geoprocessing today supports the older vision of an automated presentation of data on maps, and - if user privileges are given - facilities to interactively manipulate these maps. We conclude that the most critical factor in modelling energy supply and demand remain the economic valuation of goods and services, especially the forecast of future end consumer energy costs.

  12. Sub-seasonal thaw slump mass wasting is not consistently energy limited at the landscape scale

    Directory of Open Access Journals (Sweden)

    S. Zwieback

    2018-02-01

    Full Text Available Predicting future thaw slump activity requires a sound understanding of the atmospheric drivers and geomorphic controls on mass wasting across a range of timescales. On sub-seasonal timescales, sparse measurements indicate that mass wasting at active slumps is often limited by the energy available for melting ground ice, but other factors such as rainfall or the formation of an insulating veneer may also be relevant. To study the sub-seasonal drivers, we derive topographic changes from single-pass radar interferometric data acquired by the TanDEM-X satellites. The estimated elevation changes at 12 m resolution complement the commonly observed planimetric retreat rates by providing information on volume losses. Their high vertical precision (around 30 cm, frequent observations (11 days and large coverage (5000 km2 allow us to track mass wasting as drivers such as the available energy change during the summer of 2015 in two study regions. We find that thaw slumps in the Tuktoyaktuk coastlands, Canada, are not energy limited in June, as they undergo limited mass wasting (height loss of around 0 cm day−1 despite the ample available energy, suggesting the widespread presence of early season insulating snow or debris veneer. Later in summer, height losses generally increase (around 3 cm day−1, but they do so in distinct ways. For many slumps, mass wasting tracks the available energy, a temporal pattern that is also observed at coastal yedoma cliffs on the Bykovsky Peninsula, Russia. However, the other two common temporal trajectories are asynchronous with the available energy, as they track strong precipitation events or show a sudden speed-up in late August respectively. The observed temporal patterns are poorly related to slump characteristics like the headwall height. The contrasting temporal behaviour of nearby thaw slumps highlights the importance of complex local and temporally varying controls on mass wasting.

  13. Evapotranspiration and surface energy balance across an agricultural-urban landscape gradient in Southern California, USA.

    Science.gov (United States)

    Shiflett, S. A.; Anderson, R. G.; Jenerette, D.

    2014-12-01

    Urbanization substantially affects energy, surface and air temperature, and hydrology due to extensive modifications in land surface properties such as vegetation, albedo, thermal capacity and soil moisture. The magnitude and direction of these alterations depends heavily on the type of urbanization that occurs. We investigated energy balance variation in a local network of agricultural and urban ecosystems using the eddy covariance method to better understand how vegetation fraction and degree of urbanization affects energy exchanges between the land surface and the atmosphere. We deployed eddy flux systems within a well-irrigated, agricultural citrus orchard, a moderately developed urban zone with a substantial amount of local vegetative cover, and an intensely developed urban zone with minimal vegetative cover and increased impervious surfaces relative to the other two sites. Latent energy (LE) fluxes in the agricultural area ranged from 7.9 ± 1.4 W m-2 (nighttime) to 168.7 ± 6.2 W m-2 (daytime) compared to 10.2 ± 3.5 W m-2 and 40.6 ± 4.1 W m-2, respectively, for the moderately developed urban area. Sensible energy (H) fluxes ranged from -9.1 ± 1.0 W m-2 (nighttime) to 119 ± 7.0 W m-2 (daytime) in the agricultural area compared to 9.6 ± 2.6 W m-2 and 134 ± 6.0 W m-2, respectively, for the moderately developed urban zone. Daytime LE is reduced with increasing urbanization; however, daily cycles of LE are less recognizable in urban areas compared to distinct daily cycles obtained above a mature citrus crop. In contrast, both daytime and nighttime H increases with increasing degree of urbanization. Reduction in vegetation and increases in impervious surfaces along an urbanization gradient leads to alterations in energy balance, which are associated with microclimate and water use changes.

  14. The multi-state energy landscape of the SAM-I riboswitch: A single-molecule Förster resonance energy transfer spectroscopy study

    Science.gov (United States)

    Manz, Christoph; Kobitski, Andrei Yu.; Samanta, Ayan; Jäschke, Andres; Nienhaus, G. Ulrich

    2018-03-01

    RNA (ribonucleic acid) molecules are highly flexible biopolymers fluctuating at physiological temperatures among many different conformations that are represented by minima in a hierarchical conformational free energy landscape. Here we have employed single-molecule FRET (smFRET) to explore the energy landscape of the B. subtilis yitJ SAM-I riboswitch (RS). In this small RNA molecule, specific binding of an S-adenosyl-L-methionine (SAM) ligand in the aptamer domain regulates gene expression by inducing structural changes in another domain, the expression platform, causing transcription termination by the RNA polymerase. We have measured smFRET histograms over wide ranges of Mg2+ concentration for three RS variants that were specifically labeled with fluorescent dyes on different sites. In the analysis, different conformations are associated with discrete Gaussian model distributions, which are typically fairly broad on the FRET efficiency scale and thus can be extremely challenging to unravel due to their mutual overlap. Our earlier work on two SAM-I RS variants revealed four major conformations. By introducing a global fitting procedure which models both the Mg2+ concentration dependencies of the fractional populations and the average FRET efficiencies of the individual FRET distributions according to Mg2+ binding isotherms, we were able to consistently describe the histogram data of both variants at all studied Mg2+ concentrations. With the third FRET-labeled variant, however, we found significant deviations when applying the four-state model to the data. This can arise because the different FRET labeling of the new variant allows two states to be distinguished that were previously not separable due to overlap. Indeed, the resulting five-state model presented here consistently describes the smFRET histograms of all three variants as well as their variations with Mg2+ concentration. We also performed a triangulation of the donor position for two of the constructs

  15. Navigating the new deregulated landscape: Opportunities and risks for wind energy

    Energy Technology Data Exchange (ETDEWEB)

    Fossum, D.J.; Hill, D.R. [Wiley, Rein & Fielding, Washington, DC (United States)

    1997-12-31

    Major changes in the law governing the electric industry are underway, fundamentally altering how the generation and sale of electric power is regulated and how electric power is marketed in the United States. Legislative and regulatory initiatives promoting competition will create a variety of opportunities, and commensurate risks, for power generators, marketers, brokers, sellers, and purchasers. To succeed in the new marketplace, suppliers of renewable energy must understand the changes occurring on the state and federal levels, and position themselves to take advantage of the opportunities available. In this environment, monitoring and participating in state and federal legislative and regulatory efforts will be crucial for maximizing opportunities for wind energy.

  16. Charting the energy landscape of metal/organic interfaces via machine learning

    Science.gov (United States)

    Scherbela, Michael; Hörmann, Lukas; Jeindl, Andreas; Obersteiner, Veronika; Hofmann, Oliver T.

    2018-04-01

    The rich polymorphism exhibited by inorganic/organic interfaces is a major challenge for materials design. In this work, we present a method to efficiently explore the potential energy surface and predict the formation energies of polymorphs and defects. This is achieved by training a machine learning model on a list of only 100 candidate structures that are evaluated via dispersion-corrected density functional theory (DFT) calculations. We demonstrate the power of this approach for tetracyanoethylene on Ag(100) and explain the anisotropic ordering that is observed experimentally.

  17. THE LANDSCAPE OF THE NEUTRINO MECHANISM OF CORE-COLLAPSE SUPERNOVAE: NEUTRON STAR AND BLACK HOLE MASS FUNCTIONS, EXPLOSION ENERGIES, AND NICKEL YIELDS

    International Nuclear Information System (INIS)

    Pejcha, Ondřej; Thompson, Todd A.

    2015-01-01

    If the neutrino luminosity from the proto-neutron star formed during a massive star core collapse exceeds a critical threshold, a supernova (SN) results. Using spherical quasi-static evolutionary sequences for hundreds of progenitors over a range of metallicities, we study how the explosion threshold maps onto observables, including the fraction of successful explosions, the neutron star (NS) and black hole (BH) mass functions, the explosion energies (E SN ) and nickel yields (M Ni ), and their mutual correlations. Successful explosions are intertwined with failures in a complex pattern that is not simply related to initial progenitor mass or compactness. We predict that progenitors with initial masses of 15 ± 1, 19 ± 1, and ∼21-26 M ☉ are most likely to form BHs, that the BH formation probability is non-zero at solar-metallicity and increases significantly at low metallicity, and that low luminosity, low Ni-yield SNe come from progenitors close to success/failure interfaces. We qualitatively reproduce the observed E SN -M Ni correlation, we predict a correlation between the mean and width of the NS mass and E SN distributions, and that the means of the NS and BH mass distributions are correlated. We show that the observed mean NS mass of ≅ 1.33 M ☉ implies that the successful explosion fraction is higher than 0.35. Overall, we show that the neutrino mechanism can in principle explain the observed properties of SNe and their compact objects. We argue that the rugged landscape of progenitors and outcomes mandates that SN theory should focus on reproducing the wide ranging distributions of observed SN properties

  18. WEC Europe - Road Map Towards a Competitive Energy Market

    International Nuclear Information System (INIS)

    Lundberg, G.

    2009-01-01

    G. Lundberg, the chair of regional task force presented the final draft report. The main conclusions and recommendations that the study has provided may be resumed as follows: 1) The creation of single European electricity market should be initiated with the formation of a core-European market by merging at first, two of the existing more advanced markets, in term of liberalization and effective operation, namely the Nordic and the Central Western European one. Thus, it will include 10 countries (Austria, Belgium, Denmark, Finland, France, Germany, Luxembourg, the Netherlands, Norway and Sweden) representing more than 50% of the EU-29 (plus Norway + Switzerland) electricity generation. Then, it would likely become attractive for joining by other currently fragmented European markets. The formation of the new core-European market should start immediately despite the current recession and it should be designed in a flexible frame, in order to ease the accommodation of the remaining markets; 2) The so-created core-European initial market will undoubtedly requires a set of common regional rules, to be elaborated in compliance with the third package provisions and the guidelines/market codes following the third package approval. Thus, it will provide a model for the remaining isolated markets, to be subsequently integrated. In this regulatory process, all the stake holders (power industry, TSO, regulators, consumers, related national and EU-bodies) must be involved, with a purpose to providing a practical input and thus, to minimize potential frictions, during the implementation phase; 3) The grid development in Europe is the key challenge to promote more competition and in particular, to accommodate the targeted 20% of electricity increases from renewable energy sources, by 2020. For this purpose, what ENTSO is preparing for the grid development and extension by 2020 is of primary importance. Crucial for the success of this plan will be how efficient would be the

  19. Dissipation of solar energy in landscape - controlled by management of water and vegetation

    Czech Academy of Sciences Publication Activity Database

    Pokorný, Jan

    2001-01-01

    Roč. 24, - (2001), s. 641-645 ISSN 0960-1481 R&D Projects: GA AV ČR KSK6005114 Institutional research plan: CEZ:AV0Z6005908 Keywords : Solar energy dissipation * vegetation * production -evapotranspiration Subject RIV: DA - Hydrology ; Limnology Impact factor: 0.224, year: 2001

  20. Potential energy landscape signatures of slow dynamics in glass forming liquids

    DEFF Research Database (Denmark)

    Sastry, S.; Debenedetti, P. G.; Stillinger, F. H.

    1999-01-01

    We study the properties of local potential energy minima (‘inherent structures’) sampled by liquids at low temperatures as an approach to elucidating the mechanisms of the observed dynamical slowing down observed as the glass transition temperature is approached. This onset of slow dynamics...

  1. Addressing the trade-climate change-energy nexus: China's explorations in a global governance landscape

    Directory of Open Access Journals (Sweden)

    Joachim Monkelbaan

    2014-12-01

    As a way forward, different approaches towards the governance of trade and climate change will be highlighted. Besides discussing the specific aspects of Chinese participation in global trade and climate change governance, this paper aims at offering broader insights into the nexus between trade, energy and climate governance in China.

  2. Galaxy bias from the Dark Energy Survey Science Verification data: combining galaxy density maps and weak lensing maps

    Energy Technology Data Exchange (ETDEWEB)

    Chang, C.; Pujol, A.; Gaztañaga, E.; Amara, A.; Réfrégier, A.; Bacon, D.; Becker, M. R.; Bonnett, C.; Carretero, J.; Castander, F. J.; Crocce, M.; Fosalba, P.; Giannantonio, T.; Hartley, W.; Jarvis, M.; Kacprzak, T.; Ross, A. J.; Sheldon, E.; Troxel, M. A.; Vikram, V.; Zuntz, J.; Abbott, T. M. C.; Abdalla, F. B.; Allam, S.; Annis, J.; Benoit-Lévy, A.; Bertin, E.; Brooks, D.; Buckley-Geer, E.; Burke, D. L.; Capozzi, D.; Rosell, A. Carnero; Kind, M. Carrasco; Cunha, C. E.; D' Andrea, C. B.; da Costa, L. N.; Desai, S.; Diehl, H. T.; Dietrich, J. P.; Doel, P.; Eifler, T. F.; Estrada, J.; Evrard, A. E.; Flaugher, B.; Frieman, J.; Goldstein, D. A.; Gruen, D.; Gruendl, R. A.; Gutierrez, G.; Honscheid, K.; Jain, B.; James, D. J.; Kuehn, K.; Kuropatkin, N.; Lahav, O.; Li, T. S.; Lima, M.; Marshall, J. L.; Martini, P.; Melchior, P.; Miller, C. J.; Miquel, R.; Mohr, J. J.; Nichol, R. C.; Nord, B.; Ogando, R.; Plazas, A. A.; Reil, K.; Romer, A. K.; Roodman, A.; Rykoff, E. S.; Sanchez, E.; Scarpine, V.; Schubnell, M.; Sevilla-Noarbe, I.; Smith, R. C.; Soares-Santos, M.; Sobreira, F.; Suchyta, E.; Swanson, M. E. C.; Tarle, G.; Thomas, D.; Walker, A. R.

    2016-04-15

    We measure the redshift evolution of galaxy bias from a magnitude-limited galaxy sample by combining the galaxy density maps and weak lensing shear maps for a $\\sim$116 deg$^{2}$ area of the Dark Energy Survey (DES) Science Verification data. This method was first developed in Amara et al. (2012) and later re-examined in a companion paper (Pujol et al., in prep) with rigorous simulation tests and analytical treatment of tomographic measurements. In this work we apply this method to the DES SV data and measure the galaxy bias for a magnitude-limited galaxy sample. We find the galaxy bias and 1$\\sigma$ error bars in 4 photometric redshift bins to be 1.33$\\pm$0.18 (z=0.2-0.4), 1.19$\\pm$0.23 (z=0.4-0.6), 0.99$\\pm$0.36 ( z=0.6-0.8), and 1.66$\\pm$0.56 (z=0.8-1.0). These measurements are consistent at the 1-2$\\sigma$ level with mea- surements on the same dataset using galaxy clustering and cross-correlation of galaxies with CMB lensing. In addition, our method provides the only $\\sigma_8$-independent constraint among the three. We forward-model the main observational effects using mock galaxy catalogs by including shape noise, photo-z errors and masking effects. We show that our bias measurement from the data is consistent with that expected from simulations. With the forthcoming full DES data set, we expect this method to provide additional constraints on the galaxy bias measurement from more traditional methods. Furthermore, in the process of our measurement, we build up a 3D mass map that allows further exploration of the dark matter distribution and its relation to galaxy evolution.

  3. Energy landscapes shape microbial communities in hydrothermal systems on the Arctic Mid-Ocean Ridge

    OpenAIRE

    Dahle, H?kon; ?kland, Ingeborg; Thorseth, Ingunn H; Pederesen, Rolf B; Steen, Ida H

    2015-01-01

    Methods developed in geochemical modelling combined with recent advances in molecular microbial ecology provide new opportunities to explore how microbial communities are shaped by their chemical surroundings. Here, we present a framework for analyses of how chemical energy availability shape chemotrophic microbial communities in hydrothermal systems through an investigation of two geochemically different basalt-hosted hydrothermal systems on the Arctic Mid-Ocean Ridge: the Soria Moria Vent f...

  4. Landscapes of lost energy: counterfactual geographical imaginary for a more sustainable society

    Czech Academy of Sciences Publication Activity Database

    Van der Horst, Dan

    2014-01-01

    Roč. 22, č. 2 (2014), s. 66-72 ISSN 1210-8812 R&D Projects: GA MŠk EE2.3.20.0025 Institutional support: RVO:68145535 Keywords : counterfactual * imagery * imagination * energy literacy Subject RIV: DE - Earth Magnetism, Geodesy, Geography Impact factor: 0.872, year: 2014 http://www.geonika.cz/EN/research/ENMgr/MGR_2014_02.pdf

  5. Landscapes of Lost Energy: Counterfactual Geographical Imaginary for A More Sustainable Society

    Directory of Open Access Journals (Sweden)

    van der Horst Dan

    2014-07-01

    Full Text Available The quest for sustainable energy, one of the greatest challenges of the 21st century, calls for more input from academics than 'simply' producing good science. Geographical imaginations are as old as storytelling and mapmaking, but this essay is neither about 'long ago and far away', nor about utopian energy futures. This is a call to geographers to engage with 'alternative present' energy scenarios, using the full range of analytical and discursive tools at our disposal. Drawing on a diverse tradition of imagined spaces and the awareness of absences (material, relational or otherwise, geographers should be able to contribute to the quest for a more sustainable society by assessing, envisaging, and communicating a counterfactual 'here and now', based on good practices existing right now, but not (yet right here. We need to understand how much more sustainable our bit of the planet would be if we could just, environmentally speaking, 'keep up' with the best of our neighbours. This counterfactual present should be seen as neither radical nor utopian, because it only assumes the historic adoption of best practices which we now know to be feasible and successful. And if thi alternative current scenario looks radically different from the 'real' state we are in, then this goes to show how radically unsustainable our business-as-usual approach has been.

  6. RAAAF's office landscape The End of Sitting: Energy expenditure and temporary comfort when working in non-sitting postures.

    Directory of Open Access Journals (Sweden)

    Simone R Caljouw

    Full Text Available An earlier study suggested that the activity-inviting office landscape called "The End of Sitting", designed by Rietveld Architecture Art Affordances (RAAAF, should be considered as an alternative working environment to prevent sedentary behavior. The End of Sitting lacks chairs and tables but consists instead of a myriad of sloped surfaces at different heights that afford workers to stand, lean or recline at different locations. In this study, we assessed the impact of four of its workspaces on physical intensity, temporary comfort and productivity of office work and compared the outcomes with sitting and standing behind a desk. Twenty-four participants worked for 10 minutes in each of the six test conditions. Energy expenditure, measured by indirect calorimetry, and heart rate were recorded. Questionnaires were used to assess the perceived comfort. The number of words found in the word search test was counted as a measure of productivity. The majority of The End of Sitting workspaces led to a significant increase in energy expenditure compared with sitting behind a desk (ps < .05. Average MET values ranged from 1.40 to 1.58 which is a modest rise in energy expenditure compared to sitting (1.32 METs and not significantly different from standing (1.47 METs. The scores on the general comfort scale indicated that some workspaces were less comfortable than sitting (ps < .05, but the vast majority of participants reported that at least one of The End of Sitting workspaces was equally or more comfortable than sitting. No differences in productivity between the test conditions were found. Further long-term studies are required to assess the behavioral adaptations, productivity and the level of comfort when using The End of Sitting as a permanent office.

  7. Elucidation of the conformational free energy landscape in H.pylori LuxS and its implications to catalysis

    Directory of Open Access Journals (Sweden)

    Bhattacharyya Moitrayee

    2010-08-01

    Full Text Available Abstract Background One of the major challenges in understanding enzyme catalysis is to identify the different conformations and their populations at detailed molecular level in response to ligand binding/environment. A detail description of the ligand induced conformational changes provides meaningful insights into the mechanism of action of enzymes and thus its function. Results In this study, we have explored the ligand induced conformational changes in H.pylori LuxS and the associated mechanistic features. LuxS, a dimeric protein, produces the precursor (4,5-dihydroxy-2,3-pentanedione for autoinducer-2 production which is a signalling molecule for bacterial quorum sensing. We have performed molecular dynamics simulations on H.pylori LuxS in its various ligand bound forms and analyzed the simulation trajectories using various techniques including the structure network analysis, free energy evaluation and water dynamics at the active site. The results bring out the mechanistic details such as co-operativity and asymmetry between the two subunits, subtle changes in the conformation as a response to the binding of active and inactive forms of ligands and the population distribution of different conformations in equilibrium. These investigations have enabled us to probe the free energy landscape and identify the corresponding conformations in terms of network parameters. In addition, we have also elucidated the variations in the dynamics of water co-ordination to the Zn2+ ion in LuxS and its relation to the rigidity at the active sites. Conclusions In this article, we provide details of a novel method for the identification of conformational changes in the different ligand bound states of the protein, evaluation of ligand-induced free energy changes and the biological relevance of our results in the context of LuxS structure-function. The methodology outlined here is highly generalized to illuminate the linkage between structure and function in

  8. Wide-Field Lensing Mass Maps from Dark Energy Survey Science Verification Data.

    Science.gov (United States)

    Chang, C; Vikram, V; Jain, B; Bacon, D; Amara, A; Becker, M R; Bernstein, G; Bonnett, C; Bridle, S; Brout, D; Busha, M; Frieman, J; Gaztanaga, E; Hartley, W; Jarvis, M; Kacprzak, T; Kovács, A; Lahav, O; Lin, H; Melchior, P; Peiris, H; Rozo, E; Rykoff, E; Sánchez, C; Sheldon, E; Troxel, M A; Wechsler, R; Zuntz, J; Abbott, T; Abdalla, F B; Allam, S; Annis, J; Bauer, A H; Benoit-Lévy, A; Brooks, D; Buckley-Geer, E; Burke, D L; Capozzi, D; Carnero Rosell, A; Carrasco Kind, M; Castander, F J; Crocce, M; D'Andrea, C B; Desai, S; Diehl, H T; Dietrich, J P; Doel, P; Eifler, T F; Evrard, A E; Fausti Neto, A; Flaugher, B; Fosalba, P; Gruen, D; Gruendl, R A; Gutierrez, G; Honscheid, K; James, D; Kent, S; Kuehn, K; Kuropatkin, N; Maia, M A G; March, M; Martini, P; Merritt, K W; Miller, C J; Miquel, R; Neilsen, E; Nichol, R C; Ogando, R; Plazas, A A; Romer, A K; Roodman, A; Sako, M; Sanchez, E; Sevilla, I; Smith, R C; Soares-Santos, M; Sobreira, F; Suchyta, E; Tarle, G; Thaler, J; Thomas, D; Tucker, D; Walker, A R

    2015-07-31

    We present a mass map reconstructed from weak gravitational lensing shear measurements over 139  deg2 from the Dark Energy Survey science verification data. The mass map probes both luminous and dark matter, thus providing a tool for studying cosmology. We find good agreement between the mass map and the distribution of massive galaxy clusters identified using a red-sequence cluster finder. Potential candidates for superclusters and voids are identified using these maps. We measure the cross-correlation between the mass map and a magnitude-limited foreground galaxy sample and find a detection at the 6.8σ level with 20 arc min smoothing. These measurements are consistent with simulated galaxy catalogs based on N-body simulations from a cold dark matter model with a cosmological constant. This suggests low systematics uncertainties in the map. We summarize our key findings in this Letter; the detailed methodology and tests for systematics are presented in a companion paper.

  9. Reciprocal space mapping by spot profile analyzing low energy electron diffraction

    International Nuclear Information System (INIS)

    Meyer zu Heringdorf, Frank-J.; Horn-von Hoegen, Michael

    2005-01-01

    We present an experimental approach for the recording of two-dimensional reciprocal space maps using spot profile analyzing low energy electron diffraction (SPA-LEED). A specialized alignment procedure eliminates the shifting of LEED patterns on the screen which is commonly observed upon variation of the electron energy. After the alignment, a set of one-dimensional sections through the diffraction pattern is recorded at different energies. A freely available software tool is used to assemble the sections into a reciprocal space map. The necessary modifications of the Burr-Brown computer interface of the two Leybold and Omicron type SPA-LEED instruments are discussed and step-by-step instructions are given to adapt the SPA 4.1d software to the changed hardware. Au induced faceting of 4 deg. vicinal Si(001) is used as an example to demonstrate the technique

  10. Mapping the Energy Flow from Supply to End Use in three Geographic Regions of China

    DEFF Research Database (Denmark)

    Mischke, Peggy; Xiong, Weiming

    China's past economic development policies resulted in different energy infrastructure patterns across China. There is a long tradition in analysing and discussing regional disparities of China's economy. For more than 20 years, regional differences in GDP, industrial outputs, household income...... and consumption were analysed across China's provincial units. Regional disparities in China's current energy flow are rarely visualised and quantified from a comprehensive, system-wide perspective that is tracing all major fuels and energy carriers in supply, transformation and final end-use in different sectors....... A few national and provincial energy flow diagrams of China were developed since 2000, althoug with limited detail on major regional disparities and inter-regional fuel flows. No regional energy flow charts are yet available for East-, Central- and West-China. This study maps and quantifies energy...

  11. Spatial demographic models to inform conservation planning of golden eagles in renewable energy landscapes

    Science.gov (United States)

    Wiens, J. David; Schumaker, Nathan H.; Inman, Richard D.; Esque, Todd C.; Longshore, Kathleen M.; Nussear, Kenneth E

    2017-01-01

    Spatial demographic models can help guide monitoring and management activities targeting at-risk species, even in cases where baseline data are lacking. Here, we provide an example of how site-specific changes in land use and anthropogenic stressors can be incorporated into a spatial demographic model to investigate effects on population dynamics of Golden Eagles (Aquila chrysaetos). Our study focused on a population of Golden Eagles exposed to risks associated with rapid increases in renewable energy development in southern California, U.S.A. We developed a spatially explicit, individual-based simulation model that integrated empirical data on demography of Golden Eagles with spatial data on the arrangement of nesting habitats, prey resources, and planned renewable energy development sites. Our model permitted simulated eagles of different stage-classes to disperse, establish home ranges, acquire prey resources, prospect for breeding sites, and reproduce. The distribution of nesting habitats, prey resources, and threats within each individual's home range influenced movement, reproduction, and survival. We used our model to explore potential effects of alternative disturbance scenarios, and proposed conservation strategies, on the future distribution and abundance of Golden Eagles in the study region. Results from our simulations suggest that probable increases in mortality associated with renewable energy infrastructure (e.g., collisions with wind turbines and vehicles, electrocution on power poles) could have negative consequences for population trajectories, but that site-specific conservation actions could reduce the magnitude of negative effects. Our study demonstrates the use of a flexible and expandable modeling framework to incorporate spatially dependent processes when determining relative effects of proposed management options to Golden Eagles and their habitats.

  12. Dual energy CT iodine map for delineating inflammation of inflammatory arthritis

    Energy Technology Data Exchange (ETDEWEB)

    Fukuda, Takeshi; Fukuda, Kunihiko [The Jikei University School of Medicine, Department of Radiology, Tokyo (Japan); Umezawa, Yoshinori; Asahina, Akihiko; Nakagawa, Hidemi [The Jikei University School of Medicine, Department of Dermatology, Tokyo (Japan); Furuya, Kazuhiro [The Jikei University School of Medicine, Division of Rheumatology Department of Internal Medicine, Tokyo (Japan)

    2017-12-15

    Iodine mapping is an image-processing technique used with dual-energy computed tomography (DECT) to improve iodine contrast resolution. CT, because of its high spatial resolution and thin slice reconstruction, is well suited to the evaluation of the peripheral joints. Recent developments in the treatment of inflammatory arthritis that require early diagnosis and precise therapeutic assessment encourage radiological evaluation. To facilitate such assessment, we describe DECT iodine mapping as a novel modality for evaluating rheumatoid arthritis and psoriatic arthritis of the hands and feet. (orig.)

  13. Canvassing the Cyber Security Landscape: Why Energy Companies Need to Pay Attention

    OpenAIRE

    Averill, B.; Luiijf, H.A.M.

    2010-01-01

    Recent news of a “highly sophisticated and targeted” cyber attack on Google, Yahoo, and perhaps on as many as a dozen other companies has once again brought the issue of cyber security to the top of the news. Internet companies, however, are not the only ones vulnerable to such attacks. Over the past decade, a series of events has highlighted the vulnerability of the electric grid and other energy infrastructures to both cyber disruptions (due, e.g., to malware) and from outside attacks using...

  14. The market of energy storage. Stakes and perspectives by 2020 - Analysis of the competitive landscape

    International Nuclear Information System (INIS)

    2013-01-01

    Within a context of lack of regulatory framework, of existence of technological deadlocks, and of absence of any defined business model, this publication reports a study of the emerging market of energy storage. It examines the role public authorities can play to promote investments in this sector, what are the opportunities for operators, and which are the perspectives on the middle term for the French market. In order to highlight recent and future evolutions of stationary and embarked storage, the authors propose an analysis of the main market growth drivers and brakes, a focus on the impact of regulatory, legal, economic, tax-related, technological, and social-cultural factors on sector stakeholders. They also propose an overview of the market status for the cases of stationary and embarked storage, and of the main challenges for these both segments. A panorama of existing actors is given with an analysis of their position, strengths and weaknesses, and of the main axis of development for 4 categories of actors (industries, battery manufacturers, energy operators, and start ups)

  15. 3D modeling of satellite spectral images, radiation budget and energy budget of urban landscapes

    Science.gov (United States)

    Gastellu-Etchegorry, J. P.

    2008-12-01

    DART EB is a model that is being developed for simulating the 3D (3 dimensional) energy budget of urban and natural scenes, possibly with topography and atmosphere. It simulates all non radiative energy mechanisms (heat conduction, turbulent momentum and heat fluxes, water reservoir evolution, etc.). It uses DART model (Discrete Anisotropic Radiative Transfer) for simulating radiative mechanisms: 3D radiative budget of 3D scenes and their remote sensing images expressed in terms of reflectance or brightness temperature values, for any atmosphere, wavelength, sun/view direction, altitude and spatial resolution. It uses an innovative multispectral approach (ray tracing, exact kernel, discrete ordinate techniques) over the whole optical domain. This paper presents two major and recent improvements of DART for adapting it to urban canopies. (1) Simulation of the geometry and optical characteristics of urban elements (houses, etc.). (2) Modeling of thermal infrared emission by vegetation and urban elements. The new DART version was used in the context of the CAPITOUL project. For that, districts of the Toulouse urban data base (Autocad format) were translated into DART scenes. This allowed us to simulate visible, near infrared and thermal infrared satellite images of Toulouse districts. Moreover, the 3D radiation budget was used by DARTEB for simulating the time evolution of a number of geophysical quantities of various surface elements (roads, walls, roofs). Results were successfully compared with ground measurements of the CAPITOUL project.

  16. Energy landscape and dynamics of brain activity during human bistable perception.

    Science.gov (United States)

    Watanabe, Takamitsu; Masuda, Naoki; Megumi, Fukuda; Kanai, Ryota; Rees, Geraint

    2014-08-28

    Individual differences in the structure of parietal and prefrontal cortex predict the stability of bistable visual perception. However, the mechanisms linking such individual differences in brain structures to behaviour remain elusive. Here we demonstrate a systematic relationship between the dynamics of brain activity, cortical structure and behaviour underpinning bistable perception. Using fMRI in humans, we find that the activity dynamics during bistable perception are well described as fluctuating between three spatially distributed energy minimums: visual-area-dominant, frontal-area-dominant and intermediate states. Transitions between these energy minimums predicted behaviour, with participants whose brain activity tend to reflect the visual-area-dominant state exhibiting more stable perception and those whose activity transits to frontal-area-dominant states reporting more frequent perceptual switches. Critically, these brain activity dynamics are correlated with individual differences in grey matter volume of the corresponding brain areas. Thus, individual differences in the large-scale dynamics of brain activity link focal brain structure with bistable perception.

  17. Ecological consequences of fragmentation and deforestation in an urban landscape: a case study

    Science.gov (United States)

    W.C. Zipperer; T.W. Foresman; S.P. Walker; C.T. Daniel

    2012-01-01

    Landscape change is an ongoing process even within established urban landscapes. Yet, analyses of fragmentation and deforestation have focused primarily on the conversion of non-urban to urban landscapes in rural landscapes and ignored urban landscapes. To determine the ecological effects of continued urbanization in urban landscapes, tree-covered patches were mapped...

  18. Mapping and estimating land change between 2001 and 2013 in a heterogeneous landscape in West Africa: Loss of forestlands and capacity building opportunities

    Science.gov (United States)

    Badjana, Hèou Maléki; Olofsson, Pontus; Woodcock, Curtis E.; Helmschrot, Joerg; Wala, Kpérkouma; Akpagana, Koffi

    2017-12-01

    In West Africa, accurate classification of land cover and land change remains a big challenge due to the patchy and heterogeneous nature of the landscape. Limited data availability, human resources and technical capacities, further exacerbate the challenge. The result is a region that is among the more understudied areas in the world, which in turn has resulted in a lack of appropriate information required for sustainable natural resources management. The objective of this paper is to explore open source software and easy-to-implement approaches to mapping and estimation of land change that are transferrable to local institutions to increase capacity in the region, and to provide updated information on the regional land surface dynamics. To achieve these objectives, stable land cover and land change between 2001 and 2013 in the Kara River Basin in Togo and Benin were mapped by direct multitemporal classification of Landsat data by parameterization and evaluation of two machine-learning algorithms. Areas of land cover and change were estimated by application of an unbiased estimator to sample data following international guidelines. A prerequisite for all tools and methods was implementation in an open source environment, and adherence to international guidelines for reporting land surface activities. Findings include a recommendation of the Random Forests algorithm as implemented in Orfeo Toolbox, and a stratified estimation protocol - all executed in the QGIS graphical use interface. It was found that despite an estimated reforestation of 10,0727 ± 3480 ha (95% confidence interval), the combined rate of forest and savannah loss amounted to 56,271 ± 9405 ha (representing a 16% loss of the forestlands present in 2001), resulting in a rather sharp net loss of forestlands in the study area. These dynamics had not been estimated prior to this study, and the results will provide useful information for decision making pertaining to natural resources management, land

  19. Impacts of the cultivation of energy crops for generation of biogas on the landscape structure and avifauna; Auswirkungen des Energiepflanzenanbaus zur Biogaserzeugung auf Landschaftsstruktur und Avifauna

    Energy Technology Data Exchange (ETDEWEB)

    Ruehmkorf, Hilke

    2011-07-01

    In its effort to implement new climate and energy policies, Germany has been heavily promoting the adoption of renewable energies. This has brought about a dramatic change in the use of arable land during the last years. The primary objective of this study was therefore to assess the effect of energy cropping on existing landscape structures in intensively cultivated regions in the course of the year. According to the available structural parameters an investigation was conducted to ascertain the fallout of energy plant cultivation on both migratory and overwintering birds. The period covered entailed the winter months. Both the advent of the energy crops as well as the associated biogas facilities that sprang up outside built-in areas seem to have reshaped the existing agricultural landscape. Hence, an additional aim of this study was to identify birds that use biogas plants for breeding or as a feeding habitat in winter. In conclusion, it can be asserted that energy crops can definitely contribute to the expansion of structural diversity in the agricultural landscape provided those energy crops were not cultivated on a large scale prior to the advent of the biogas facilities. Hence, there is still room for further energy crop diversification as its potential has not been exhausted. During the winter months mostly common species such as the carrion crow or the wood pigeon consider the maize fields as a viable source of nutrition. Cranes are seen as newcomers, as they probably started resting in the 'Boerde' precisely due to the advent of energy maize cultivation. And more availability of nourishment when the ground is covered by snow is another benefit the avifauna reaps from biogas plants. However, for endangered farmland birds this type of nutrition is a rarely used source, as it runs counter to their escape strategies and food preferences. For these species the habitat function and the food availability depends especially on how the land is managed (e

  20. Information Resources in High-Energy Physics Surveying the Present Landscape and Charting the Future Course

    CERN Document Server

    Gentil-Beccot, Anne; Mele, Salvatore; Holtkamp, Annette; O'Connell, Heath B; Brooks, Travis C

    2009-01-01

    Access to previous results is of paramount importance in the scientific process. Recent progress in information management focuses on building e-infrastructures for the optimization of the research workflow, through both policy-driven and user-pulled dynamics. For decades, High-Energy Physics (HEP) has pioneered innovative solutions in the field of information management and dissemination. In light of a transforming information environment, it is important to assess the current usage of information resources by researchers and HEP provides a unique test-bed for this assessment. A survey of about 10% of practitioners in the field reveals usage trends and information needs. Community-based services, such as the pioneering arXiv and SPIRES systems, largely answer the need of the scientists, with a limited but increasing fraction of younger users relying on Google. Commercial services offered by publishers or database vendors are essentially unused in the field. The survey offers an insight into the most importan...

  1. Photovoltaic performance and the energy landscape of CH3NH3PbI3.

    Science.gov (United States)

    Zhou, Yecheng; Huang, Fuzhi; Cheng, Yi-Bing; Gray-Weale, Angus

    2015-09-21

    Photovoltaic cells with absorbing layers of certain perovskites have power conversion efficiencies up to 20%. Among these materials, CH3NH3PbI3 is widely used. Here we use density-functional theory to calculate the energies and rotational energy barriers of a methylammonium ion in the α or β phase of CH3NH3PbI3 with differently oriented neighbouring methylammonium ions. Our results suggest the methylammonium ions in CH3NH3PbI3 prefer to rotate collectively, and to be parallel to their neighbours. Changes in polarization on rotation of methylammonium ions are two to three times larger than those on relaxation of the lead ion from the centre of its coordination shell. The preferences for parallel configuration and concerted rotation, with the polarisation changes, are consistent with ferroelectricity in the material, and indicate that this polarisation is governed by methylammonium orientational correlations. We show that the field due to this polarisation is strong enough to screen the field hindering charge transport, and find this screening field in agreement with experiment. We examine two possible mechanisms for the effect of methylammonium ion rotation on photovoltaic performance. One is that rearrangement of methylammoniums promotes the creation and transport of charge carriers. Some effective masses change greatly, but changes in band structure with methylammonium rotation are not large enough to explain current-voltage hysteresis behaviour. The second possible mechanism is that polarization screens the hindering electric field, which arises from charge accumulation in the transport layers. Polarization changes on methylammonium rotation favour this second mechanism, suggesting that collective reorientation of methylammonium ions in the bulk crystal are in significant part responsible for the hysteresis and power conversion characteristics of CH3NH3PbI3 photovoltaic cells.

  2. A landscape ecology approach to assessing development impacts in the tropics: A geothermal energy example in Hawaii

    Science.gov (United States)

    Griffith, J.A.; Trettin, C.C.; O'Neill, R. V.

    2002-01-01

    Geographic information systems (GIS) are increasingly being used in environmental impact assessments (EIA) because GIS is useful for analysing spatial impacts of various development scenarios. Spatially representing these impacts provides another tool for landscape ecology in environmental and geographical investigations by facilitating analysis of the effects of landscape patterns on ecological processes and examining change over time. Landscape ecological principles are applied in this study to a hypothetical geothermal development project on the Island of Hawaii. Some common landscape pattern metrics were used to analyse dispersed versus condensed development scenarios and their effect on landscape pattern. Indices of fragmentation and patch shape did not appreciably change with additional development. The amount of forest to open edge, however, greatly increased with the dispersed development scenario. In addition, landscape metrics showed that a human disturbance had a greater simplifying effect on patch shape and also increased fragmentation than a natural disturbance. The use of these landscape pattern metrics can advance the methodology of applying GIS to EIA.

  3. Exploring energy loss by vector flow mapping in children with ventricular septal defect: Pathophysiologic significance.

    Science.gov (United States)

    Honda, Takashi; Itatani, Keiichi; Takanashi, Manabu; Kitagawa, Atsushi; Ando, Hisashi; Kimura, Sumito; Oka, Norihiko; Miyaji, Kagami; Ishii, Masahiro

    2017-10-01

    Vector flow mapping is a novel echocardiographic flow visualization method, and it has enabled us to quantitatively evaluate the energy loss in the left ventricle (intraventricular energy loss). Although intraventricular energy loss is assumed to be a part of left ventricular workload itself, it is unclear what this parameter actually represents. The aim of the present study was to elucidate the characteristics of intraventricular energy loss. We enrolled 26 consecutive children with ventricular septal defect (VSD). On echocardiography vector flow mapping, intraventricular energy loss was measured in the apical 3-chamber view. We measured peak energy loss and averaged energy loss in the diastolic and systolic phases, and subsequently compared these parameters with catheterization parameters and serum brain natrium peptide (BNP) level. Diastolic, peak, and systolic energy loss were strongly and positively correlated with right ventricular systolic pressure (r=0.76, 0.68, and 0.56, p<0.0001, = 0.0001, and 0.0029, respectively) and right ventricular end diastolic pressure (r=0.55, 0.49, and 0.49, p=0.0038, 0.0120, and 0.0111, respectively). In addition, diastolic, peak, and systolic energy loss were significantly correlated with BNP (r=0.75, 0.69 and 0.49, p<0.0001, < 0.0001, and=0.0116, respectively). In children with VSD, elevated right ventricular pressure is one of the factors that increase energy loss in the left ventricle. The results of the present study encourage further studies in other study populations to elucidate the characteristics of intraventricular energy loss for its possible clinical application. Copyright © 2017 Elsevier B.V. All rights reserved.

  4. Using Sankey diagrams to map energy flow from primary fuel to end use

    International Nuclear Information System (INIS)

    Subramanyam, Veena; Paramshivan, Deepak; Kumar, Amit; Mondal, Md. Alam Hossain

    2015-01-01

    Highlights: • Energy flows from both supply and demand sides shown through Sankey diagrams. • Energy flows from reserves to energy end uses for primary and secondary fuels shown. • Five main energy demand sectors in Alberta are analyzed. • In residential/commercial sectors, highest energy consumption is in space heating. • In the industrial sector, highest energy use is in the mining subsector. - Abstract: The energy sector is the largest contributor to gross domestic product (GDP), income, employment, and government revenue in both developing and developed nations. But the energy sector has a significant environmental footprint due to greenhouse gas (GHG) emissions. Efficient production, conversion, and use of energy resources are key factors for reducing the environmental footprint. Hence it is necessary to understand energy flows from both the supply and the demand sides. Most energy analyses focus on improving energy efficiency broadly without considering the aggregate energy flow. We developed Sankey diagrams that map energy flow for both the demand and supply sides for the province of Alberta, Canada. The diagrams will help policy/decision makers, researchers, and others to understand energy flow from reserves through to final energy end uses for primary and secondary fuels in the five main energy demand sectors in Alberta: residential, commercial, industrial, agricultural, and transportation. The Sankey diagrams created for this study show total energy consumption, useful energy, and energy intensities of various end-use devices. The Long-range Energy Alternatives Planning System (LEAP) model is used in this study. The model showed that Alberta’s total input energy in the five demand sectors was 189 PJ, 186 PJ, 828.5PJ, 398 PJ, and 50.83 PJ, respectively. On the supply side, the total energy input and output were found to be 644.84 PJ and 239 PJ, respectively. These results, along with the associated energy flows were depicted pictorially using

  5. The significance of the amorphous potential energy landscape for dictating glassy dynamics and driving solid-state crystallisation.

    Science.gov (United States)

    Ruggiero, Michael T; Krynski, Marcin; Kissi, Eric Ofosu; Sibik, Juraj; Markl, Daniel; Tan, Nicholas Y; Arslanov, Denis; van der Zande, Wim; Redlich, Britta; Korter, Timothy M; Grohganz, Holger; Löbmann, Korbinian; Rades, Thomas; Elliott, Stephen R; Zeitler, J Axel

    2017-11-15

    The fundamental origins surrounding the dynamics of disordered solids near their characteristic glass transitions continue to be fiercely debated, even though a vast number of materials can form amorphous solids, including small-molecule organic, inorganic, covalent, metallic, and even large biological systems. The glass-transition temperature, T g , can be readily detected by a diverse set of techniques, but given that these measurement modalities probe vastly different processes, there has been significant debate regarding the question of why T g can be detected across all of them. Here we show clear experimental and computational evidence in support of a theory that proposes that the shape and structure of the potential-energy surface (PES) is the fundamental factor underlying the glass-transition processes, regardless of the frequency that experimental methods probe. Whilst this has been proposed previously, we demonstrate, using ab initio molecular-dynamics (AIMD) simulations, that it is of critical importance to carefully consider the complete PES - both the intra-molecular and inter-molecular features - in order to fully understand the entire range of atomic-dynamical processes in disordered solids. Finally, we show that it is possible to utilise this dependence to directly manipulate and harness amorphous dynamics in order to control the behaviour of such solids by using high-powered terahertz pulses to induce crystallisation and preferential crystal-polymorph growth in glasses. Combined, these findings provide compelling evidence that the PES landscape, and the corresponding energy barriers, are the ultimate controlling feature behind the atomic and molecular dynamics of disordered solids, regardless of the frequency at which they occur.

  6. Electron energy-loss spectroscopy of single nanocrystals: mapping of tin allotropes

    Science.gov (United States)

    Roesgaard, Søren; Ramasse, Quentin; Chevallier, Jacques; Fyhn, Mogens; Julsgaard, Brian

    2018-05-01

    Using monochromated electron energy-loss spectroscopy (EELS), we are able to map different allotropes in Sn-nanocrystals embedded in Si. It is demonstrated that α-Sn and β-Sn, as well as an interface related plasmon, can be distinguished in embedded Sn-nanostructures. The EELS data is interpreted by standard non-negative matrix factorization followed by a manual Lorentzian decomposition. The decomposition allows for a more physical understanding of the EELS mapping without reducing the level of information. Extending the analysis from a reference system to smaller nanocrystals demonstrates that allotrope determination in nanoscale systems down below 5 nm is possible. Such local information proves the use of monochromated EELS mapping as a powerful technique to study nanoscale systems. This possibility enables investigation of small nanostructures that cannot be investigated through other means, allowing for a better understanding and thus leading to realizations that can result in nanomaterials with improved properties.

  7. Map of decentralised energy potential based on renewable energy sources in Croatia

    International Nuclear Information System (INIS)

    Schneider, D. R.; Ban, M.; Duic, N.; Bogdan, Z.

    2005-01-01

    Although the Republic of Croatia is almost completely electrified there are still regions where electricity network is not in place or network capacity is insufficient. These regions usually include areas of special state care (underdeveloped, war-affected or depopulated areas), islands, and mountainous areas. However, they often have good renewable energy potential. Decentralised energy generation based on renewable energy sources (wind power, hydropower, solar energy, biomass) has potential to ensure energy supply to users in remote and often isolated rural areas (off-grid applications). Such applications will primarily be related to tourism business in mountainous, rural and island/coastal regions. Also, agriculture, wood-processing and food-processing industries will potentially be interested in application of decentralised energy generation systems, most likely those using biomass as fuel (for example cogeneration facilities, connected on-grid).(author)

  8. Elemental mapping in achromatic atomic-resolution energy-filtered transmission electron microscopy

    Energy Technology Data Exchange (ETDEWEB)

    Forbes, B.D. [School of Physics, University of Melbourne, Parkville, VIC 3010 (Australia); Houben, L. [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Gruenberg Institute, Forschungszentrum Jülich, D-52425 Jülich (Germany); Mayer, J. [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Gruenberg Institute, Forschungszentrum Jülich, D-52425 Jülich (Germany); Central Facility for Electron Microscopy, RWTH Aachen University, D-52074 Aachen (Germany); Dunin-Borkowski, R.E. [Ernst Ruska-Centre for Microscopy and Spectroscopy with Electrons and Peter Gruenberg Institute, Forschungszentrum Jülich, D-52425 Jülich (Germany); Allen, L.J., E-mail: lja@unimelb.edu.au [School of Physics, University of Melbourne, Parkville, VIC 3010 (Australia)

    2014-12-15

    We present atomic-resolution energy-filtered transmission electron microscopy (EFTEM) images obtained with the chromatic-aberration-corrected FEI Titan PICO at the Ernst-Ruska Centre, Jülich, Germany. We find qualitative agreement between experiment and simulation for the background-subtracted EFTEM images of the Ti–L{sub 2,3} and O–K edges for a specimen of SrTiO{sub 3} oriented down the [110] zone axis. The simulations utilize the transition potential formulation for inelastic scattering, which permits a detailed investigation of contributions to the EFTEM image. We find that energy-filtered images of the Ti–L{sub 2,3} and O–K edges are lattice images and that the background-subtracted core-loss maps may not be directly interpretable as elemental maps. Simulations show that this is a result of preservation of elastic contrast, whereby the qualitative details of the image are determined primarily by elastic, coherent scattering. We show that this effect places a constraint on the range of specimen thicknesses which could theoretically yield directly useful elemental maps. In general, interpretation of EFTEM images is ideally accompanied by detailed simulations. - Highlights: • Achromatic atomic-resolution EFTEM images were obtained for STO 〈110〉. • Simulations were in qualitative agreement with Ti–L{sub 2,3} and O–K edge maps. • The experimental EFTEM maps are not directly interpretable as elemental maps. • Image intensities are strongly determined by preservation of elastic contrast. • Interpretation of EFTEM images is ideally accompanied by detailed simulations.

  9. Landscape Ecology

    DEFF Research Database (Denmark)

    Christensen, Andreas Aagaard; Brandt, Jesper; Svenningsen, Stig Roar

    2017-01-01

    Landscape ecology is an interdisciplinary field of research and practice that deals with the mutual association between the spatial configuration and ecological functioning of landscapes, exploring and describing processes involved in the differentiation of spaces within landscapes......, and the ecological significance of the patterns which are generated by such processes. In landscape ecology, perspectives drawn from existing academic disciplines are integrated based on a common, spatially explicit mode of analysis developed from classical holistic geography, emphasizing spatial and landscape...... pattern analysis and ecological interaction of land units. The landscape is seen as a holon: an assemblage of interrelated phenomena, both cultural and biophysical, that together form a complex whole. Enduring challenges to landscape ecology include the need to develop a systematic approach able...

  10. Information resources in high-energy physics. Surveying the present landscape and charting the future course

    Energy Technology Data Exchange (ETDEWEB)

    Gentil-Beccot, A.; Mele, S. [European Organization for Nuclear Research (CERN), Geneva (Switzerland); Holtkamp, A. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); O' Connell, H.B. [Fermi National Accelerator Lab., Batavia, IL (United States); Brooks, T.C. [Stanford Linear Accelerator Center, Menlo Park, CA (United States)

    2008-04-15

    Access to previous results is of paramount importance in the scientific process. Recent progress in information management focuses on building e-infrastructures for the optimization of the research workflow, through both policy-driven and user-pulled dynamics. For decades, High-Energy Physics (HEP) has pioneered innovative solutions in the eld of infor- mation management and dissemination. In light of a transforming information environment, it is important to assess the current usage of information resources by researchers and HEP provides a unique test-bed for this assessment. A survey of about 10% of practitioners in the eld reveals usage trends and information needs. Community-based services, such as the pioneering arXiv and SPIRES systems, largely answer the need of the scientists, with a limited but increasing fraction of younger users relying on Google. Commercial services offered by publishers or database vendors are essentially unused in the eld. The survey o ers an in- sight into the most important features that users require to optimize their research workflow. These results inform the future evolution of information management in HEP and, as these researchers are traditionally 'early adopters' of innovation in scholarly communication, can inspire developments of disciplinary repositories serving other communities. (orig.)

  11. Tailoring the Energy Landscape in Quasi-2D Halide Perovskites Enables Efficient Green-Light Emission

    KAUST Repository

    Quan, Li Na; Zhao, Yongbiao; Garcí a de Arquer, F. Pelayo; Sabatini, Randy; Walters, Grant; Voznyy, Oleksandr; Comin, Riccardo; Li, Yiying; Fan, James Z.; Tan, Hairen; Pan, Jun; Yuan, Mingjian; Bakr, Osman; Lu, Zhenghong; Kim, Dong Ha; Sargent, Edward H.

    2017-01-01

    Organo-metal halide perovskites are a promising platform for optoelectronic applications in view of their excellent charge-transport and bandgap tunability. However, their low photoluminescence quantum efficiencies, especially in low-excitation regimes, limit their efficiency for light emission. Consequently, perovskite light-emitting devices are operated under high injection, a regime under which the materials have so far been unstable. Here we show that, by concentrating photoexcited states into a small subpopulation of radiative domains, one can achieve a high quantum yield, even at low excitation intensities. We tailor the composition of quasi-2D perovskites to direct the energy transfer into the lowest-bandgap minority phase and to do so faster than it is lost to nonradiative centers. The new material exhibits 60% photoluminescence quantum yield at excitation intensities as low as 1.8 mW/cm2, yielding a ratio of quantum yield to excitation intensity of 0.3 cm2/mW; this represents a decrease of 2 orders of magnitude in the excitation power required to reach high efficiency compared with the best prior reports. Using this strategy, we report light-emitting diodes with external quantum efficiencies of 7.4% and a high luminescence of 8400 cd/m2.

  12. Ionic Strength Modulation of the Free Energy Landscape of Aβ40 Peptide Fibril Formation.

    Science.gov (United States)

    Abelein, Axel; Jarvet, Jüri; Barth, Andreas; Gräslund, Astrid; Danielsson, Jens

    2016-06-01

    Protein misfolding and formation of cross-β structured amyloid fibrils are linked to many neurodegenerative disorders. Although recently developed quantitative approaches have started to reveal the molecular nature of self-assembly and fibril formation of proteins and peptides, it is yet unclear how these self-organization events are precisely modulated by microenvironmental factors, which are known to strongly affect the macroscopic aggregation properties. Here, we characterize the explicit effect of ionic strength on the microscopic aggregation rates of amyloid β peptide (Aβ40) self-association, implicated in Alzheimer's disease. We found that physiological ionic strength accelerates Aβ40 aggregation kinetics by promoting surface-catalyzed secondary nucleation reactions. This promoted catalytic effect can be assigned to shielding of electrostatic repulsion between monomers on the fibril surface or between the fibril surface itself and monomeric peptides. Furthermore, we observe the formation of two different β-structured states with similar but distinct spectroscopic features, which can be assigned to an off-pathway immature state (Fβ*) and a mature stable state (Fβ), where salt favors formation of the Fβ fibril morphology. Addition of salt to preformed Fβ* accelerates transition to Fβ, underlining the dynamic nature of Aβ40 fibrils in solution. On the basis of these results we suggest a model where salt decreases the free-energy barrier for Aβ40 folding to the Fβ state, favoring the buildup of the mature fibril morphology while omitting competing, energetically less favorable structural states.

  13. Information resources in high-energy physics. Surveying the present landscape and charting the future course

    International Nuclear Information System (INIS)

    Gentil-Beccot, A.; Mele, S.; Holtkamp, A.; O'Connell, H.B.; Brooks, T.C.

    2008-04-01

    Access to previous results is of paramount importance in the scientific process. Recent progress in information management focuses on building e-infrastructures for the optimization of the research workflow, through both policy-driven and user-pulled dynamics. For decades, High-Energy Physics (HEP) has pioneered innovative solutions in the eld of infor- mation management and dissemination. In light of a transforming information environment, it is important to assess the current usage of information resources by researchers and HEP provides a unique test-bed for this assessment. A survey of about 10% of practitioners in the eld reveals usage trends and information needs. Community-based services, such as the pioneering arXiv and SPIRES systems, largely answer the need of the scientists, with a limited but increasing fraction of younger users relying on Google. Commercial services offered by publishers or database vendors are essentially unused in the eld. The survey o ers an in- sight into the most important features that users require to optimize their research workflow. These results inform the future evolution of information management in HEP and, as these researchers are traditionally ''early adopters'' of innovation in scholarly communication, can inspire developments of disciplinary repositories serving other communities. (orig.)

  14. Information resources in high-energy physics. Surveying the present landscape and charting the future course

    Energy Technology Data Exchange (ETDEWEB)

    Gentil-Beccot, A; Mele, S [European Organization for Nuclear Research (CERN), Geneva (Switzerland); Holtkamp, A [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); O' Connell, H B [Fermi National Accelerator Lab., Batavia, IL (United States); Brooks, T C [Stanford Linear Accelerator Center, Menlo Park, CA (United States)

    2008-04-15

    Access to previous results is of paramount importance in the scientific process. Recent progress in information management focuses on building e-infrastructures for the optimization of the research workflow, through both policy-driven and user-pulled dynamics. For decades, High-Energy Physics (HEP) has pioneered innovative solutions in the eld of infor- mation management and dissemination. In light of a transforming information environment, it is important to assess the current usage of information resources by researchers and HEP provides a unique test-bed for this assessment. A survey of about 10% of practitioners in the eld reveals usage trends and information needs. Community-based services, such as the pioneering arXiv and SPIRES systems, largely answer the need of the scientists, with a limited but increasing fraction of younger users relying on Google. Commercial services offered by publishers or database vendors are essentially unused in the eld. The survey o ers an in- sight into the most important features that users require to optimize their research workflow. These results inform the future evolution of information management in HEP and, as these researchers are traditionally 'early adopters' of innovation in scholarly communication, can inspire developments of disciplinary repositories serving other communities. (orig.)

  15. Information Resources in High-Energy Physics: Surveying the Present Landscape and Charting the Future Course

    Energy Technology Data Exchange (ETDEWEB)

    Gentil-Beccot, Anne; Mele, Salvatore; Holtkamp, Annette; O' Connell, Heath B.; Brooks, Travis C.

    2008-04-22

    Access to previous results is of paramount importance in the scientific process. Recent progress in information management focuses on building e-infrastructures for the optimization of the research workflow, through both policy-driven and user-pulled dynamics. For decades, High-Energy Physics (HEP) has pioneered innovative solutions in the field of information management and dissemination. In light of a transforming information environment, it is important to assess the current usage of information resources by researchers and HEP provides a unique test-bed for this assessment. A survey of about 10% of practitioners in the field reveals usage trends and information needs. Community-based services, such as the pioneering arXiv and SPIRES systems, largely answer the need of the scientists, with a limited but increasing fraction of younger users relying on Google. Commercial services offered by publishers or database vendors are essentially unused in the field. The survey offers an insight into the most important features that users require to optimize their research workflow. These results inform the future evolution of information management in HEP and, as these researchers are traditionally 'early adopters' of innovation in scholarly communication, can inspire developments of disciplinary repositories serving other communities.

  16. Tailoring the Energy Landscape in Quasi-2D Halide Perovskites Enables Efficient Green-Light Emission

    KAUST Repository

    Quan, Li Na

    2017-05-10

    Organo-metal halide perovskites are a promising platform for optoelectronic applications in view of their excellent charge-transport and bandgap tunability. However, their low photoluminescence quantum efficiencies, especially in low-excitation regimes, limit their efficiency for light emission. Consequently, perovskite light-emitting devices are operated under high injection, a regime under which the materials have so far been unstable. Here we show that, by concentrating photoexcited states into a small subpopulation of radiative domains, one can achieve a high quantum yield, even at low excitation intensities. We tailor the composition of quasi-2D perovskites to direct the energy transfer into the lowest-bandgap minority phase and to do so faster than it is lost to nonradiative centers. The new material exhibits 60% photoluminescence quantum yield at excitation intensities as low as 1.8 mW/cm2, yielding a ratio of quantum yield to excitation intensity of 0.3 cm2/mW; this represents a decrease of 2 orders of magnitude in the excitation power required to reach high efficiency compared with the best prior reports. Using this strategy, we report light-emitting diodes with external quantum efficiencies of 7.4% and a high luminescence of 8400 cd/m2.

  17. Information Resources in High-Energy Physics: Surveying the Present Landscape and Charting the Future Course

    International Nuclear Information System (INIS)

    Gentil-Beccot, Anne; Mele, Salvatore; Holtkamp, Annette; O'Connell, Heath B.; Brooks, Travis C.

    2008-01-01

    Access to previous results is of paramount importance in the scientific process. Recent progress in information management focuses on building e-infrastructures for the optimization of the research workflow, through both policy-driven and user-pulled dynamics. For decades, High-Energy Physics (HEP) has pioneered innovative solutions in the field of information management and dissemination. In light of a transforming information environment, it is important to assess the current usage of information resources by researchers and HEP provides a unique test-bed for this assessment. A survey of about 10% of practitioners in the field reveals usage trends and information needs. Community-based services, such as the pioneering arXiv and SPIRES systems, largely answer the need of the scientists, with a limited but increasing fraction of younger users relying on Google. Commercial services offered by publishers or database vendors are essentially unused in the field. The survey offers an insight into the most important features that users require to optimize their research workflow. These results inform the future evolution of information management in HEP and, as these researchers are traditionally 'early adopters' of innovation in scholarly communication, can inspire developments of disciplinary repositories serving other communities

  18. The importance of on-site evaluation for placing renewable energy in the landscape: A case study of the Búrfell wind farm (Iceland)

    Czech Academy of Sciences Publication Activity Database

    Frantál, Bohumil; Bevk, T.; van Veelen, B.; Hărmănescu, M.; Benediktsson, K.

    2017-01-01

    Roč. 25, č. 4 (2017), s. 234-247 ISSN 1210-8812 R&D Projects: GA ČR GA16-04483S Institutional support: RVO:68145535 Keywords : wind energy * landscape perception * Iceland Subject RIV: DE - Earth Magnetism, Geodesy, Geography OBOR OECD: Environmental sciences (social aspects) Impact factor: 2.149, year: 2016 http://www.geonika.cz/EN/research/ENMGRClanky/2017_4_FRANT%C3%81L.pdf

  19. Note: Electron energy spectroscopy mapping of surface with scanning tunneling microscope.

    Science.gov (United States)

    Li, Meng; Xu, Chunkai; Zhang, Panke; Li, Zhean; Chen, Xiangjun

    2016-08-01

    We report a novel scanning probe electron energy spectrometer (SPEES) which combines a double toroidal analyzer with a scanning tunneling microscope to achieve both topography imaging and electron energy spectroscopy mapping of surface in situ. The spatial resolution of spectroscopy mapping is determined to be better than 0.7 ± 0.2 μm at a tip sample distance of 7 μm. Meanwhile, the size of the field emission electron beam spot on the surface is also measured, and is about 3.6 ± 0.8 μm in diameter. This unambiguously demonstrates that the spatial resolution of SPEES technique can be much better than the size of the incident electron beam.

  20. Note: Electron energy spectroscopy mapping of surface with scanning tunneling microscope

    Energy Technology Data Exchange (ETDEWEB)

    Li, Meng; Xu, Chunkai, E-mail: xuck@ustc.edu.cn, E-mail: xjun@ustc.edu.cn; Zhang, Panke; Li, Zhean; Chen, Xiangjun, E-mail: xuck@ustc.edu.cn, E-mail: xjun@ustc.edu.cn [Hefei National Laboratory for Physical Science at Microscale and Department of Modern Physics, University of Science and Technology of China, Hefei 230026, China and Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei 230026 (China)

    2016-08-15

    We report a novel scanning probe electron energy spectrometer (SPEES) which combines a double toroidal analyzer with a scanning tunneling microscope to achieve both topography imaging and electron energy spectroscopy mapping of surface in situ. The spatial resolution of spectroscopy mapping is determined to be better than 0.7 ± 0.2 μm at a tip sample distance of 7 μm. Meanwhile, the size of the field emission electron beam spot on the surface is also measured, and is about 3.6 ± 0.8 μm in diameter. This unambiguously demonstrates that the spatial resolution of SPEES technique can be much better than the size of the incident electron beam.

  1. Note: Electron energy spectroscopy mapping of surface with scanning tunneling microscope

    International Nuclear Information System (INIS)

    Li, Meng; Xu, Chunkai; Zhang, Panke; Li, Zhean; Chen, Xiangjun

    2016-01-01

    We report a novel scanning probe electron energy spectrometer (SPEES) which combines a double toroidal analyzer with a scanning tunneling microscope to achieve both topography imaging and electron energy spectroscopy mapping of surface in situ. The spatial resolution of spectroscopy mapping is determined to be better than 0.7 ± 0.2 μm at a tip sample distance of 7 μm. Meanwhile, the size of the field emission electron beam spot on the surface is also measured, and is about 3.6 ± 0.8 μm in diameter. This unambiguously demonstrates that the spatial resolution of SPEES technique can be much better than the size of the incident electron beam.

  2. Transfer map approach to an optical effects of energy degraders on the performance of fragment separators

    International Nuclear Information System (INIS)

    Erdelyi, B.; Bandura, L.; Nolen, J.

    2009-01-01

    A second order analytical and an arbitrary order numerical procedure is developed for the computation of transfer maps of energy degraders. The incorporation of the wedges into the optics of fragment separators for next-generation exotic beam facilities, their optical effects, and the optimization of their performance is studied in detail. It is shown how to place and shape the degraders in the system such that aberrations are minimized and resolving powers are maximized

  3. Transfer map approach to and optical effects of energy degraders in fragment separators

    Directory of Open Access Journals (Sweden)

    B. Erdelyi

    2009-01-01

    Full Text Available A second order analytical and an arbitrary order numerical procedure is developed for the computation of transfer maps of energy degraders. The incorporation of the wedges into the optics of fragment separators for next-generation exotic beam facilities, their optical effects, and the optimization of their performance is studied in detail. It is shown how to place and shape the degraders in the system such that aberrations are minimized and resolving powers are maximized.

  4. Multiple coupled landscapes and non-adiabatic dynamics with applications to self-activating genes.

    Science.gov (United States)

    Chen, Cong; Zhang, Kun; Feng, Haidong; Sasai, Masaki; Wang, Jin

    2015-11-21

    Many physical, chemical and biochemical systems (e.g. electronic dynamics and gene regulatory networks) are governed by continuous stochastic processes (e.g. electron dynamics on a particular electronic energy surface and protein (gene product) synthesis) coupled with discrete processes (e.g. hopping among different electronic energy surfaces and on and off switching of genes). One can also think of the underlying dynamics as the continuous motion on a particular landscape and discrete hoppings among different landscapes. The main difference of such systems from the intra-landscape dynamics alone is the emergence of the timescale involved in transitions among different landscapes in addition to the timescale involved in a particular landscape. The adiabatic limit when inter-landscape hoppings are fast compared to continuous intra-landscape dynamics has been studied both analytically and numerically, but the analytical treatment of the non-adiabatic regime where the inter-landscape hoppings are slow or comparable to continuous intra-landscape dynamics remains challenging. In this study, we show that there exists mathematical mapping of the dynamics on 2(N) discretely coupled N continuous dimensional landscapes onto one single landscape in 2N dimensional extended continuous space. On this 2N dimensional landscape, eddy current emerges as a sign of non-equilibrium non-adiabatic dynamics and plays an important role in system evolution. Many interesting physical effects such as the enhancement of fluctuations, irreversibility, dissipation and optimal kinetics emerge due to non-adiabaticity manifested by the eddy current illustrated for an N = 1 self-activator. We further generalize our theory to the N-gene network with multiple binding sites and multiple synthesis rates for discretely coupled non-equilibrium stochastic physical and biological systems.

  5. Mapping the Landscapes of Bullying

    Science.gov (United States)

    Migliaccio, Todd; Raskauskas, Juliana; Schmidtlein, Mathew

    2017-01-01

    Past bullying research has consistently identified common locations (e.g. bathrooms, hallways, playgrounds) on school campuses where bullying occurs, but not specific locations. This limitation does not allow researchers to take into account the unique geography of individual schools and how it contributes to bullying. A random sample of 741 grade…

  6. Energy content of stormtime ring current from phase space mapping simulations

    International Nuclear Information System (INIS)

    Chen, M.W.; Schulz, M.; Lyons, L.R.

    1993-01-01

    The authors perform a model study to account for the increase in energy content of the trapped-particle population which occurs during the main phase of major geomagnetic storms. They consider stormtime particle transport in the equatorial region of the magnetosphere. They start with a phase space distribution of the ring current before the storm, created by a steady state transport model. They then use a previously developed guiding center particle simulation to map the stormtime ring current phase space, following Liouville's theorem. This model is able to account for the ten to twenty fold increase in energy content of magnetospheric ions during the storm

  7. Mapping the ocean current strength and persistence in the Agulhas to inform marine energy development

    CSIR Research Space (South Africa)

    Meyer, I

    2017-04-01

    Full Text Available sensing - Acoustic Doppler Current Profiler - Natal pulses U N C O R R EC TE D PR O O F 1 Mapping the Ocean Current Strength 2 and Persistence in the Agulhas to Inform 3 Marine Energy Development 4 I. Meyer, L. Braby, M. Krug and B. Backeberg 5... International Publishing AG 2017 Z. Yang and A. Copping (eds.), Marine Renewable Energy, DOI 10.1007/978-3-319-53536-4_8 1 A u th o r P ro o f U N C O R R EC TE D PR O O F 16 Current. Western boundary ocean currents have become an area of focus (Duerr and 17...

  8. Impressionist Landscape Cartography

    Science.gov (United States)

    Todd, Stella W.

    2018-05-01

    Cartography helps to show us the world in which we reside by providing us a framework to explore space. We can select myriad themes to represent what is relevant to our lives: physical characteristics, human behaviors, hazards, opportunities. Themes are represented on a continuum between real-world images and pure abstractions. How we define cartography and what we expect from it changes with society and technology. We are now inundated with data but we still struggle with expressing our personal geographic experiences through cartography. In this age of information we have become more cognizant of our individual experience of place and our need to determine our own paths and therefore create our own maps. In order to reflect our journey we can add individual details to cartographic products or generalize information to concentrate on what is meaningful to us. Since time and space are interrelated we experience geography by viewing the landscape as changing scenes over time. This experience is both spatial and temporal since we experience geography by moving through space. Experiencing each scene is a separate event. This paper expands the personalization of maps to include our impressions of the travel experience. Rather than add art to cartography it provides geographic reference to art. It explores the use of a series of quick sketches drawn while traveling along roads using a single drawing pad to produce a time series of interpreted landscapes. With the use of geographic time stamps from global positioning systems these sketches are converted from a drawing to a map documenting the path of movement. Although the map scale varies between sketch entries each scene impression can be linked to one or more maps of consistent scale. The result is an artistic piece that expresses a dynamic geographic experience that can be viewed in conjunction with more traditional maps. Unlike mental maps which are constructed from memory, these maps reflect our direct impressions

  9. Mapping of stakeholders in renewable energy in Grenland; Kartlegging av aktoerer innen fornybar energi i Grenland

    Energy Technology Data Exchange (ETDEWEB)

    Hvitsand, Christine

    2011-07-01

    The survey shows that there is a significant activity related to renewable energy in Grenland. It is developed hydropower both in small-scale and large-scale, and there are activities related to the establishment of additional heating based on bioenergy. There are good technology companies in the region, including renewable energy. Several companies are already, or have the potential to be, significant suppliers in an international context. (Author)

  10. The feasibility of colorectal cancer detection using dual-energy computed tomography with iodine mapping

    International Nuclear Information System (INIS)

    Boellaard, T.N.; Henneman, O.D.F.; Streekstra, G.J.; Venema, H.W.; Nio, C.Y.; Dorth-Rombouts, M.C. van; Stoker, J.

    2013-01-01

    Aim: To assess the feasibility of colorectal cancer detection using dual-energy computed tomography with iodine mapping and without bowel preparation or bowel distension. Materials and methods: Consecutive patients scheduled for preoperative staging computed tomography (CT) because of diagnosed or high suspicion for colorectal cancer were prospectively included in the study. A single contrast-enhanced abdominal CT acquisition using dual-source mode (100 kV/140 kV) was performed without bowel preparation. Weighted average 120 kV images and iodine maps were created with post-processing. Two observers performed a blinded read for colorectal lesions after being trained on three colorectal cancer patients. One observer performed an unblinded read for lesion detectability and placed a region of interest (ROI) within each lesion. Results: In total 21 patients were included and 18 had a colorectal cancer at the time of the CT acquisition. Median cancer size was 43 mm [interquartile range (IQR) 27–60 mm] and all 18 colorectal cancers were visible on the 120 kV images and iodine map during the unblinded read. During the blinded read, observers found 90% (27/30) of the cancers with 120 kV images only and 96.7% (29/30) after viewing the iodine map in addition (p = 0.5). Median enhancement of colorectal cancers was 29.9 HU (IQR 23.1–34.6). The largest benign lesions (70 and 25 mm) were visible on the 120 kV images and iodine map, whereas four smaller benign lesions (7–15 mm) were not. Conclusion: Colorectal cancers are visible on the contrast-enhanced dual-energy CT without bowel preparation or insufflation. Because of the patient-friendly nature of this approach, further studies should explore its use for colorectal cancer detection in frail and elderly patients

  11. Planetary Landscape Geography

    Science.gov (United States)

    Hargitai, H.

    INTRODUCTION Landscape is one of the most often used category in physical ge- ography. The term "landshap" was introduced by Dutch painters in the 15-16th cen- tury. [1] The elements that build up a landscape (or environment) on Earth consists of natural (biogenic and abiogenic - lithologic, atmospheric, hydrologic) and artificial (antropogenic) factors. Landscape is a complex system of these different elements. The same lithology makes different landscapes under different climatic conditions. If the same conditions are present, the same landscape type will appear. Landscapes build up a hierarchic system and cover the whole surface. On Earth, landscapes can be classified and qualified according to their characteristics: relief forms (morphology), and its potential economic value. Aesthetic and subjective parameters can also be considered. Using the data from landers and data from orbiters we can now classify planetary landscapes (these can be used as geologic mapping units as well). By looking at a unknown landscape, we can determine the processes that created it and its development history. This was the case in the Pathfinder/Sojourner panoramas. [2]. DISCUSSION Planetary landscape evolution. We can draw a raw landscape develop- ment history by adding the different landscape building elements to each other. This has a strong connection with the planet's thermal evolution (age of the planet or the present surface materials) and with orbital parameters (distance from the central star, orbit excentricity etc). This way we can build a complex system in which we use differ- ent evolutional stages of lithologic, atmospheric, hydrologic and biogenic conditions which determine the given - Solar System or exoplanetary - landscape. Landscape elements. "Simple" landscapes c