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Sample records for complex paraiba state

  1. Distribution of dermatophytes from soils of urban and rural areas of cities of Paraiba State, Brazil.

    Science.gov (United States)

    Pontes, Zélia Braz Vieira da Silva; Oliveira, Aurylene Carlos de; Guerra, Felipe Queiroga Sarmento; Pontes, Luiz Renato de Araújo; Santos, Jozemar Pereira dos

    2013-01-01

    The dermatophytes, keratinophilic fungi, represent important microorganisms of the soil microbiota, where there are cosmopolitan species and others with restricted geographic distribution. The aim of this study was to broaden the knowledge about the presence of dermatophytes in soils of urban (empty lots, schools, slums, squares, beaches and homes) and rural areas and about the evolution of their prevalence in soils of varying pH in cities of the four mesoregions of Paraiba State, Brazil. Soil samples were collected from 31 cities of Paraiba State. Of 212 samples, 62% showed fungal growth, particularly those from the Mata Paraibana mesoregion (43.5%), which has a tropical climate, hot and humid. Soil pH varied from 4.65 to 9.06, with 71% of the growth of dermatophytes occurring at alkaline pH (7.02 - 9.06) (ρ = 0.000). Of 131 strains isolated, 57.3% were geophilic species, particularly Trichophyton terrestre (31.3%) and Mycrosporum gypseum (21.4%). M. nanum and T. ajelloi were isolated for the first time in Paraiba State. The zoophilic species identified were T. mentagrophytes var. mentagrophytes (31.3 %) and T. verrucosum (7.6 %), and T. tonsurans was isolated as an anthropophilic species. The soils of urban areas including empty lots, schools, slums and squares of cities in the mesoregions of Paraiba State were found to be the most suitable reservoirs for almost all dermatophytes; their growth may have been influenced by environmental factors, soils with residues of human and/or animal keratin and alkaline pH.

  2. Shoshonitic intrusion magmatism in Pajeu-Paraiba belt: the Bom Jardim complex

    International Nuclear Information System (INIS)

    Guimaraes, I.P. de; Silva Filho, A.F. da

    1990-01-01

    The Bom Jardim complex is a multi phase intrusion emplaced within the basement of the Pajeu-Paraiba belt, in the Borborema province, N.E., Brazil, during the Pan African (Brasiliano) orogeny, 600 Ma ago. The Bom Jardim complex is primarily composed of monzonites and syenites with subordinated granites. The major and trace elements geochemistry has established a shoshonitic affinity for the monzonite-syenite assemblages, whereas the granites are clearly of a high-K calc-alkaline character. The main geochemical trends determined for the complex are the result of fractionation of mainly amphibole, biotite, alkali feldspar ±clinopyroxene within the developing magmas. The enrichment in transition metal elements, LILE and high LILE/HSFE ratios, coupled with an initial Sr sup(87)/Sr sup(86) ratio of 0.70709 is consistent with a subduction related magma source. (author)

  3. Characterization of the raw-materials used in ceramic tiles in the state of Paraiba - Brazil

    International Nuclear Information System (INIS)

    Marinho, Rosa Maria; Pontes, Luiz Renato de; Lira, Belarmino B.

    1997-01-01

    Knowledge of physical, chemical and mineralogical properties of ceramics basic materials may provide valuable information for their proper application. This work searches for characterization of basic materials (plastic and not plastic) used for optimization of ceramic tiles, classified as monoporosa production in Paraiba State. The further study will be conducted on basis of ceramic material characterization in order to develop a new mass for production of ceramic tiles. The study will be done on basis of X-ray diffraction, chemical, physical and mineralogical analysis. (author)

  4. [Research program for the Brazilian Unified Health System (SUS): the contribution to health management and services in Paraiba State, Brazil].

    Science.gov (United States)

    Celino, Suely Deysny de Matos; Costa, Gabriela Maria Cavalcanti; França, Inácia Sátiro Xavier de; Araújo, Ednaldo Cavalcante de

    2013-01-01

    The shared management in health of the Research Program for the Unified Health System (PPSUS) has the purpose of funding research in priority areas for the health of the Brazilian population. The scope of this qualitative study is to understand the researchers' perception of the contribution of research funded by the PPSUS invitations to bid in the State of Paraiba, for resolving the priority health problems of the Paraiba population, for reducing regional inequalities in health and for bolstering the management of SUS. A documentary survey of the bids and final reports of research and a semi-structured interview with 28 coordinators of these studies was conducted. Triangulation strategy of data was used and subsequently subjected to content analysis, which converged with the categories: solving the health problems; reducing regional inequalities; contribution to management. Paraiba state needs adjustments such that the PPSUS can be fully implemented, ensuring that the knowledge generated can be converted into health policies and actions, since the research funded respond to the health needs of the population and difficulties in SUS management.

  5. Coexistence and mixing of magmas in the late precambrian Itaporanga batholith, State of Paraiba, Northeastern Brazil

    International Nuclear Information System (INIS)

    Mariano, G.; Sial, A.N.

    1990-01-01

    The Precambrian Cachoeirinha-Salgueiro Fold Belt (CSF) located in the western portion of the states of Pernambuco and Paraiba is intruded, in its northern portion, by several coarsely porphyritic potassic calc-alkalic batholiths. These batholiths were syntectonically emplaced in relation to the Brasiliano cycle (=Pan-African) and are commonly associated with potassium diorites suggesting coexistence and mixing between felsic and mafic magmas. In the Itaporanga batholith three petrographic domains were mapped. A hybrid zone characterized by intense mechanical mixing of granite to granodiorite and potassium diorite magmas is located towards the border of the batholith. A commingling zone where felsic porphyritic granite to granodiorite and potassium diorite rocks are individualized at outcrop scale is located towards the center of the batholith. Finally a felsic porphyritic facies occur in the hybrid zone. Similarity among chemical analyses of amphiboles from potassium dioritic enclaves of the Itaporanga batholith and from the potassium diorite stock east of it suggest a common source for both magmas. This hypothesis is corroborated by similar REE patterns for potassium dioritic enclaves of the Itaporanga batholith and for the potassium diorite stock. The batholith shows a well developed foliation which dips towards its core suggesting that the present level of exposure represents the root zone of a diapir, where intense interaction between felsic and mafic magmas took place. (author)

  6. Quantitative analysis of savanna wood species, in Teixeira, state of Paraiba, Brazil

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    José Adelmo Nunes Leite

    2015-06-01

    Full Text Available Savanna is the vegetation of semi-arid northeastern region of Brazil, which is largely determined by climate and topography. The municipality of Teixeira in the state of Paraiba presents hyperxerophilous shrub-arboreal caatinga land cover, which differs in size and density from those found in Sertaneja Depression, due to higher humidity. The objective of this work was to quantify forest remnant in the municipality of Teixeira, using geographic information system and forest inventory techniques. Native vegetation was mapped using satellite images, from November, 2008. Forest inventory was carried out in 40 sample plots (20 m × 20 m that were selected systematically. Height and diameter at 1.30 m from soil level (DBH were measured in every tree with DBH ≥ 10 cm. Each tree was identified by common and scientific names. A total of 4,911 trees were sampled, representing 46 species and 24 families that corresponds to 3,069 trees ha-1. The species with highest importance value (IV were: Croton sonderianus, Mimosa tenuiflora and Piptadenia stipulacea and the more important families were Euphorbiaceae, Mimosaceae and Caesalpinaceae. The municipality of Teixeira has its best preserved areas in mountainous regions with difficult access.

  7. Chemical modification of clay from the state of vermiculite Paraiba for use in nanocomposites of thermoset matrices

    International Nuclear Information System (INIS)

    Freitas, W.A.; Alves, T.S.; Barbosa, R.

    2011-01-01

    Vermiculite is a hydrated aluminosilicate of magnesium, iron and aluminum flake shape, formed by stacking cells 2:1 and feature high cation exchange capacity. In the present study was performed the treatment of an expanded vermiculite clay from Paraiba state with surfactant agent, in order to make it organophilic and allow its use in thermoset matrix nanocomposites. The natural clay and organophilizated one were characterized by X-Ray Diffraction (XRD), by Fourier Transform Infra-Red spectroscopy (FTIR) and swelling of Foster's swelling. The results indicated a change in the chemical composition of clay, related to the presence of characteristic groups of the salt in the clay and an increase of up to 124% in the basal interlayer distance. The chemical modification of the clay was efficient, indicating the possibility to apply the clay in polymeric nanocomposites. (author)

  8. Injuries caused by venomous animals and folk medicine in farmers from Cuité, State of Paraiba, Northeast of Brazil

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    Hellyson Fidel Araújo de Oliveira

    2013-09-01

    Full Text Available Injuries caused by venomous animals reported by the agricultural workers from the municipality of Cuité, Curimataú region of Paraiba State, Northeast of Brazil, and the practices of folk medicine which they use to treat these cases were studied in this work from June to August 2010. The farmers studied aged from 11 to 90 years. The number of people who reported cases of injury by these animals in their families was high (89.3%. Scorpions, wasps, bees and snakes were the most cited and the extremities of the body (hands, feet, legs and head were the most affected. The practice of folk medicine to treat these injuries includes various procedures ranging from ritualistic treatments, use of animals or parts of them, and some herbal preparations. The folk treatment was reported as effective by most of the workers injured (63.9%. Body parts of dead snakes are used in various zootherapic treatments. In the imaginary of the agricultural workers the venomous animals are considered hazardous (48.7% or disgusting (11.3%, and several parts of such animals as the rattle, bee sting or snake leather are used as amulet. Several legends have also been reported about snakes, scorpions and bees. The need for educational activities that aim to clarify these workers about the dangers of such practices is urgent.

  9. Dispersal syndromes in the largest protection area of the Atlantic Forest in the state of Paraiba, Brazil

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    Camila Ângelo Jerônimo Domingues

    2013-09-01

    Full Text Available The diaspore dispersal process is crucial for plant reproduction, since the diaspores must reach a suitable site to germinate. This paper aimed to study morphological aspects of diaspores and determine the dispersal syndromes of species occurring in the largest protection area of the Atlantic Forest in the state of Paraiba, Brazil, the Guaribas Biological Reserve. One conducted a monthly collection of fruits/seeds within the period from September 2007 to February 2009. All diaspores of the fruiting species were collected. After analyzing characteristics such as fruit and seed consistency, odor, color, size, and weight, one determined the dispersal syndrome of each species. One collected 3,080 diaspores belonging to 136 different species distributed into 27 families. Zoochory was the most abundant dispersal syndrome (58%, with 79 fruits adapted to it, followed by autochory (29%, and anemochory (13%. Throughout the study period, one found fruiting species, with a predominance of zoochoric fruits, a predictable fact in the Atlantic Forest, which provides fleshy fruits all the year round.

  10. Geomorphological and morphometric analysis of the river basin of Salsa, south coast of the state of Paraiba / Brazil

    International Nuclear Information System (INIS)

    Barbosa, M.E.; Nascimento, J.; Furrier, M.

    2010-01-01

    This paper aims to extend the knowledge on the geomorphology of the river basin of Salsa , located in the municipality of Conde, State of Paraíba / Brazil . The research was to develop guiding object thematic maps related to morphometric aspects of the basin such as fluvial hierarchy , hypsometric and slope . After obtaining the morphometric data can assess the likely tectonic influences on the morphology of this basin. Literature searches , acquisition and analysis of cartographic data (satellite imagery , topographic and thematic maps), where with the help of software SPRING 5:03 , were made the thematic maps of the basin : For this research, the following milestones have been met. In addition, there have been two topographic profiles of the area through which it was possible to further analyze the geomorphological aspects and clinográficos watershed. Already in possession of the first results of this research it was observed with the analysis of charts and topographic profiles the high level of dissection Barriers Training and dissection of this discrepancy between the left and right margins . Barriers in Education, was observed indicative of tectonics from setbacks headwater quite different slots and obsequente towards the River Salsa (SN), which is discordant from the direction of the main waterways and Training Barriers own inclination is that WE . These findings are important because the geomorphological analysis of litoestatigráfica unit is of paramount importance for the understanding of the mechanisms governing the morphology of the northeast coast, mainly in relation to the mechanisms that govern the morphology of watersheds coast of Paraiba

  11. Accidents caused by Bothrops and Bothropoides in the State of Paraiba: epidemiological and clinical aspects.

    Science.gov (United States)

    Oliveira, Fagner Neves; Brito, Monalisa Taveira; Morais, Isabel Cristina Oliveira de; Fook, Sayonara Maria Lia; Albuquerque, Helder Neves de

    2010-01-01

    Bothrops and Bothropoides snakes cause 70% of the ophidic accidents in Brazil. The species that cause ophidic accidents in State of Paraíba are Bothropoides erythromelas, Bothrops leucurus and Bothropoides neuwiedi. This is a prospective and transverse study, following a quantitative approach of accidents involving Bothrops and Bothropoides admitted to the Toxicological Assistance and Information Centers of Campina Grande and João Pessoa (Ceatox-CG and Ceatox-JP), aimed at identifying the epidemiological and clinical profile of such accidents. All of the patients admitted had medical diagnoses and were monitored at Ceatox-CG or Ceatox-JP. The genera Bothrops and Bothropoides caused 91.7% of the ophidic accidents reported. Snake bites were frequent in men (75.1%), rural workers (65.1%), literate individuals (69%) between 11 and 20 years-old (21.7%), and toes the most common area attacked (52.7%). Most (86.6%) patients were admitted within 6 hours after the accident/bite, with a predominance of mild cases (64.6%). The annual occurrence in Paraíba was 5.5 accidents/100,000 inhabitants and lethality was 0.2%. Positive changes in the profiles of these accidents were verified, such as the non-application of inadequate solutions, including the use of tourniquet, coffee grounds, garlic, suction and/or cutting the bitten area. Moreover, the Itinerant Laboratory project, linked to Paraíba State University in partnership with Ceatox-CG, has contributed positively, providing several cities of the state with information regarding the prevention of accidents involving venomous animals. The local press has also contributed, reporting the educational work developed by the centers.

  12. Characterization of Paraiba state, Brazil, clays used for clearing of oil of frying for application as bio fuel; Cacterizacao de argilas do estado da Paraiba, Brasil, utilizaadas para clareamento de oleos de fritura usados para aplicacao como biobombustivel

    Energy Technology Data Exchange (ETDEWEB)

    Araujo, E.P.; Oliveira, S.V. de; Medeiros, K.M. de; Araujo, E.M.; Fook, M.V.L. [Universidade Federal de Campina Grande (DEMa/UFCG), PB (Brazil). Dept. de Engenharia de Materiais], e-mail: elainepatriciaaraujo@yahoo.com.br

    2008-07-01

    The search for new sources of renewable energy order to minimize environmental impacts has led the scientists to develop new alternatives, such as the use of recycling of frying oils to produce biodiesel. The reuse of these oils has the advantage of obtaining a biofuel with the cost / benefit competitive. However, the conditions of post-consumer oils require treatment prior to its conversion the chemical (transesterification), removing solid particulate contaminants and adjusting its color using the clay of Paraiba. The use of biodiesel as fuel presents a reduction of levels of environmental pollution. This study aimed to characterize clay of Paraiba to be used in the clearing of frying oil. It was observed through the results of the Xray fluorescence (XRF) and infrared spectroscopy by Fourier Transform (FTIR), which the clays tested, have been effective in clearing of frying oils, making them similar to oil 'virgin'. (author)

  13. Soil fertility and 137 Cs redistribution as related to land use, landscape and texture in a watershed of Paraiba State

    International Nuclear Information System (INIS)

    Santos, Antonio Clementino dos

    2004-03-01

    Intensive land use and growing deforestation of the natural vegetation in Northeastern Brazil have contributed to the degradation of resources, particularly the decrease of soil fertility. As a result, biodiversity and ecosystem capacity to restore its resources after disturbances have been diminished. The decrease in soil fertility is more substantial in areas dominated by an undulating topography. In these areas, erosion is intensified when crops or pasture replaces natural vegetation. Even though degradation processes are reflected in environmental, social, and economical changes, there is a lack of information regarding the interrelationship between these changes and soil fertility and erosion. Thus, the 'Vaca Brava' watershed (14,04 km 2 ), located in the 'Agreste' region of Paraiba State, was selected to study the interrelationships between land use, landscape, particle size distribution, soil fertility and erosion using 137 Cs redistribution. Small farms, where subsistence agriculture is intensive, are common in this watershed, as well as areas for environmental protection. A georreferenced survey of the watershed topography was initially carried out. Based on the survey data, the watershed was digitalized using a scale of 1:5000, and a 3-D map was created. Each landform element had its area determined on a area (absolute value) and percentage (relative value) basis. Shoulder, backslope and footslope positions represented 83% of the cultivated area in the watershed. A data base of 360 georreferenced soil samples (0-20 cm), collected using a stratified sampling scheme, was further created. Sites were stratified based on their landscape position (summit, shoulder, backslope, footslope, and toeslope) in factorial combination with land use (annual crops, pasture, Pennisetum purpureum, Mimosa caesalpiniae folia, bush fallow, and native forest). Physical analyses of the soil samples included particle size distribution and bulk density, whereas soil chemical

  14. Geology of the Curimatau medium region (Paraiba State, Brazil) and the emplacement of the Dona Ines granite associated to the Brasiliano transcurrent shear zones

    International Nuclear Information System (INIS)

    Borges, Sergio Vieira Freire

    1996-01-01

    In an area of about 700 Km 2 located in the northeast of Paraiba State and having as main point the town of Dona Ines, a geologic/structural mapping, a gravimetric survey and radiometric dating using the Rb/Sr method in whole rock and Sm.Nd model ages were undertaken in order to study and to understand the geology of this portion of terrain, the emplacement of the Dona Ines granitoids and its relationship with the enclosing rocks and the deformation acting at the time of the intrusion. The age of the pluton of Dona Ines was determined by the Rb/Sr whole rock method as 560 ± 20 Ma (end of Brasiliano Cycle in the region). Sm.Nd model ages in granitoids of Araras, Belem and Dona Ines have revealed paleoproterozoic ages for their crustal sources, as indicated by the negative ε nd of this rock

  15. Geologic evolution of the Paraiba do Sul complex, in the central part of the Ribeira belt, based on the geochemistry and U-Pb geochronology studies

    International Nuclear Information System (INIS)

    Valladares, Claudia Sayao

    1996-01-01

    Aiming the definition of the Complexo Paraiba do Sul evolution, the work presents a geochronological approach by the U-Pb method, considered appropriate to study polideformed terrains. The minerals used to the U-Pb dating (zircon, titanite and monazite) provides information about the ages of rock generation and the successive geological events the rocks were submitted. The U-Pb geochronological approach is pioneer in the investigated area and two questions referent to the Complexo Paraiba do Sul evolution in the central part of the Ribeira belt, were the aim of this approach. The first of them refers to the crystallization epoch and the gneisses metamorphism, interpreted here like orthogneisses, called Unidade Quirino of the Complexo Paraiba do Sul. The second refers to the metamorphism ages and meta sedimentary unit deformation. Looking for the contribution to the Complexo Paraiba do Sul evolution understanding, this work presents the data based on the geologic map of this area, comprising part of the Folha Volta Redonda (1:50.000), including petrographic, structural and microtectonic studies. It also presents and discusses the results of: 17 U-Pb analysis in zircon and titanite of the Complexo Paraiba do Sul orthogneisses collection; 24 geochemical analysis of major, minor, trace elements and ETR of the same collection; an U-Pb analysis in titanite of the Unidade Sao Joao, 5 U-Pb analysis in titanites and/or monazites of granites and granitoids; 12 geochemical analysis including major, minor and trace elements and ETR, in granites and sills of leucogranites. Finally, the data achieved were integrated with the objective to elaborate an evolutive view of the Complexo Paraiba do Sul

  16. Treatment of post-consumption oils from Paraiba state - Brazil - clays for application as bio fuel; Tratamento de oleos pos-consumo a partir de argilas da Paraiba para aplicacao como biocombustivel

    Energy Technology Data Exchange (ETDEWEB)

    Araujo, E.P.; Oliveira, S.V. de; Medeiros, K.M. de; Silva, D.F. da; Araujo, E.M.; Fook, M.V.L. [Universidade Federal de Campina Grande (DEMa/UFCG), PB (Brazil). Dept. de Engenharia de Materiais], e-mail: elainepatriciaaraujo@yahoo.com.br

    2008-07-01

    The utilization of fuels of agricultural origin in the cycle diesel engines is a good alternative to reduce dependence on importation petroleum, since these fuels are a renewable source of energy. The utilization of biodiesel as biofuel is a contribution to the environment, reducing the qualitative and quantitative form levels of environmental pollution. The recycling of post-consumption oil helps reduce the uncontrolled disposal and environmentally dangerous, than to obtain fuel with a cost / benefit and offering a competitive alternative commercial advantage. However, these oils should go through a process of decontamination and clearing up the stage of chemical conversion which is used clay to lighten the oil. This work had as its objective to make a literature revision evaluating the potential of the clearing clay modified in Paraiba, used in post-consumption oils for application as biofuel. (author)

  17. Evaluation of demand for water and electricity for papaya micro sprinkler irrigation system in Paraiba state, Brazil; Avaliacao das demandas de agua e energia eletrica para mamao irrigado por microaspersao no estado da Paraiba

    Energy Technology Data Exchange (ETDEWEB)

    Lopes, Riuzuani Michelle Bezerra Pedrosa; Dantas Neto, Jose; Farias, Soahd Arruda Rached Farias; Azevedo, Carlos Alberto Vieira de [Universidade Federal de Campina Grande (UAEAG/UFCG), PB (Brazil). Centro de Tecnologia e Recursos Naturais. Unidade Academica de Engenharia Agricola], Emails: riuzuani@yahoo.com.br, zedantas@deag.ufcg.edu.br, soahd_rached@hotmail.com, cazevedo@deag.ufcg.edu.br

    2010-07-01

    This study aimed to conduct an assessment on the demands for water and electricity for fruit irrigated by micro sprinkler irrigation in agricultural planning. We obtained the demands of gross water and electricity for papaya in 15 municipalities spread over the Rio Paraiba-PB, which was used by micro irrigation system with 90% application efficiency. The city of Joao Pessoa is the place to lower water consumption, requiring 32.9% of the amount required for papaya in Exile, which had the highest annual and daily evapotranspiration, combined with the lowest annual rainfall likely at a 75 % probability. The municipalities were chosen because they had a greater variance in terms of climate, in order to examine various irrigation demands. In Exile is a necessary volume of water-to 8.006,9 m{sup 3}.ha{sup -1}.year{sup -1} to produce one hectare of papaya while in Joao Pessoa need to 2.712,89 m{sup 3}.ha-1.year{sup -1}. The consumption of electricity in the city of Desterro is higher among the cities studied, necessitating 2.009,0 kW.ha{sup -1}.ano{sup -1} to produce one hectare of papaya, while in Joao Pessoa we only need 876,54 kW.ha {sup -1}.ano{sup -1} (author)

  18. Geologic evolution of the Paraiba do Sul complex, in the central part of the Ribeira belt, based on the geochemistry and U-Pb geochronology studies; Evolucao geologica do complexo Paraiba do Sul, no segmento central da faixa Ribeira, com base em estudos de geoquimica e geocronologia U-Pb

    Energy Technology Data Exchange (ETDEWEB)

    Valladares, Claudia Sayao

    1996-12-31

    Aiming the definition of the Complexo Paraiba do Sul evolution, the work presents a geochronological approach by the U-Pb method, considered appropriate to study polideformed terrains. The minerals used to the U-Pb dating (zircon, titanite and monazite) provides information about the ages of rock generation and the successive geological events the rocks were submitted. The U-Pb geochronological approach is pioneer in the investigated area and two questions referent to the Complexo Paraiba do Sul evolution in the central part of the Ribeira belt, were the aim of this approach. The first of them refers to the crystallization epoch and the gneisses metamorphism, interpreted here like orthogneisses, called Unidade Quirino of the Complexo Paraiba do Sul. The second refers to the metamorphism ages and meta sedimentary unit deformation. Looking for the contribution to the Complexo Paraiba do Sul evolution understanding, this work presents the data based on the geologic map of this area, comprising part of the Folha Volta Redonda (1:50.000), including petrographic, structural and microtectonic studies. It also presents and discusses the results of: 17 U-Pb analysis in zircon and titanite of the Complexo Paraiba do Sul orthogneisses collection; 24 geochemical analysis of major, minor, trace elements and ETR of the same collection; an U-Pb analysis in titanite of the Unidade Sao Joao, 5 U-Pb analysis in titanites and/or monazites of granites and granitoids; 12 geochemical analysis including major, minor and trace elements and ETR, in granites and sills of leucogranites. Finally, the data achieved were integrated with the objective to elaborate an evolutive view of the Complexo Paraiba do Sul 157 refs., 54 figs., 17 tabs.

  19. Geologic evolution of the Paraiba do Sul complex, in the central part of the Ribeira belt, based on the geochemistry and U-Pb geochronology studies; Evolucao geologica do complexo Paraiba do Sul, no segmento central da faixa Ribeira, com base em estudos de geoquimica e geocronologia U-Pb

    Energy Technology Data Exchange (ETDEWEB)

    Valladares, Claudia Sayao

    1997-12-31

    Aiming the definition of the Complexo Paraiba do Sul evolution, the work presents a geochronological approach by the U-Pb method, considered appropriate to study polideformed terrains. The minerals used to the U-Pb dating (zircon, titanite and monazite) provides information about the ages of rock generation and the successive geological events the rocks were submitted. The U-Pb geochronological approach is pioneer in the investigated area and two questions referent to the Complexo Paraiba do Sul evolution in the central part of the Ribeira belt, were the aim of this approach. The first of them refers to the crystallization epoch and the gneisses metamorphism, interpreted here like orthogneisses, called Unidade Quirino of the Complexo Paraiba do Sul. The second refers to the metamorphism ages and meta sedimentary unit deformation. Looking for the contribution to the Complexo Paraiba do Sul evolution understanding, this work presents the data based on the geologic map of this area, comprising part of the Folha Volta Redonda (1:50.000), including petrographic, structural and microtectonic studies. It also presents and discusses the results of: 17 U-Pb analysis in zircon and titanite of the Complexo Paraiba do Sul orthogneisses collection; 24 geochemical analysis of major, minor, trace elements and ETR of the same collection; an U-Pb analysis in titanite of the Unidade Sao Joao, 5 U-Pb analysis in titanites and/or monazites of granites and granitoids; 12 geochemical analysis including major, minor and trace elements and ETR, in granites and sills of leucogranites. Finally, the data achieved were integrated with the objective to elaborate an evolutive view of the Complexo Paraiba do Sul 157 refs., 54 figs., 17 tabs.

  20. Evaluation of the mineralogical characterization of several smectite clay deposits of the state of Paraiba, Brazil using statistical analysis of variance; Avaliacao da caracterizacao mineralogica de diversos depositos de argilas esmectiticas do estado da Paraiba utilizando analise estatistica de variancia

    Energy Technology Data Exchange (ETDEWEB)

    Gama, A.J.A.; Menezes, R.R.; Neves, G.A.; Brito, A.L.F. de, E-mail: agama@reitoria.ufcg.edu.br [Universidade Federal de Campina Grande (UFCG), PB (Brazil)

    2015-07-01

    Currently over 80% of industrialized bentonite clay produced in Brazil in sodium form for use in various industrial applications come from the deposits in Boa Vista - PB. Recently they were discovered new bentonite deposits situated in the municipalities of Cubati - PB, Drawn Stone - PB, Sossego - PB, and last in olive groves - PB, requiring systematic studies to develop all its industrial potential. Therefore, this study aimed to evaluate chemical characterization several deposits of smectite clays from various regions of the state of Paraíba through the analysis of statistical variance. Chemical analysis form determined by fluorescence x-ray (EDX). Then analyzes were carried out of variance statistics and Tukey test using the statistical soft MINITAB® 17.0. The results showed that the chemical composition of bentonite clay of new deposits showed different amounts of silica, aluminum, magnesium and calcium in relation clays in Boa Vista, and clays imported. (author)

  1. Determination of the equivalent doses due to the ingestion of radionuclides from the uranium and thorium series presents in drinking waters of the region of Santa Luzia, Paraiba state, Brazil; Determinacao das doses equivalentes devido a ingestao de radionuclideos das series do uranio e torio presentes em aguas de consumo do municipio de Santa Luzia, estado da Paraiba

    Energy Technology Data Exchange (ETDEWEB)

    Pastura, Valeria F. da S., E-mail: vpastura@cnen.gov.b [Comissao Nacional de Energia Nuclear (DRSN/CNEN), Rio de Janeiro, RJ (Brazil). Diretoria de Radioprotecao e Seguranca Nuclear. Coordenacao de Materias Primas e Minerais; Campos, Thomas F. da C.; Petta, Reinaldo A., E-mail: thomascampos@geologia.ufrn.b, E-mail: petta@geologia.ufrn.b [Universidade Federal do Rio Grande do Norte (LARANA/UFRN), Natal, RN (Brazil). Lab. de Radioatividade Natural

    2011-10-26

    This paper determined the original dose equivalents from radionuclides of uranium and thorium series in a drinking water of well which is supplied to the population of Santa Luzia, Paraiba state, Brazil. The collected waters are near to the mineralized phlegmatic bodies in rose quartz and amazonite feldspar. Radiometric measurements performed on the feldspar vein point out counting ratios surrounding 30000 cps and the analysis of collected samples of minerals presented tenors for the {sup 226}Ra and {sup 219}Pb varying from 0.50 to 2.30 Bq/sw. For determination of concentration of radionuclides U{sub Total}, {sup 226}Ra, {sup 228}Ra and {sup 219}Pb, found in the not desalinated, two methods were used, spectrophotometry with arsenazo and radiochemistry, both realized in the CNEN-LAPOC laboratories. For the calculation of dose equivalent it was taken into consideration the following parameters: the dose coefficients for incorporation by ingestion for public individuals with ages over 17 years (Norma CNEN-NN-3.01, Regulatory Position 3.01/011) and daily ingestion of 4 liters of water, which is over the recommended by the WHO of 2L/day - 1993. The obtained values were compared with the reference value for compromised dose equivalent established by WHO for evaluate the risk potential to the health of population, by ingestion. The radionuclide concentrations in the wells varies from 0.054 to 0.21 Bq/L, resulting dose equivalents of 3.94 x 10{sup -3} mSv/year and 0.17 mSv/year in the studied population

  2. Natural radioactivity in rocks from Paraiba Sertao, Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Damascena, Kennedy F.R.; Santos Junior, Jose A. dos; Amaral, Romilton dos S.; Bezerra, Jairo D.; Rojas, Lino V.; Medeiros, Nilson V. da S.; Silva, Alberto A. da; Santos, Josineide M. do N.; Santos Junior, Otavio P. dos, E-mail: kennedy.eng.ambiental@gmail.com, E-mail: jaraujo@ufpe.br, E-mail: romilton@ufpe.br, E-mail: alberto.silva@barreiros.ifpe.edu.br, E-mail: linomarvic@gmail.com, E-mail: otavio.santos@vitoria.ifpe.edu.br [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil); Instituto Federal de Educacao, Ciencia e Tecnologia de Pernambuco (IFPE), Barreiros, PE (Brazil); Centro de Aplicaciones Tecnologicas y Dessarrollo Nuclear (CEADEN), La Habana (Cuba)

    2017-11-01

    Northeastern Brazil is a region with a large number of natural radioactive occurrences. Monitoring studies carried out over the last 30 years have identified a hundred anomalous points, especially in the State of Paraiba, more specifically the region of Serido Ocidental Paraibano, geologically characterized by the presence of rocky outcrops with radioactive materials associated with granites and pegmatites. Regions with differentiated levels of natural radioactivity and, consequently, greater radioecological relevance, have been the constant object of radiometric and dosimetric studies. Considering their relevance, the present study aimed to evaluate the levels of natural radioactivity in rocks located in the Riacho da Serra and Serra dos Porcos, previously unmonitored, located in the municipalities of Sao Jose do Sabugi and Santa Luzia, in Paraiba, Northeast of Brazil. The radiometric evaluation was performed by measuring the specific activities of U-238, Th-232 and K-40 in rock samples using a high resolution gamma spectrometry system. The mean specific activities of U-238, Th-232 and K-40 were: 2562.30 ± 672.22; 180.68 ± 672.22 and 1374.13 ± 36.90 Bq/kg, respectively. The monitored radionuclides presented high values of specific activity, being 1.6; 4.1 and 71.2 times higher than the mean values for the earth's crust. (author)

  3. Natural radioactivity in rocks from Paraiba Sertao, Brazil

    International Nuclear Information System (INIS)

    Damascena, Kennedy F.R.; Santos Junior, Jose A. dos; Amaral, Romilton dos S.; Bezerra, Jairo D.; Rojas, Lino V.; Medeiros, Nilson V. da S.; Silva, Alberto A. da; Santos, Josineide M. do N.; Santos Junior, Otavio P. dos

    2017-01-01

    Northeastern Brazil is a region with a large number of natural radioactive occurrences. Monitoring studies carried out over the last 30 years have identified a hundred anomalous points, especially in the State of Paraiba, more specifically the region of Serido Ocidental Paraibano, geologically characterized by the presence of rocky outcrops with radioactive materials associated with granites and pegmatites. Regions with differentiated levels of natural radioactivity and, consequently, greater radioecological relevance, have been the constant object of radiometric and dosimetric studies. Considering their relevance, the present study aimed to evaluate the levels of natural radioactivity in rocks located in the Riacho da Serra and Serra dos Porcos, previously unmonitored, located in the municipalities of Sao Jose do Sabugi and Santa Luzia, in Paraiba, Northeast of Brazil. The radiometric evaluation was performed by measuring the specific activities of U-238, Th-232 and K-40 in rock samples using a high resolution gamma spectrometry system. The mean specific activities of U-238, Th-232 and K-40 were: 2562.30 ± 672.22; 180.68 ± 672.22 and 1374.13 ± 36.90 Bq/kg, respectively. The monitored radionuclides presented high values of specific activity, being 1.6; 4.1 and 71.2 times higher than the mean values for the earth's crust. (author)

  4. Determination of the equivalent doses due to the ingestion of radionuclides from the uranium and thorium series presents in drinking waters of the region of Santa Luzia, Paraiba state, Brazil

    International Nuclear Information System (INIS)

    Pastura, Valeria F. da S.; Campos, Thomas F. da C.; Petta, Reinaldo A.

    2011-01-01

    This paper determined the original dose equivalents from radionuclides of uranium and thorium series in a drinking water of well which is supplied to the population of Santa Luzia, Paraiba state, Brazil. The collected waters are near to the mineralized phlegmatic bodies in rose quartz and amazonite feldspar. Radiometric measurements performed on the feldspar vein point out counting ratios surrounding 30000 cps and the analysis of collected samples of minerals presented tenors for the 226 Ra and 219 Pb varying from 0.50 to 2.30 Bq/sw. For determination of concentration of radionuclides U Total , 226 Ra, 228 Ra and 219 Pb, found in the not desalinated, two methods were used, spectrophotometry with arsenazo and radiochemistry, both realized in the CNEN-LAPOC laboratories. For the calculation of dose equivalent it was taken into consideration the following parameters: the dose coefficients for incorporation by ingestion for public individuals with ages over 17 years (Norma CNEN-NN-3.01, Regulatory Position 3.01/011) and daily ingestion of 4 liters of water, which is over the recommended by the WHO of 2L/day - 1993. The obtained values were compared with the reference value for compromised dose equivalent established by WHO for evaluate the risk potential to the health of population, by ingestion. The radionuclide concentrations in the wells varies from 0.054 to 0.21 Bq/L, resulting dose equivalents of 3.94 x 10 -3 mSv/year and 0.17 mSv/year in the studied population

  5. Soil fertility and {sup 137} Cs redistribution as related to land use, landscape and texture in a watershed of Paraiba State; Fertilidade do solo e redistribuicao de {sup 137} Cs em funcao da cobertura vegetal, relevo, e classes texturais, em uma microbacia hidrografica do Estado da Paraiba

    Energy Technology Data Exchange (ETDEWEB)

    Santos, Antonio Clementino dos

    2004-03-15

    Intensive land use and growing deforestation of the natural vegetation in Northeastern Brazil have contributed to the degradation of resources, particularly the decrease of soil fertility. As a result, biodiversity and ecosystem capacity to restore its resources after disturbances have been diminished. The decrease in soil fertility is more substantial in areas dominated by an undulating topography. In these areas, erosion is intensified when crops or pasture replaces natural vegetation. Even though degradation processes are reflected in environmental, social, and economical changes, there is a lack of information regarding the interrelationship between these changes and soil fertility and erosion. Thus, the 'Vaca Brava' watershed (14,04 km{sup 2}), located in the 'Agreste' region of Paraiba State, was selected to study the interrelationships between land use, landscape, particle size distribution, soil fertility and erosion using {sup 137} Cs redistribution. Small farms, where subsistence agriculture is intensive, are common in this watershed, as well as areas for environmental protection. A georreferenced survey of the watershed topography was initially carried out. Based on the survey data, the watershed was digitalized using a scale of 1:5000, and a 3-D map was created. Each landform element had its area determined on a area (absolute value) and percentage (relative value) basis. Shoulder, backslope and footslope positions represented 83% of the cultivated area in the watershed. A data base of 360 georreferenced soil samples (0-20 cm), collected using a stratified sampling scheme, was further created. Sites were stratified based on their landscape position (summit, shoulder, backslope, footslope, and toeslope) in factorial combination with land use (annual crops, pasture, Pennisetum purpureum, Mimosa caesalpiniae folia, bush fallow, and native forest). Physical analyses of the soil samples included particle size distribution and bulk density

  6. Termorregulação e desempenho de tourinhos Sindi e Guzerá, no agreste paraibano Thermoregulation and performance of Sind and Guzera young bulls in 'Agreste' region of Paraiba state

    Directory of Open Access Journals (Sweden)

    Dermeval A. Furtado

    2012-09-01

    Full Text Available Neste trabalho objetivou-se avaliar os índices bioclimáticos que influenciam as varáveis fisiológicas, desempenho e consumo de nutrientes de tourinhos das raças Gir e Guzerá. O estudo foi realizado na Estação Experimental de Alagoinha/EMEPA-PB, no município de Alagoinha, no agreste paraibano, Brasil, utilizando-se 16 tourinhos das raças Sindi e Guzerá (8 animais de cada raça, com média de 31,5 ± 1,5 meses de idade, mantidos confinados. O delineamento estatístico utilizado foi o de blocos inteiramente casualizados, com 8 repetições, em parcelas subdivididas, com raça na parcela principal e horários (6, 12 e 16 h na subparcela. A temperatura retal, frequência respiratória e temperatura superficial dos animais se mantiveram dentro da faixa considerada normal para a espécie bovina. Não houve influência negativa no consumo de nutrientes e os animais tiveram um desempenho em ganho de peso acima do esperado, demonstrando que estão adaptados às condições de Nordeste brasileiro, já que não houve alterações em seus parâmetros fisiológicos, considerados dentro da faixa normal e ainda apresentaram excelente desempenho produtivo e de consumo de nutrientes.The objective of this study was to evaluate the bioclimatic indices that influence physiological variables, performance and nutrient intake by Gir and Guzera young bulls. The work was conducted at the Experimental Station of Alagoinha/EMEPA-PB in Alagoinha town in 'Agreste' region of Paraiba state, Brazil, using 16 young bulls of Sind and Guzera breeds (8 animals of each breed, with a mean 31.5 ± 1.5 months of age, kept under confined conditions. The statistical design used was randomized blocks with eight replications in split plot with breed in the main plot and time (6, 12 and 16 h as subplots. Rectal temperature, respiratory rate and surface temperature of the animals remained within the normal range for the bovine species. There was no negative influence on food

  7. Caracterização etnopedológica de Planossolos utilizados em cerâmica artesanal no Agreste Paraibano Ethnopedological studies on solonetz and Planosols used in pottery craftwork in the Agreste region, State of Paraiba

    Directory of Open Access Journals (Sweden)

    Ângelo Giuseppe Chaves Alves

    2005-06-01

    Full Text Available Técnicas adaptadas da etnociência clássica foram utilizadas para descrever e avaliar os conhecimentos de um grupo de artesãos camponeses do Agreste Paraibano sobre alguns solos que eles usam como recurso cerâmico. Cinco perfis de solo foram descritos por agrônomos-pesquisadores (abordagem eticista e por camponeses (abordagem emicista, em locais onde a população local extrai material para cerâmica. Amostras coletadas em ambas as abordagens foram usadas para caracterização morfológica e analítica desses solos. Os camponeses pesquisados foram capazes de distinguir, identificar e nomear diversos materiais de solo, arranjados em estratos ao longo dos perfis de solo, de modo comparável ao arranjo dos horizontes pedogenéticos. A visão, o tato e o paladar foram empregados pelos artesãos na avaliação da qualidade do solo para cerâmica. Quatro perfis descritos junto às fontes de material cerâmico foram classificados como Planossolo Nátrico e um como Planossolo Háplico. A realização de pesquisas etnopedológicas em diferentes contextos sociais e pedológicos pode contribuir para o avanço da ciência do solo, sendo também uma oportunidade para melhor compreender as formas camponesas de conhecimento e manejo de solos.Classic ethnoscientific techniques were adapted to describe and analyze the knowledge of peasant potters about soils they use for making pottery in a rural village in the Agreste region, State of Paraiba, northeastern Brazil. Five soil profiles from pits where local people obtain pottery clay were formally described by researchers (etic approach and by peasant artisans (emic approach. Samples collected during both the emic and etic approaches were used for the morphological and analytical soil characterization. The peasant potters were able to distinguish, identify, and name soil materials arranged in layers along the soil profiles, somehow comparable to the arrangement of the pedogenetic horizons. Vision, touch and

  8. Characteristics of organoclays obtained from Paraibas's smectites; Caracteristicas de argilas organofilicas obtidas de esmectitas da Paraiba

    Energy Technology Data Exchange (ETDEWEB)

    Martin-Cortes, G.R.; Almeida, A.; Esper, F.J.; Alves Junior, P.; Valenzuela-Diaz, F.R., E-mail: germac@usp.br [Universidade de Sao Paulo (PMT/EP/USP), Sao Paulo, SP (Brazil). Escola Politecnica. Dept. de Engenharia Meralurgica e de Materiais; Hennies, W.T. [Universidade de Sao Paulo (PMT/EP/USP), Sao Paulo, SP (Brazil). Escola Politecnica. Dept. de Engenharia de Minas e de Petroleo

    2011-07-01

    Organoclay (AO) applies in the industry due to its particular technical characteristics. They are used as rheological additives in drilling fluids for oil, by adding viscosity solutions in which it participates: in paints, adhesives, lubricants, cosmetics and others. Recently grows its use as reinforcing filler in structuring polymer nanocomposites. The organoclays are obtained by the modification with quaternary ammonium of smectites. This paper presents the characteristics of a organoclay product of modified smectite from the State of Paraiba by quaternary ammonium. These studies were done in the PMT-EPUSP - Metallurgical and Materials Engineering Dept. of the Polytechnic School, University of Sao Paulo. The paper presents the results of studies through the techniques of X-ray diffraction, thermal analysis, infrared spectroscopy Foster swelling in oils and organic solvents tests and Scanning Electronic Microscopy. (author)

  9. Evaluation of the mineralogical characterization of several smectite clay deposits of the state of Paraiba, Brazil using statistical analysis of variance

    International Nuclear Information System (INIS)

    Gama, A.J.A.; Menezes, R.R.; Neves, G.A.; Brito, A.L.F. de

    2015-01-01

    Currently over 80% of industrialized bentonite clay produced in Brazil in sodium form for use in various industrial applications come from the deposits in Boa Vista - PB. Recently they were discovered new bentonite deposits situated in the municipalities of Cubati - PB, Drawn Stone - PB, Sossego - PB, and last in olive groves - PB, requiring systematic studies to develop all its industrial potential. Therefore, this study aimed to evaluate chemical characterization several deposits of smectite clays from various regions of the state of Paraíba through the analysis of statistical variance. Chemical analysis form determined by fluorescence x-ray (EDX). Then analyzes were carried out of variance statistics and Tukey test using the statistical soft MINITAB® 17.0. The results showed that the chemical composition of bentonite clay of new deposits showed different amounts of silica, aluminum, magnesium and calcium in relation clays in Boa Vista, and clays imported. (author)

  10. Crescimento e bromatologia do feijão-bravo (Capparis flexuosa L. em área de Caatinga no Curimataú paraibano, Brasil Growth and bromatology of Capparis flexuosa at Curimatau region, Paraiba state, Brazil

    Directory of Open Access Journals (Sweden)

    Jorge Xavier de Almeida Neto

    2011-06-01

    Full Text Available Este trabalho teve como objetivo caracterizar aspectos relacionados com o crescimento e a bromatologia do feijão-bravo (Capparis flexuosa L. em uma área no Curimataú, Semiárido Paraibano. Para a análise da evolução do crescimento desta espécie formou-se quatro grupos de plantas segundo a classe de altura: GI até 0,50 m; GII de 0,51 a 1 m; GIII de 1,01 a 1,50 m e GIV a >1,51 m. No período de março a dezembro de 2007 determinou-se a altura e o número de ramos dos indivíduos, sendo o diâmetro do caule registrado de março a setembro. Avaliou-se também, a composição bromatológica das folhas e talos do feijão-bravo. Em todos os grupos, o feijão-bravo apresentou crescimento lento no período chuvoso. Entretanto, até o mês de agosto, observou-se o aumento no número de ramos das plantas, independente do grupo estabelecido. No Período amostrado, não se constatou diferença (p > 0,05 entre plantas em termos de diâmetro, em todos os grupos amostrados. Os dados bromatológicos registrados foram os seguintes: matéria orgânica (91,95%; cinzas (8,05%; matéria seca (47,1% e umidade (52,9%. Os teores de proteína bruta (8,13%; fibra bruta (32,32%; extrato etéreo (5,37%; e energia bruta (5.015 cal g-1 do feijão-bravo, dado a estas características, sugerem que esta espécie apresenta potencial para ser utilizada como forrageira.The general aim of this study was to describe the growth and bromatology of Capparis flexuosa L. in an area of Caatinga, Paraiba State, Brazil. To analyze the growth evolution, the plants were divided in four groups according to the height classes: GI until 0.50 m; GII from 0.51 to 1 m; GIII from 1.01 to 1.50 m and GIV above >1.51 m; the plants height, the number of branches and the basal diameter were determined, in the period between March and December, 2007. The bromatological composition of leaves and branches of Capparis flexuosa was evaluated. It was showed, in all groups, that Capparis flexuosa

  11. Geology of the Curimatau medium region (Paraiba State, Brazil) and the emplacement of the Dona Ines granite associated to the Brasiliano transcurrent shear zones; Geologia da Regiao do Medio Curimatau (PB) e o alojamento do granito de Dona Ines associado a zonas de cisalhamento transcorrentes brasilianas

    Energy Technology Data Exchange (ETDEWEB)

    Borges, Sergio Vieira Freire

    1996-12-31

    In an area of about 700 Km{sup 2} located in the northeast of Paraiba State and having as main point the town of Dona Ines, a geologic/structural mapping, a gravimetric survey and radiometric dating using the Rb/Sr method in whole rock and Sm.Nd model ages were undertaken in order to study and to understand the geology of this portion of terrain, the emplacement of the Dona Ines granitoids and its relationship with the enclosing rocks and the deformation acting at the time of the intrusion. The age of the pluton of Dona Ines was determined by the Rb/Sr whole rock method as 560 {+-} 20 Ma (end of Brasiliano Cycle in the region). Sm.Nd model ages in granitoids of Araras, Belem and Dona Ines have revealed paleoproterozoic ages for their crustal sources, as indicated by the negative {epsilon}{sub nd} of this rock 128 refs., 95 figs., 6 tabs., 7 maps

  12. Geology of the Curimatau medium region (Paraiba State, Brazil) and the emplacement of the Dona Ines granite associated to the Brasiliano transcurrent shear zones; Geologia da Regiao do Medio Curimatau (PB) e o alojamento do granito de Dona Ines associado a zonas de cisalhamento transcorrentes brasilianas

    Energy Technology Data Exchange (ETDEWEB)

    Borges, Sergio Vieira Freire

    1997-12-31

    In an area of about 700 Km{sup 2} located in the northeast of Paraiba State and having as main point the town of Dona Ines, a geologic/structural mapping, a gravimetric survey and radiometric dating using the Rb/Sr method in whole rock and Sm.Nd model ages were undertaken in order to study and to understand the geology of this portion of terrain, the emplacement of the Dona Ines granitoids and its relationship with the enclosing rocks and the deformation acting at the time of the intrusion. The age of the pluton of Dona Ines was determined by the Rb/Sr whole rock method as 560 {+-} 20 Ma (end of Brasiliano Cycle in the region). Sm.Nd model ages in granitoids of Araras, Belem and Dona Ines have revealed paleoproterozoic ages for their crustal sources, as indicated by the negative {epsilon}{sub nd} of this rock 128 refs., 95 figs., 6 tabs., 7 maps

  13. Water evaporation from bare soil at Paraiba, Brazil

    International Nuclear Information System (INIS)

    Lima, Jose Romualdo de Sousa; Antonino, Antonio Celso D.; Lira, Carlos A. Brayner de O.; Maciel Netto, Andre; Silva, Ivandro de Franca da; Souza, Jeffson Cavalcante de

    2002-01-01

    Measurements were accomplished in a 4,0 ha area in Centro de Ciencias Agrarias, UFPB, Areia City, Paraiba State, Brazil (6 deg C 58'S, 35 deg C 41'W and 645 m), aiming to determine water evaporation from bare soil, by energy and water balance approaches. Rain gauge, net radiometer, pyranometer and sensor for measuring the temperature and the relative humidity of the air and the speed of the wind, in two levels above the soil surface, were used to solve the energy balance equations. In the soil, two places were fitted with instruments, each one with two thermal probes, installed horizontally in the depths z1 = 2,0 cm and z2 = 8,0 cm, and a heat flux plate, for the measurement of the heat flux in the soil, the z1 = 5,0 cm. The measured data were stored every 30 minutes in a data logger. For the calculation of the water balance, three tensio-neutronics sites were installed, containing: an access tube for neutrons probe and eight tensiometers. The values of soil evaporation obtained by water balance were lower than obtained by energy balance because of the variability of the water balance terms. (author)

  14. The Alto Moxoto Terrain in Eastern Paraiba ('Caldas Brandao Massif')

    International Nuclear Information System (INIS)

    Neves, Benjamim Bley de Brito; Campos Neto, Mario da Costa; Souza, Solange Lucena de; Schmus, William Randall Van; Fernandes, Tania Maria Gomes

    2001-01-01

    The Alto Moxoto Terrane (TAM), at the east of Paraiba State is mostly composed of sheared ortho gneisses, porphyritic granodioritic gneisses and it bears an imbricated sheet of Al-rich (garnet-biotite-sillimanite) gneisses, deeply affected by migmatization phenomena. This litho-structural assemblage is drawing a regional asymmetric anti formal structure, with its axial zone running parallel to the B R-230 highway (E-W trending). It is limited in both, north (Alto Pajeu terrane) and south (Rio Capibaribe terrane) sides by important shear zones, which are feather faults connected with the development of the Pernambuco lineament, to the southwest. The adopted designation of 'terrane' is based upon its singular geological features, in terms of lithological and structural characteristics, Paleoproterozoic in age and sharp limits with the different confining terranes. TAM is here considered as a mega-fragment of the Atlantica Super continent, that was built up by the Paleoproterozoic Collage ('Transamazonian') and that was preserved in the framework of West Gondwana (Brasiliano/Pan African Collage) as a 'terrane'. This terrane shows conspicuous continuity to the far interior of the province, to the southwestern part of Pernambuco State, and so doing, it demonstrates that the former designation of 'Caldas Brandao Massif must be ruled out, as obsolete for many reasons. Geochronological determinations using Rb-Sr, Sm-Nd and U-Pb methods confirm the Paleoproterozoic age of this terrane, with the presence of some Archean protoliths as well as the various degrees of structural reworking and isotopic reseting promoted by the Brasiliano Cycle. This cycle was responsible for some intrusive granites, for most of the general geological features, like usual informal limits and even the present shape of the TAM, a typical reworked 'basement inlier'. (author)

  15. State Complexity of Testing Divisibility

    Directory of Open Access Journals (Sweden)

    Emilie Charlier

    2010-08-01

    Full Text Available Under some mild assumptions, we study the state complexity of the trim minimal automaton accepting the greedy representations of the multiples of m >= 2 for a wide class of linear numeration systems. As an example, the number of states of the trim minimal automaton accepting the greedy representations of the multiples of m in the Fibonacci system is exactly 2m^2.

  16. The mineralogical behavior of the phosphatic sedimentation in Pernambuco-Paraiba sedimentar coastal basin

    International Nuclear Information System (INIS)

    Albuquerque Menor, E. de; Amaral, A.J.R. do

    1979-01-01

    This work reports the execution of the ''Phosphate in the Sedimentary coastal zone of Pernambuco-Paraiba'' Project, resulting from the execution of 35 drilling holes distributed between Paulista City, State of Pernambuco and the Miriri river valley, State of Paraiba. The rocks were analysed by X-ray diffraction, and the results were used in the working up of mineralogical logs. The mineralogical logs interpretation makes possible to distinguish phosphorite and sandy phosphorite areas inside a mineralization zone, wich laterally passes to a phosphatic carbonatic rocks area situated far from cost line of that epoch. Differences of the mineral paragenesis are used under a regional sedimentar model conception and indicated as prospecting guides. The dominance of Kaolinite is related to continental sediments (Beberibe Formation). The dominance of montmorillonite, on the other hand, is more to marine facies than to particular conditions of the phosphatic mineralization. The analysis of these conditions shows that the continental areas resistant to the pre-Maestrichtrian transegressive oscillations coincide to the more favourable places to the phosphatic mineralization. (author) [pt

  17. SRTXRF analysis in sediments from the Paraiba do Sul river (Brazil)

    International Nuclear Information System (INIS)

    Pareira, Marcelo O.; Calza, Cristiane; Lopes, Ricardo Tadeu; Anjos, Marcelino Jose dos; Araujo, Francisco Gerson

    2005-01-01

    The Paraiba do Sul is a medium-sized river located in a region between the two most important urban and industrial centers of Brazil (Rio de Janeiro and Sao Paulo), with 1145 km in length and a drainage basin of 55400 km 2 . Formed by the junction of the Paraibuna and Paraitinga rivers, it arises in Serra da Bocaina (Sao Paulo state) and flows to the Atlantic Ocean until its mouth in Atafona (Rio de Janeiro State). In the last years, has been reported an increase in the water pollution, caused by the untreated domestic sewerage of the inhabitants, effluents discharged by various industries, mining activities and sand extraction of the riverbed. Consequently, a decline in the diversity and abundance of the fish species has been observed. This work used the Total Reflection X-Ray Fluorescence with Synchrotron Radiation (SRTXRF) technique to determine the heavy metals levels in the bioavailable and residual fractions from the surface sediment, in sampling points along the Paraiba do Sul River Basin. The samples were collected from November 2002 to April 2003. The analysis was performed at XRF beamline D09B of the Brazilian Synchrotron Light Laboratory (LNLS), using a white beam for the excitation and a Si(Li) semiconductor detector with resolution of 165 eV. All samples were excited for 100 s. The elements found in the sediment samples were: Ti, Cr, Mn, Fe, Cu, Zn, Rb, Sr, Ba and Pb. (author)

  18. Phytossociology of wood community in Seasonal Dry Montane Forest in Paraiba, Brazil

    Directory of Open Access Journals (Sweden)

    Maria do Carmo Learth Cunha

    2013-06-01

    Full Text Available The Pico do Jabre Seasonally Dry Montane Forest in Paraiba state, Brazil, the highest regional elevation, 1197 m, distant 360 km the sea was assessed aiming to survey its phytosociology and woody structure. In 36 systematic sampling plots, 10x50m, individuals, Dbh > 4.8cm, had their diameters and height measured. Botanical samples were collected during five years and vouchers were deposited at the Paraiba Federal University Herbaria (JPB. It was found 2050 trees distributed in 64 species of 51 genera of 31 families, which accounted for 1138 ind.ha-1 and 22.45 m2.ha -1. Diversity and equability were assessed as H' = 3.17 nats.ind-1 and J' = 0.76 similar to some others regional seasonally dry montane forest communities. Malpighiaceae, Myrtaceae, Erythroxylaceae, Vochysiaceae, Celastraceae, Rutaceae, Sapindaceae e Fabaceae-Faboideae stood out and summed 66.72% of the total VI. Byrsonima nitidifolia, Eugenia ligustrina, Calisthene microphylla, Maytenus distichophylla and Erythroxylum mucronatum species accounted for 120.79 (40.3% of the total VI. B. nitidifolia ecological dominance is firstly reported in the Brazilian northeast region.

  19. Contribution to the stratigraphy of the onshore Paraiba Basin, Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Rossetti, Dilce F.; Valeriano, Marcio M., E-mail: rossetti@dsr.inpe.br [Instituto Nacional de Pesquisas Espaciais (INPE), Sao Jose dos Campos, SP (Brazil). Divisao de Sensoriamento Remoto; Goes, Ana M.; Brito-Neves, Benjamim B. [Universidade de Sao Paulo (USP), Sao Paulo, SP (Brazil). Inst. de Geociencias; Bezerra, Francisco H.R.; Ochoa, Felipe L. [Universidade Federal do Rio Grande do Norte (UFRN), Natal, RN (Brazil). Centro de Ciencias Exatas e da Terra. Departamento de Geologia

    2012-06-15

    Several publications have contributed to improve the stratigraphy of the Paraiba Basin in northeastern Brazil. However, the characterization and distribution of sedimentary units in onshore areas of this basin are still incomplete, despite their significance for reconstructing the tectono- sedimentary evolution of the South American passive margin. This work provides new information to differentiate among lithologically similar strata, otherwise entirely unrelated in time. This approach included morphological, sedimentological and stratigraphic descriptions based on surface and sub-surface data integrated with remote sensing, optically stimulated luminescence dating, U+Th/He dating of weathered goethite, and heavy mineral analysis. Based on this study, it was possible to show that Cretaceous units are constrained to the eastern part of the onshore Paraiba Basin. Except for a few outcrops of carbonatic-rocks nearby the modern coastline, deposits of this age are not exposed to the surface in the study area. Instead, the sedimentary cover throughout the basin is constituted by mineralogically and chronologically distinctive deposits, inserted in the Barreiras Formation and mostly in the Post-Barreiras Sediments, of early/middle Miocene and Late Pleistocene-Holocene ages, respectively. The data presented in this work support tectonic deformation as a factor of great relevance to the distribution of the sedimentary units of the Paraiba Basin. (author)

  20. Contribution to the stratigraphy of the onshore Paraiba Basin, Brazil

    International Nuclear Information System (INIS)

    Rossetti, Dilce F.; Valeriano, Marcio M.; Goes, Ana M.; Brito-Neves, Benjamim B.; Bezerra, Francisco H.R.; Ochoa, Felipe L.

    2012-01-01

    Several publications have contributed to improve the stratigraphy of the Paraiba Basin in northeastern Brazil. However, the characterization and distribution of sedimentary units in onshore areas of this basin are still incomplete, despite their significance for reconstructing the tectono- sedimentary evolution of the South American passive margin. This work provides new information to differentiate among lithologically similar strata, otherwise entirely unrelated in time. This approach included morphological, sedimentological and stratigraphic descriptions based on surface and sub-surface data integrated with remote sensing, optically stimulated luminescence dating, U+Th/He dating of weathered goethite, and heavy mineral analysis. Based on this study, it was possible to show that Cretaceous units are constrained to the eastern part of the onshore Paraiba Basin. Except for a few outcrops of carbonatic-rocks nearby the modern coastline, deposits of this age are not exposed to the surface in the study area. Instead, the sedimentary cover throughout the basin is constituted by mineralogically and chronologically distinctive deposits, inserted in the Barreiras Formation and mostly in the Post-Barreiras Sediments, of early/middle Miocene and Late Pleistocene-Holocene ages, respectively. The data presented in this work support tectonic deformation as a factor of great relevance to the distribution of the sedimentary units of the Paraiba Basin. (author)

  1. Comparative study of ceramic blocks for masonry produced in Paraiba and Rio Grande do Norte

    International Nuclear Information System (INIS)

    Santos, R.C. dos; Melo, O.B. de; Macedo, R.S. de; Silva, B.J. da; Goncalves, W.P.; Santana, L.N.L.

    2011-01-01

    The aim of this study to analyze the properties of ceramic blocks produced by the states of Paraiba and Rio Grande do Norte. For this, the raw materials used in the fabrication of these blocks were characterized using the techniques of chemical, granulometry and mineralogical analysis and determination of the plasticity index of mixture ceramic. The properties of the ceramic blocks were determined by evaluating the geometric and visual characteristics and determining the water absorption and compressive strength, according to technical recommendations ABNT NBR 15270. It can be observed that samples have chemical compositions with a predominance of SiO 2 and Al 2 O 3 and Fe 2 O 3 and they are composed of mica, kaolinite, quartz, feldspar and goethite. It was also noted that all blocks showed compressive strength less than 1.5 MPa. (author)

  2. Investigation of wind characteristics and wind energy assessment in Sao Joao do Cariri (SJC) - Paraiba, Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Lima, Laerte; Filho, Celso

    2010-09-15

    In this study wind characterization and wind energy assessment of the Sao Joao do Cariri (SJC) in Paraiba state situated in Brazilian northeast. The average wind speed and temperature for 25 and 50 m were found 4,74m/s, 24,46C and 5,31m/s 24,25C with wind speed predominate direction of SSE (165 degrees). Weibull shape, scale ,Weibull fit wind speed and Power wind density found 2,54, 5,4m/s, 4,76m/s and 103W/m2 for 25m wind height measurements and 2,59, 6,0m/s, 5,36m/s and 145W/m2 for 50m wind height measurements.

  3. Comparative study of faculties of dentistry of Rio de Janeiro and Universidade Federal da Paraiba in relation to teaching of radiation protection in Dentistry

    International Nuclear Information System (INIS)

    Padilha Filho, L.G.; Raymundo Junior, R.; Koch, H.A.; Guedes, W.M.S.; Oliveira, L.C.G.; Berquo, F.R.; Cherchinaro, C.C.

    2001-01-01

    This study compares the qualification and formation in radiation protection, of the students of Dentistry Faculties of Universities in Rio de Janeiro and Paraiba States (Brazil), and recommends the inclusion of Radiation Protection and Image Quality discipline, in the curriculum of Dentistry Faculties, in order to unify the contents and programs in the different study plans. Also to elaborate an appropriate educational training, so that the students of the Brazilian Universities can have the same knowledge about these important themes

  4. Spatio-temporal drought characteristics of the tropical Paraiba do Sul River Basin and responses to the Mega Drought in 2014-2016

    Science.gov (United States)

    Nauditt, Alexandra; Metzke, Daniel; Ribbe, Lars

    2017-04-01

    The Paraiba do Sul River Basin (56.000 km2) supplies water to the Brazilian states Sao Paulo and Rio de Janeiro. Their large metropolitan areas were strongly affected by a Mega drought during the years 2014 and 2015 with severe implications for domestic water supply, the hydropower sector as well as for rural agricultural downstream regions. Longer drought periods are expected to become more frequent in the future. However, drought characteristics, low flow hydrology and the reasons for the recurrent water scarcity in this water abundant tropical region are still poorly understood. In order to separate the impact of human abstractions from hydro-climatic and catchment storage related hydrological drought propagation, we assessed the spatio-temporal distribution of drought severity and duration establishing relationships between SPI, SRI and discharge threshold drought anomalies for all subcatchments of the PdS based on a comprehensive hydro-meteorological data set of the Brazilian National Water Agency ANA. The water allocation model "Water Evaluation and Planning System (WEAP)" was established on a monthly basis for the entire Paraiba do Sul river basin incorporating human modifications of the hydrological system as major (hydropower) reservoirs and their operational rules, water diversions and major abstractions. It simulates reasonable discharges and reservoir levels comparable to the observed values. To evaluate the role of climate variability and drought responses for hydrological drought events, scenarios were developed to simulate discharge and reservoir level the impact of 1. Varying meteorological drought frequencies and durations and 2. Implementing operational rules as a response to drought. Uncertainties related to the drought assessment, modelling, parameter and input data were assessed. The outcome of this study for the first time provides an overview on the heterogeneous spatio-temporal drought characteristics of the Paraiba do Sul river basin and

  5. Comparative study of faculties of dentistry of Rio de Janeiro and Universidade Federal da Paraiba in relation to teaching of radiation protection in Dentistry; Estudo comparativo das faculdades de odontologia do Rio de Janeiro e da Universidade Federal da Paraiba no tocante ao ensino da radioprotecao em odontologia

    Energy Technology Data Exchange (ETDEWEB)

    Padilha Filho, L.G. [Hospital Universitario Clementino Fraga Filho, Rio de Janeiro, RJ (Brazil); Fundacao Tecnico Educacional Souza Marques, Rio de Janeiro, RJ (Brazil); E-mail: lupadilha@ig.com.br; Raymundo Junior, R. [Universidade Federal, Rio de Janeiro, RJ (Brazil). Faculdade de Odontologia; Koch, H.A. [Hospital Universitario Clementino Fraga Filho, Rio de Janeiro, RJ (Brazil). Dept. de Radiologia; Guedes, W.M.S. [Paraiba Univ., Joao Pessoa, PB (Brazil). Faculdade de Odontologia; Oliveira, L.C.G.; Berquo, F.R.; Cherchinaro, C.C. [Fundacao Tecnico Educacional Souza Marques, Rio de Janeiro, RJ (Brazil). Curso de Fisica

    2001-07-01

    This study compares the qualification and formation in radiation protection, of the students of Dentistry Faculties of Universities in Rio de Janeiro and Paraiba States (Brazil), and recommends the inclusion of Radiation Protection and Image Quality discipline, in the curriculum of Dentistry Faculties, in order to unify the contents and programs in the different study plans. Also to elaborate an appropriate educational training, so that the students of the Brazilian Universities can have the same knowledge about these important themes.

  6. Adubação do algodão colorido BRS 200 em sistema orgânico no Seridó Paraibano Fertilization of colored cotton BRS 200 under organic system in Serido, in the State of Paraiba, Brazil

    Directory of Open Access Journals (Sweden)

    Melchior N. B. da Silva

    2005-06-01

    Full Text Available É grande a potencialidade do algodão colorido para ser cultivado organicamente na região semi-árida, onde as condições edafoclimáticas possibilitam o cultivo sem defensivos agrícolas. Os adubos orgânicos têm sido utilizados para melhorar as propriedades físico-químicas do solo, o estabelecimento de microrganismos benéficos e o aumento da matéria orgânica, além de ser fonte de nutrientes. O objetivo deste trabalho foi determinar níveis e forma de aplicação do esterco bovino em algodoeiro colorido BRS 200-marrom, cultivado sob manejo orgânico nas condições edafoclimáticas do Seridó Paraibano. O experimento foi conduzido em blocos ao acaso, com nove tratamentos e quatro repetições, nos anos 2000, 2001 e 2002. Os tratamentos se originaram de um fatorial (4 x 2+1, cujos fatores foram quatro níveis de esterco bovino curtido (10, 20, 30 e 40 t ha-1 em dois locais de aplicação (abaixo e ao lado das sementes, adicionado de uma testemunha absoluta sem adubação orgânica. A presença do esterco bovino incrementou a produtividade do algodão. Quando ocorreu regularidade climática, a aplicação ao lado das sementes foi mais eficiente, alcançando-se o máximo rendimento com 30 t ha-1. A uniformidade do comprimento da fibra decresceu e o índice de fibras curtas aumentou com o incremento dos níveis de adubo.The naturally colored cotton has potentiality for growth in Northeast Semi-arid, where the edaphoclimatic conditions permit the cultivation without agrochemicals. Organic fertilizers have been used to improve physico-chemical properties of the soil, establishment of beneficial microorganisms, increase of the organic matter and nutrients. The objective of this work was to determine levels and forms of application of cattle manure in colored cotton BRS 200, cultivated under organic management in Seridó, in the State of Paraiba. The experiment was conducted in randomized blocks, with nine treatments and four replications

  7. Communication complexity reduction from globally uncorrelated states

    Energy Technology Data Exchange (ETDEWEB)

    Wieśniak, Marcin, E-mail: marcin.wiesniak@univie.ac.at

    2015-04-03

    Bell inequality violating entangled states are the working horse for many potential quantum information processing applications, including secret sharing, cryptographic key distribution and communication complexity reduction in distributed computing. Here we explicitly demonstrate the power of certain multi-qubit states to improve the efficiency of partners in joint computation of some multi-qubit function, despite the fact that there could be no correlations between all distributed particles. It is important to stress that the class of functions that can be computed more efficiently is widened, as compared with the standard Bell inequalities. - Highlights: • We expand the set of functions, which can be computed more efficiently with quantum states. • We describe communication complexity reduction protocols based not only on full correlations. • We explicitly show an instance where, a globally uncorrelated state reduces communication complexity.

  8. Communication complexity reduction from globally uncorrelated states

    International Nuclear Information System (INIS)

    Wieśniak, Marcin

    2015-01-01

    Bell inequality violating entangled states are the working horse for many potential quantum information processing applications, including secret sharing, cryptographic key distribution and communication complexity reduction in distributed computing. Here we explicitly demonstrate the power of certain multi-qubit states to improve the efficiency of partners in joint computation of some multi-qubit function, despite the fact that there could be no correlations between all distributed particles. It is important to stress that the class of functions that can be computed more efficiently is widened, as compared with the standard Bell inequalities. - Highlights: • We expand the set of functions, which can be computed more efficiently with quantum states. • We describe communication complexity reduction protocols based not only on full correlations. • We explicitly show an instance where, a globally uncorrelated state reduces communication complexity

  9. Geochronologic inventory of Rio de Janeiro State

    International Nuclear Information System (INIS)

    Fonseca, A.C.

    1995-01-01

    This paper presents a geochronological study on the Rio de Janeiro State rocks, Southeast Brazil. It is based in a great volume of analytical results (Rb-Sr, U-Pb, Sm-Nd, K-Ar, Ar-Ar and fission tracks dating). It also evocates a little doubt on the Juiz de Fora Complex age: a transamazonic age and some doubts on the sedimentation age of Paraiba do Sul and Andrelandia groups, Costeiro Complex and the existence of a correlation between these litho-stratigraphic units. 19 refs., 2 tabs

  10. Multibiomarker approach in fish to assess the impact of pollution in a large Brazilian river, Paraiba do Sul.

    Science.gov (United States)

    Linde-Arias, Ana Rosa; Inácio, Alan F; Novo, Leonardo A; de Alburquerque, Carla; Moreira, Josino C

    2008-12-01

    This article examines the advantages of the use of biomarkers as environmental indicators by applying it to Paraiba do Sul watershed, one of the most important Brazilian water bodies, which is in a critical environmental situation. We use a multibiomarker approach in fish as an integrated strategy to assess the impact of pollution. It comprehends a general biomarker of fish health, the condition factor (CF), and specific biomarkers of contaminant exposure such as metallothionein (MT), acetylcholinesterase (AChE) activity and biliary polycyclic aromatic hydrocarbons (PAH) metabolites. Our results revealed different effects in the fish from diverse locations with varying degrees of pollution. Furthermore, fish located just upstream of the water-treatment plant of the metropolitan area of Rio de Janeiro has shown to be affected by metals. This study indicates the usefulness of integrating a set of biomarkers to define the effects of anthropogenic inputs in aquatic bodies under complex polluted situations.

  11. Evaluation of the Equivalent Radium Activity of Clay Brickworks in Backlands of Paraiba, Brazil

    International Nuclear Information System (INIS)

    Nobrega de Araujo, E. E.; Araujo dos Santos Jr, J.; Andrade de Oliveira, I.; Santos Amaral, R. dos; Dias Bezerra, J.; Jimenez Charfuelan, J. M.; Araujo Costa, M. C.; Marques do Nacimento Santos, J.

    2015-01-01

    The natural radioactivity can reach high levels, depending on the geological formation of each area of the planet. Construction materials contain amounts of natural radioactive elements that may have concentrations upper of established limits, varying according to the composition of rock and soil from which they originated, causing greater exposure to human beings through the use of clay as raw material for ceramics used in construction. The radioecology dosimetry of these materials is defined in terms of the Equivalent Radium activity (Ra Eq ). In this context, this study aimed to establish the calculation of RaEq in the raw material of potteries in the badlands of Paraiba, area adjacent to the uranium deposits of Espinharas, to estimate the risks associated with primordial radionuclides attributed to TENORM activities from the extraction and use of clay in manufacture of bricks and tiles. Analysis were performed by high resolution gamma spectrometry with HPGe detector-Be, assuming the state of secular radioactive equilibrium. The results ranged from 84.49 to 747.78 Nq.kg -1 , with a mean 333.97 Bq.kg -1 . Some samples had values that exceeded the limit of 370 Bq.kg -1 established by UNSCEAR for construction materials, surpassing until on doubled, suggesting greater monitoring and control of these mining areas. (Author)

  12. Bipartite quantum states and random complex networks

    International Nuclear Information System (INIS)

    Garnerone, Silvano; Zanardi, Paolo; Giorda, Paolo

    2012-01-01

    We introduce a mapping between graphs and pure quantum bipartite states and show that the associated entanglement entropy conveys non-trivial information about the structure of the graph. Our primary goal is to investigate the family of random graphs known as complex networks. In the case of classical random graphs, we derive an analytic expression for the averaged entanglement entropy S-bar while for general complex networks we rely on numerics. For a large number of nodes n we find a scaling S-bar ∼c log n +g e where both the prefactor c and the sub-leading O(1) term g e are characteristic of the different classes of complex networks. In particular, g e encodes topological features of the graphs and is named network topological entropy. Our results suggest that quantum entanglement may provide a powerful tool for the analysis of large complex networks with non-trivial topological properties. (paper)

  13. Eficiência de extratores de potássio disponível em solos do estado da Paraíba com graus de desenvolvimento pedogenético diferentes Efficiency of available potassium extractants in soils of Paraiba State with different degrees of pedogenetic development

    Directory of Open Access Journals (Sweden)

    Jailma dos Santos de Medeiros

    2010-02-01

    ássica.Potassium availability for plants depends on the contents of the K forms present in the soils (non exchangeable, exchangeable and soluble K, which vary according to the degree of pedogenetic development of soils. The objective of this study was to evaluate K availability in soils with different degrees of pedogenetic development, based on the extraction of K from the soils with different extractants and with corn plants. Samples of the surface layer (0-30 cm were collected from 12 representative soils in the state of Paraiba, of which six were more and six less developed. To the three replications of all 12 soils, five K doses (0; 50; 100; 200, and 300 mg dm-3 were applied in the form of KCl in solution and incubated for 21 days. Following, a sub-sample of 0.2 dm-3 of each soil was taken to determine the content of available K by the extractors Mehlich-1, Mehlich-3 and ion exchange resin. Then, corn was grown on the soils in a greenhouse for 30 days and the dry matter production and K plant content evaluated. The extractants Mehlich-1, Mehlich-3 and ion exchange resin extracted similar K amounts in the more developed soils. In the group of less developed soils, the extractants Mehlich-1 and Mehlich-3 extracted not very different K amounts, but much greater amounts than by ion exchange resin, especially in the soils with higher clay content and a larger proportion of 2:1 minerals. Unlike the extractants Mehlich-1 and Mehlich-3, ion exchange resin was not well-related with the exchangeable K content in the less developed soils. In this soil group, Mehlich-1 correlated best with the plant K content. In most soils the dry matter production of the plant did not increase with increasing K doses, but in all soils the K plant content increased in response to K fertilization.

  14. Influence of Paraiba uranium deposit in the evaluation of radioecological dosimetry from Sao Mamede- PB

    Energy Technology Data Exchange (ETDEWEB)

    Damascena, Kennedy Francys Rodrigues; Santos Junior, Jose Araujo; Charfuelan, Juana Maria Jimenez; Amaral, Romilton dos Santos; Silva, Alberto Antonio da; Santos, Josineide Marques do Nascimento; Fernandez, Zahily Herrero; Maciel Neto, Jose de Almeida, E-mail: kennedy.eng.ambiental@gmail.com, E-mail: jaraujo@ufpe.br, E-mail: romilton@ufpe.br, E-mail: juanitamariaj@gmail.com, E-mail: neideden@hotmail.com, E-mail: zahily1985@gmail.com, E-mail: profjosemaciel@gmail.com, E-mail: alberto.silva@barreiros.ifpe.edu.br [Universidade Federal de Pernambuco (RAE/DEN/UFPE), Recife, PE (Brazil). Grupo de Estudos em Radioecologia. Departamento de Energia Nuclear

    2015-07-01

    Regions with different levels of natural radionuclides should be investigated from the radioecological viewpoint, to establish protection criteria for environment and the population. The municipality of São Mamede in the state of Paraiba, is one of the closest of the uranium deposit in Espinharas - PB, and can be influenced, given its geological formation, which justifies conducting environmental dosimetric studies. The United Nations Scientific Committee on the Effects of Atomic Radiation (UNSCEAR) established in 2008 a value for the environmental equivalent effective dose rate of 2.44 mSv / y, considering the different forms of exposure and outdoor environments and internal. The calculation for estimating the outdoor dose rate considered a factor of 0.2, which corresponds therefore to a dose rate of 0.46 mSv / y for these environments. The objective of this study was to determine the levels of natural ionizing radiation that municipality using estimated effective dose rate measured in air and 1.0 m from the surface, points to the presence of rocky outcrops using portable detector with discriminator combined probe of NaI (Tl) and BGO. The experimental setup allowed the evaluation of eighty-one points, dose rates ranged from 0.34 to 4.0 mSv / y, with an average of 0.76 mSv / y, exceeding the global average by a factor of 9, which characterizes the need to investigate the dosimetry for internal environments, which can define criteria to check a possible estimate of radioecological risk. (author)

  15. Influence of Paraiba uranium deposit in the evaluation of radioecological dosimetry from Sao Mamede- PB

    International Nuclear Information System (INIS)

    Damascena, Kennedy Francys Rodrigues; Santos Junior, Jose Araujo; Charfuelan, Juana Maria Jimenez; Amaral, Romilton dos Santos; Silva, Alberto Antonio da; Santos, Josineide Marques do Nascimento; Fernandez, Zahily Herrero; Maciel Neto, Jose de Almeida

    2015-01-01

    Regions with different levels of natural radionuclides should be investigated from the radioecological viewpoint, to establish protection criteria for environment and the population. The municipality of São Mamede in the state of Paraiba, is one of the closest of the uranium deposit in Espinharas - PB, and can be influenced, given its geological formation, which justifies conducting environmental dosimetric studies. The United Nations Scientific Committee on the Effects of Atomic Radiation (UNSCEAR) established in 2008 a value for the environmental equivalent effective dose rate of 2.44 mSv / y, considering the different forms of exposure and outdoor environments and internal. The calculation for estimating the outdoor dose rate considered a factor of 0.2, which corresponds therefore to a dose rate of 0.46 mSv / y for these environments. The objective of this study was to determine the levels of natural ionizing radiation that municipality using estimated effective dose rate measured in air and 1.0 m from the surface, points to the presence of rocky outcrops using portable detector with discriminator combined probe of NaI (Tl) and BGO. The experimental setup allowed the evaluation of eighty-one points, dose rates ranged from 0.34 to 4.0 mSv / y, with an average of 0.76 mSv / y, exceeding the global average by a factor of 9, which characterizes the need to investigate the dosimetry for internal environments, which can define criteria to check a possible estimate of radioecological risk. (author)

  16. Impactos da invasão de Prosopis juliflora (sw. DC. (Fabaceae sobre o estrato arbustivo-arbóreo em áreas de Caatinga no Estado da Paraíba, Brasil - doi: 10.4025/actascibiolsci.v32i3.4535 Impact of the invasion of Prosopis juliflora (Sw. DC. (Fabaceae in areas of Caatinga in the state of Paraiba, Brazil - doi: 10.4025/actascibiolsci.v32i3.4535

    Directory of Open Access Journals (Sweden)

    Juliano Ricardo Fabricante

    2010-09-01

    Full Text Available Estima-se que as áreas invadidas por algaroba – Prosopis juliflora (Sw. DC. (Fabaceae no semi-árido nordestino já ultrapassam um milhão de hectares. O presente trabalho objetivou estudar os impactos da invasão de P. juliflora sobre a fitodiversidade e a estrutura do componente arbustivo-arbóreo, em remanescentes de caatinga no Estado da Paraíba. Usando-se o método de parcelas, foram amostrados quatro ambientes, nos quais os indivíduos de todas as espécies arbustivas e arbóreas foram inventariados e medidos, estimando-se os parâmetros estruturais das comunidades. Também foi calculada a diversidade, pelo índice de Shannon-Wiener (H’ e o índice de impacto ambiental de exóticas (IIAE. No total, foram amostradas 19 famílias, 35 gêneros e 39 espécies. A invasora foi responsável por mais de 70% de toda a estrutura dos ambientes inventariados. A baixa diversidade e o elevado valor de impacto ambiental obtidos para os ambientes invadidos revelaram, conjuntamente com os dados de estrutura das populações, os graves impactos que P. juliflora provoca nas comunidades invadidas. Evidencia-se com isso a formação de sistemas monodominados pela espécie invasora, o que revela a necessidade de controle efetivo de P. juliflora para se proteger o patrimônio genético autóctone.It is estimated that invader populations of algaroba Prosopis juliflora (Sw. DC. (Fabaceae in the northeastern semi-arid, Brazil, cover more than one million ha. This study aimed to study the impacts of P. juliflora invasion on phytodiversity and on the structure of the shrub-tree component in caatinga fragments in Paraiba state. Four environments were sampled by plots in which all shrub-tree individuals were surveyed and measured, estimating structural parameters of the communities. Diversity was estimated by the Shannon-Wiener index (H', and the index of environmental impacts of exotic species (IIAE was also calculated. A total of 19 families, 35 genera and 39

  17. Multibiomarker approach in fish to assess the impact of pollution in a large Brazilian river, Paraiba do Sul

    International Nuclear Information System (INIS)

    Linde-Arias, Ana Rosa; Inacio, Alan F.; Novo, Leonardo A.; Alburquerque, Carla de; Moreira, Josino C.

    2008-01-01

    This article examines the advantages of the use of biomarkers as environmental indicators by applying it to Paraiba do Sul watershed, one of the most important Brazilian water bodies, which is in a critical environmental situation. We use a multibiomarker approach in fish as an integrated strategy to assess the impact of pollution. It comprehends a general biomarker of fish health, the condition factor (CF), and specific biomarkers of contaminant exposure such as metallothionein (MT), acetylcholinesterase (AChE) activity and biliary polycyclic aromatic hydrocarbons (PAH) metabolites. Our results revealed different effects in the fish from diverse locations with varying degrees of pollution. Furthermore, fish located just upstream of the water-treatment plant of the metropolitan area of Rio de Janeiro has shown to be affected by metals. This study indicates the usefulness of integrating a set of biomarkers to define the effects of anthropogenic inputs in aquatic bodies under complex polluted situations. - Integrated approach using biomarkers proofs suitable for environmental assessment of a diversely polluted river

  18. Multibiomarker approach in fish to assess the impact of pollution in a large Brazilian river, Paraiba do Sul

    Energy Technology Data Exchange (ETDEWEB)

    Linde-Arias, Ana Rosa [Laboratorio de Toxicologia, Centro de Estudos da Saude do Trabalhador e Ecologia Humana, Escola Nacional de Saude Publica Sergio Arouca, Fundacao Oswaldo Cruz, Leopoldo Bulhoes, 1480, Rio de Janeiro (Brazil)], E-mail: arlinde@ensp.fiocruz.br; Inacio, Alan F.; Novo, Leonardo A.; Alburquerque, Carla de; Moreira, Josino C. [Laboratorio de Toxicologia, Centro de Estudos da Saude do Trabalhador e Ecologia Humana, Escola Nacional de Saude Publica Sergio Arouca, Fundacao Oswaldo Cruz, Leopoldo Bulhoes, 1480, Rio de Janeiro (Brazil)

    2008-12-15

    This article examines the advantages of the use of biomarkers as environmental indicators by applying it to Paraiba do Sul watershed, one of the most important Brazilian water bodies, which is in a critical environmental situation. We use a multibiomarker approach in fish as an integrated strategy to assess the impact of pollution. It comprehends a general biomarker of fish health, the condition factor (CF), and specific biomarkers of contaminant exposure such as metallothionein (MT), acetylcholinesterase (AChE) activity and biliary polycyclic aromatic hydrocarbons (PAH) metabolites. Our results revealed different effects in the fish from diverse locations with varying degrees of pollution. Furthermore, fish located just upstream of the water-treatment plant of the metropolitan area of Rio de Janeiro has shown to be affected by metals. This study indicates the usefulness of integrating a set of biomarkers to define the effects of anthropogenic inputs in aquatic bodies under complex polluted situations. - Integrated approach using biomarkers proofs suitable for environmental assessment of a diversely polluted river.

  19. Study of environmental pollution by heavy metals in Sepetiba Bay and Paraiba do Sul River - Guandu River by analysis of critical parameters

    International Nuclear Information System (INIS)

    Pfeiffer, W.C.; Fiszman, M.; Malm, O.; Lima, N.R.W.; Azcue, J.M.

    The heavy metal pollution in Sepetiba Bay and Paraiba do Sul River - Guandu River is studied by analysis of critical parameters. This ones are employed in environmental impact determination of nuclear installations. Three critic metals (Cr, Zn, Cd) and four (Pb, Cu, Zn, Cr) ones are lauched by the industrial park of Sepetiba Bay and Paraiba Vale respectively. (M.A.C.) [pt

  20. Research of environmental radiation dose on the inside of residence next of uranium deposit in Espinharas, Paraiba, Brazil

    International Nuclear Information System (INIS)

    Dias Bezerra, Jairo; Dos Santos Amaral, Romilton; Araujo dos Santos Junior, Jose; Antonio da Silva, Alberto

    2015-01-01

    Humans are exposed to ionizing radiation, especially those natural sources originating from terrestrial radionuclides belonging to the radioactive series of 238 U and 233 Th, accompanied by the 40 K, which represents the major contribution to external and internal exposure. The increase of this dose in more than 40% in indoor environments is associated with building homes, close to areas with high levels of Natural Occurrences Radioactive Materials (NORM). The study area is located in the western region of the state of Paraiba and was chosen because it contains a major uranium deposits in Brazil, which has an average grade of 1,200 mg.kg -1 of U 3 O 8 . Were monitored 119 residences, in order to determine the effective doses in the air in indoor environments and the possible contribution of radon. For measure the doses, thermoluminescent dosimeters type LiF:Mg, Ti were used. The results obtained for effective dose rates, ranges from 0.71 to 2.07 mSv.y -1 , with an average value of 0.90 mSv.y -1 , getting these above the global reference value established by UNSCEAR that is 1.92 mSv.y -1 , should be investigated the condition of radioecological risk in indoor environments. (Author)

  1. Origin of K-feldspar megacrystals from Monte das Gameleiras granite, Rio Grande do Norte/Paraiba, Brazil

    International Nuclear Information System (INIS)

    Galindo, A.C.

    1988-01-01

    The Monte das Gameleiras granitic batholith is located at the boundary between Rio Grande do Norte and Paraiba States in northeastern Brazil. Two main types of granitic rocks have been identified in this batholith. Dioritic inclusions occur in both of them. The predominating type is an extremely porphyritic syenogranite, which is intruded by a fine-grained monzogranite. K-feldspar megacrysts are found in both porphyritic granite and dioritic inclusions. The megacrysts long axes average around 4 cm, reaching up to 9 or 10 cm. The megacrysts are euhedral, zoned, and, sometimes, they show rapakivi texture. Flow textures and tuillage are common, but irregularly distributed. The K-feldspar megacrysts contain inclusions of plagioclase, biotite, quartz, hornblende, sphene, and apatite. These inclusions are concentrically arranged and parallel to the megacrysts zones. The included minerals are generally smaller than the same minerals in the groundmass. Microprobe analyses and X-ray difraction studies show that the megacrysts of both facies are similar in composition, containing around 90% of orthoclase. Taking into account the textural and compositional aspects, it is concluded that the megacrysts of porphyritic granite and dioritic inclusions are phenocrysts and not porphyroblasts. (author) [pt

  2. Quantum State Description Complexity (Invited Talk)

    OpenAIRE

    Vazirani, Umesh V.

    2011-01-01

    Quantum states generally require exponential sized classical descriptions, but the long conjectured area law provides hope that a large class of natural quantum states can be described succinctly. Recent progress in formally proving the area law is described.

  3. Correlation/Communication complexity of generating bipartite states

    OpenAIRE

    Jain, Rahul; Shi, Yaoyun; Wei, Zhaohui; Zhang, Shengyu

    2012-01-01

    We study the correlation complexity (or equivalently, the communication complexity) of generating a bipartite quantum state $\\rho$. When $\\rho$ is a pure state, we completely characterize the complexity for approximately generating $\\rho$ by a corresponding approximate rank, closing a gap left in Ambainis, Schulman, Ta-Shma, Vazirani and Wigderson (SIAM Journal on Computing, 32(6):1570-1585, 2003). When $\\rho$ is a classical distribution $P(x,y)$, we tightly characterize the complexity of gen...

  4. Soil organic matter and soil acidity in Mangrove areas in the river Paraiba Estuary, Cabedelo, Paraiba, Brazil

    Directory of Open Access Journals (Sweden)

    Renata Wilma Vasconcelos

    2014-08-01

    Full Text Available Mangrove ecosystems are of great environmental significance, because of their fragility and role in feeding and breeding various animal species. In northeastern Brazil, the disorderly occupation of estuarine areas and the urban sprawl have led to a considerable loss of the original area occupied by mangroves. In the municipality of Cabedelo, State of Paraíba, there are about 4,900 ha of remnant mangrove areas in the estuarine complex of the Paraíba River. However, information about the attributes of mangrove soils at this location is quite scarce. The aim of this study was to quantify the soil organic matter and soil acidity in mangroves located in the estuary of the Paraíba River, State of Paraíba, Brazil, in order to increase the database of soil attributes in this region. The study area is in local influence of the Restinga de Cabedelo National Forest (Flona, an environmental conservation unit of the Chico Mendes Institute for Biodiversity Conservation. For the choice of sampling points, we considered an area that receives direct influence of the eviction of domestic and industrial effluents. The soil of the study area is an “Organossolo Háplico” in Brazilian Soil Classification (Histosol, and was sampled at four point sites: one upstream of the effluent discharge (P1, one in the watercourse receiving effluent water (P2, one downstream of the effluent discharge (P3 and another near Flona (P4, at 0-20 and 20-40 cm, in four replications in time (28/08/2012 in the morning and afternoon, and 21/01/2013 in the morning and afternoon. Potential acidity, pH and soil organic matter (SOM were determined. No significant differences were detected in the potential acidity of the four collection sites, which ranged from 0.38 to 0.45 cmolc dm-3. Soil pH was greatest at point P4 (7.0 and lowest at point P1 (5.8. The SOM was highest at point P1 (86.4 % and lowest at P2 (77.9 %. The attributes related to soil acidity were not sensitive to indicate

  5. Metal concentrations in surface sediments of Paraiba do Sul River (Brazil)

    International Nuclear Information System (INIS)

    Pereira, M.O.; Calza, C.; Lopes, R.T.; Anjos, M.J.; UERJ, Rio de Janeiro; Araujo, F.G.

    2006-01-01

    The Paraiba do Sul River is located in a strategic region between the most important urban and industrial centers of Brazil. In the last years, an increase in the water pollution has been reported, caused by the untreated domestic sewerage of the inhabitants, effluents discharged by various industries, mining activities and sand extraction from the riverbed. This work used total reflection X-ray fluorescence with synchrotron radiation (SRTXRF) to determine metals in the bioavailable and residual fractions from the surface sediments. The metals identified were Ti, Cr, Mn, Fe, Cu, Zn, Rb, Sr, Ba and Pb. (author)

  6. Toward a Definition of Complexity for Quantum Field Theory States.

    Science.gov (United States)

    Chapman, Shira; Heller, Michal P; Marrochio, Hugo; Pastawski, Fernando

    2018-03-23

    We investigate notions of complexity of states in continuous many-body quantum systems. We focus on Gaussian states which include ground states of free quantum field theories and their approximations encountered in the context of the continuous version of the multiscale entanglement renormalization ansatz. Our proposal for quantifying state complexity is based on the Fubini-Study metric. It leads to counting the number of applications of each gate (infinitesimal generator) in the transformation, subject to a state-dependent metric. We minimize the defined complexity with respect to momentum-preserving quadratic generators which form su(1,1) algebras. On the manifold of Gaussian states generated by these operations, the Fubini-Study metric factorizes into hyperbolic planes with minimal complexity circuits reducing to known geodesics. Despite working with quantum field theories far outside the regime where Einstein gravity duals exist, we find striking similarities between our results and those of holographic complexity proposals.

  7. Toward a Definition of Complexity for Quantum Field Theory States

    Science.gov (United States)

    Chapman, Shira; Heller, Michal P.; Marrochio, Hugo; Pastawski, Fernando

    2018-03-01

    We investigate notions of complexity of states in continuous many-body quantum systems. We focus on Gaussian states which include ground states of free quantum field theories and their approximations encountered in the context of the continuous version of the multiscale entanglement renormalization ansatz. Our proposal for quantifying state complexity is based on the Fubini-Study metric. It leads to counting the number of applications of each gate (infinitesimal generator) in the transformation, subject to a state-dependent metric. We minimize the defined complexity with respect to momentum-preserving quadratic generators which form s u (1 ,1 ) algebras. On the manifold of Gaussian states generated by these operations, the Fubini-Study metric factorizes into hyperbolic planes with minimal complexity circuits reducing to known geodesics. Despite working with quantum field theories far outside the regime where Einstein gravity duals exist, we find striking similarities between our results and those of holographic complexity proposals.

  8. Phycocyanin: One Complex, Two States, Two Functions

    NARCIS (Netherlands)

    Gwizdala, Michal; Krüger, Tjaart P.J.; Wahadoszamen, Md; Gruber, J. Michael; Van Grondelle, Rienk

    2018-01-01

    Solar energy captured by pigments embedded in light-harvesting complexes can be transferred to neighboring pigments, dissipated, or emitted as fluorescence. Only when it reaches a reaction center is the excitation energy stabilized in the form of a charge separation and converted into chemical

  9. Optimized Binomial Quantum States of Complex Oscillators with Real Spectrum

    International Nuclear Information System (INIS)

    Zelaya, K D; Rosas-Ortiz, O

    2016-01-01

    Classical and nonclassical states of quantum complex oscillators with real spectrum are presented. Such states are bi-orthonormal superpositions of n +1 energy eigenvectors of the system with binomial-like coefficients. For large values of n these optimized binomial states behave as photon added coherent states when the imaginary part of the potential is cancelled. (paper)

  10. Morphometric and hydro graphic analysis in the hydro graphic basin of the Salsa river in Paraiba South coast of Brasil; Analisis morfometrico y geomorfologico de la cuenca hidrografica del Rio Salsa en la costa Sur del Estado de Paraiba. Brasil

    Energy Technology Data Exchange (ETDEWEB)

    Barbosa, M.; Nascimento, J.; Furrier, M., E-mail: mariaemanuellaf@gmail.com [Departamento de Geociencias, CCEN, UFPB(Brazil)

    2010-05-15

    This paper aims to extend the knowledge on the geomorphology of the river basin Salsa, located in the town of Con de, Paraiba / Brasil. The purpose of the research was to develop thematic maps and get related morphometric data to evaluate possible influences on tectonics. Were used Map data and satellite photos which allowed morphological and clinograficos analyze.

  11. Weaving and neural complexity in symmetric quantum states

    Science.gov (United States)

    Susa, Cristian E.; Girolami, Davide

    2018-04-01

    We study the behaviour of two different measures of the complexity of multipartite correlation patterns, weaving and neural complexity, for symmetric quantum states. Weaving is the weighted sum of genuine multipartite correlations of any order, where the weights are proportional to the correlation order. The neural complexity, originally introduced to characterize correlation patterns in classical neural networks, is here extended to the quantum scenario. We derive closed formulas of the two quantities for GHZ states mixed with white noise.

  12. Thermodynamic Ground States of Complex Oxide Heterointerfaces

    DEFF Research Database (Denmark)

    Gunkel, F.; Hoffmann-Eifert, S.; Heinen, R. A.

    2017-01-01

    The formation mechanism of 2-dimensional electron gases (2DEGs) at heterointerfaces between nominally insulating oxides is addressed with a thermodynamical approach. We provide a comprehensive analysis of the thermodynamic ground states of various 2DEG systems directly probed in high temperature...

  13. The use of handheld radiometry for the identification of stratigraphic characteristics of Paraiba Basin units

    International Nuclear Information System (INIS)

    Souza, Ebenezer Moreno de; Villar, Heldio Pereira; Lima, Ricardo de Andrade; Lima Filho, Mario

    2000-01-01

    A study on the use of radiometric techniques for the identification of stratigraphic characteristics of Paraiba Basin units was carried out with handheld instrumentation. The area chosen ran from north Pernambuco to south Paraiba. The presence of radioactive material had been previously determined. For this work a portable scintillometer was fixed to the door of a vehicle, on the outside, with the probe directed downwards. Background radiation was measured as 40 cps (counts per second). The scintillometer has an alarm which sounds whenever the measured count rate rises above a pre-established figure, 100 cps in the present case. Monitoring then proceeded manually. In sites where the count rate was much higher than 100 cps, the probe was lowered to the soil surface. Local coordinates were obtained by GPS. Therefore, an isoradioactivity map of the area could be drawn. The comparison between this map and local geological charts showed significant correlation between observed count rates and geologic formations. Low count rates were indicative of the Barreiras formation, whereas the highest rates were obtained for the Gramame formation (with urano-phosphatic lythotypes). It is concluded that handheld radiometry is a useful tool in geological charting, is special in areas where stratigraphic units have been masked by environmental changes and human activities. (author)

  14. Morphometric and hydro graphic analysis in the hydro graphic basin of the Salsa river in Paraiba South coast of Brasil

    International Nuclear Information System (INIS)

    Barbosa, M.; Nascimento, J.; Furrier, M.

    2010-01-01

    This paper aims to extend the knowledge on the geomorphology of the river basin Salsa, located in the town of Con de, Paraiba / Brasil. The purpose of the research was to develop thematic maps and get related morphometric data to evaluate possible influences on tectonics. Were used Map data and satellite photos which allowed morphological and clinograficos analyze

  15. Entropy Concept for Paramacrosystems with Complex States

    Directory of Open Access Journals (Sweden)

    Yuri S. Popkov

    2012-05-01

    Full Text Available Consideration is given to macrosystems called paramacrosystems with states of finite capacity and distinguishable and undistinguishable elements with stochastic behavior. The paramacrosystems fill a gap between Fermi and Einstein macrosystems. Using the method of the generating functions, we have obtained expressions for probabilistic characteristics (distribution of the macrostate probabilities, physical and information entropies of the paramacrosystems. The cases with equal and unequal prior probabilities for elements to occupy the states with finite capacities are considered. The unequal prior probabilities influence the morphological properties of the entropy functions and the functions of the macrostate probabilities, transforming them in the multimodal functions. The examples of the paramacrosystems with two-modal functions of the entropy and distribution of the macrostate probabilities are presented. The variation principle does not work for such cases.

  16. Dosimetry of radium equivalent in construction material of brick works in Sao Jose do Sabugi City - Paraiba, Brazil

    International Nuclear Information System (INIS)

    Araujo, Eduardo Eudes Nobrega de; Santos Junior, Jose Araujo dos; Amaral, Romilton dos Santos; Santos, Josineide Marques do Nascimento; Spacov, Isabel Cristina Guerra; Fernandez, Zahily Herrero

    2015-01-01

    The earth's crust has in its composition the Naturally Occurring Radioactive Material (NORM) that may have increased concentration due to activities of exploration and extraction of environmental resources. The civil construction is an economic activity that requires the use of much of the natural resources, such as the raw material of brick works, like clays, mainly used for the production of bricks and tiles. These construction materials may contain high levels of natural radioactive elements, even with concentrations higher than the limits established, given that the levels vary according to the composition of rocks and soil, due to the geological formation and may result in increased exposure of humans to natural radioactive activities. In this context, the radioecological dosimetry is defined in terms of Radium Equivalent activity (Ra eq ), that ensure radiometric conditions for the use of material derived from clays before its final application in housing construction, an initiative that ensures the radioecological safety of population. Thus, this study aimed to establish the calculation of Ra eq in the raw material of brick works located in Sao Jose do Sabugi city, state of Paraiba, in an area adjacent to the uranium deposits of Espinharas, to estimate the risks associated with primordial radionuclides attributed to TENORM activities (Technologically Enhanced Naturally Occurring Radioactive Materials) from the extraction and use of clay as a raw material in the manufacture of bricks and tiles. Analyses were performed by High Resolution Gamma Spectrometry, with HPGe-Be detector, assuming the state of secular radioactive equilibrium. The results ranged from 183.2 to 747.78 Bq/kg, with an average of 494.6 Bq/kg which exceeded the limit of 370 Bq/kg established by UNSCEAR for construction materials. Some samples obtained values exceeded by up the double this limit, suggesting control and radiometric certification for application of this material. (author)

  17. Dosimetry of radium equivalent in construction material of brick works in Sao Jose do Sabugi City - Paraiba, Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Araujo, Eduardo Eudes Nobrega de; Santos Junior, Jose Araujo dos; Amaral, Romilton dos Santos; Santos, Josineide Marques do Nascimento; Spacov, Isabel Cristina Guerra; Fernandez, Zahily Herrero, E-mail: eduardo.eudes@ufpe.br, E-mail: jaraujo@ufpe.br, E-mail: romilton@ufpe.br, E-mail: neideden@hotmail.com, E-mail: isabelspacov@gmail.com, E-mail: zahily1985@gmail.com [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Departamento de Energia Nuclear. Grupo de Radioecologia

    2015-07-01

    The earth's crust has in its composition the Naturally Occurring Radioactive Material (NORM) that may have increased concentration due to activities of exploration and extraction of environmental resources. The civil construction is an economic activity that requires the use of much of the natural resources, such as the raw material of brick works, like clays, mainly used for the production of bricks and tiles. These construction materials may contain high levels of natural radioactive elements, even with concentrations higher than the limits established, given that the levels vary according to the composition of rocks and soil, due to the geological formation and may result in increased exposure of humans to natural radioactive activities. In this context, the radioecological dosimetry is defined in terms of Radium Equivalent activity (Ra{sub eq}), that ensure radiometric conditions for the use of material derived from clays before its final application in housing construction, an initiative that ensures the radioecological safety of population. Thus, this study aimed to establish the calculation of Ra{sub eq} in the raw material of brick works located in Sao Jose do Sabugi city, state of Paraiba, in an area adjacent to the uranium deposits of Espinharas, to estimate the risks associated with primordial radionuclides attributed to TENORM activities (Technologically Enhanced Naturally Occurring Radioactive Materials) from the extraction and use of clay as a raw material in the manufacture of bricks and tiles. Analyses were performed by High Resolution Gamma Spectrometry, with HPGe-Be detector, assuming the state of secular radioactive equilibrium. The results ranged from 183.2 to 747.78 Bq/kg, with an average of 494.6 Bq/kg which exceeded the limit of 370 Bq/kg established by UNSCEAR for construction materials. Some samples obtained values exceeded by up the double this limit, suggesting control and radiometric certification for application of this material

  18. Investigating transport capacity equations in sediment yield modelling for the Cariri semi-arid region of Paraiba-PB/Brazil

    Directory of Open Access Journals (Sweden)

    E. E. De Figueiredo

    2015-03-01

    Full Text Available In the semi arid Cariri region of the state of Paraiba, Brazil, runoff is of the Hortonian type generated by excess of rainfall over infiltration capacity, and soil erosion is governed by rainfall intensity and sediment size. However, the governing sediment transport mechanism is not well understood. Sediment transport generally depends on the load of sediment provided by soil erosion and on the transport capacity of the flow. The latter is mainly governed by mechanisms such as water shear stress, or stream power. Accordingly, the load of sediment transported by the flow may vary depending on the mechanism involved in the equation of estimation. Investigation of the sediment transport capacity of the flow via a distributed physically-based model is an important and necessary task, but quite rare in semi-arid climates, and particularly in the Cariri region of the state of Paraíba/Brazil. In this study, the equations of Yalin, Engelund & Hansen, Laursen, DuBoys and Bagnold have been coupled with the MOSEE distributed physically based model aiming at identifying the mechanisms leading to the best model simulations when compared with data observed at various basin scales and land uses in the study region. The results obtained with the investigated methods were quite similar and satisfactory suggesting the feasibility of the mechanisms involved, but the observed values were better represented with Bagnold’s equation, which is physically grounded on the stream power, and we recommend it for simulations of similar climate, runoff generation mechanisms and sediment characteristics as in the study region.

  19. Operational State Complexity of Deterministic Unranked Tree Automata

    Directory of Open Access Journals (Sweden)

    Xiaoxue Piao

    2010-08-01

    Full Text Available We consider the state complexity of basic operations on tree languages recognized by deterministic unranked tree automata. For the operations of union and intersection the upper and lower bounds of both weakly and strongly deterministic tree automata are obtained. For tree concatenation we establish a tight upper bound that is of a different order than the known state complexity of concatenation of regular string languages. We show that (n+1 ( (m+12^n-2^(n-1 -1 vertical states are sufficient, and necessary in the worst case, to recognize the concatenation of tree languages recognized by (strongly or weakly deterministic automata with, respectively, m and n vertical states.

  20. Exploration potential of Paraiba and Natal platform basins, NE Brazil; Potencial exploratorio das bacias da Paraiba e da plataforma de Natal, NE do Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Barbosa, Jose A. [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil); Lima Filho, Mario; Neumann, Virginio H. [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Dept. de Geologia; Maranhao Neto, Jose Carneiro; Araujo, Joao A.A. [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Programa de Pos Graduacao em Geociencias

    2008-07-01

    The portion of Brazilian continental margin located between the Pernambuco Shear Zone (ZCPE) and Touros High, enclosing Natal Platform and Paraiba basin, NE Brazil, presents a thin sedimentary cover represented by Neo- Cretaceous deposits, over an elevated basement. In this zone the narrow platform ends abruptly against the ocean plate, forming a scarped slope. This area corresponds to the Transverse zone of Northeast Brazil (TZN) limited by two extensive transcurrent E-W shear zones that acted as accommodation zones for the strain produced by the advance of the southern and northern rift branches. During the Aptian, the rift suffered a NE deflection and contoured the Borborema Province and the TZN. The resistance of this block to the rift advance generated a prominent and elevated region into the Atlantic gulf which resulted in the absence of rift deposition over the Brazilian margin and its deviation to the African side. The model suggested by this paper denominates this area as the 'exception zone' of the Brazilian margin, which possess a poor petroliferous potential and need to be separated from the sector corresponding to the Pernambuco basin, located to south of ZCPE, representing the last piece of margin before the rift deflection and possessing an important petroliferous potential. (author)

  1. Complexity Leadership Theory: A United States Marine Corps Historical Overlay

    Science.gov (United States)

    2017-05-25

    DD-MM-YYYY) 23-04-2017 2. REPORT TYPE Master’s Thesis 3. DATES COVERED (From - To) JUN 2016 – MAY 2017 4. TITLE AND SUBTITLE Complexity...Monograph Title : Complexity Leadership Theory : A United States Marine Corps Historical Overlay Approved by...General Ridgway’s Success in Korea.” Master’s thesis , United States Army Command and General Staff College, 2010. Diana, Gabriel. “Vision, Education

  2. Ultrafast laser spectroscopy in complex solid state materials

    Energy Technology Data Exchange (ETDEWEB)

    Li, Tianqi [Iowa State Univ., Ames, IA (United States)

    2014-12-01

    This thesis summarizes my work on applying the ultrafast laser spectroscopy to the complex solid state materials. It shows that the ultrafast laser pulse can coherently control the material properties in the femtosecond time scale. And the ultrafast laser spectroscopy can be employed as a dynamical method for revealing the fundamental physical problems in the complex material systems.

  3. Impact of Climatic Variability on Hydropower Reservoirs in the Paraiba Basin, Southeast of Brazil

    Science.gov (United States)

    Barros, A.; simoes, s

    2002-05-01

    During 2000/2001, a severe drought greatly reduced the volume of water available to Brazilian hydropower plants and lead to a national water rationing plan. To undestand the potential for climatic change in hydrological regimes and its impact on hydropower we chose the Paraiba Basin located in Southeast Brazil. Three important regional multi-purpose reservoirs are operating in this basin. Moreover, the Paraiba River is of great economic and environmental importance and also constitutes a major corridor connecting the two cities of Sao Paulo and Rio de Janeiro. We analyzed monthly and daily records for rainfall, streamflow and temperature using regression and variance analysis. Rainfall records do not show any significant trend since the 1930s/1940s. By contrast, analysis of seasonal patterns show that in the last twenty years rainfall has increased during autumn and winter (dry season) and decreased during spring and summer (rainy season). Comparison between rainfall and streaflow, from small catchment without man-made influences, shows a more pronounced deficit in streamflow when compared with rainfall. The shifts in seasonal rainfall could indicate a tendency towards a more uniform rainfall pattern and could serve to reduce the streamflow. However, the largest upward trends in temperature were found in the driest months (JJA). The increase in rainfall would not be sufficient to overcome increased of evaporation expect to the same period. Instead, such increase in evaporation could create an over more pronounced streamflow deficit. Climatic variability could be reducing water availability in these reservoirs especially in the driest months. To reduce the uncertainties in hydrological predictions, planners need to incorporate climatic variability, at the catchment scale, in order to accomodate the new conditions resulting from these changes.

  4. The Common Core State Standards' Quantitative Text Complexity Trajectory: Figuring out How Much Complexity Is Enough

    Science.gov (United States)

    Williamson, Gary L.; Fitzgerald, Jill; Stenner, A. Jackson

    2013-01-01

    The Common Core State Standards (CCSS) set a controversial aspirational, quantitative trajectory for text complexity exposure for readers throughout the grades, aiming for all high school graduates to be able to independently read complex college and workplace texts. However, the trajectory standard is presented without reference to how the…

  5. Finite-State Complexity and the Size of Transducers

    Directory of Open Access Journals (Sweden)

    Cristian Calude

    2010-08-01

    Full Text Available Finite-state complexity is a variant of algorithmic information theory obtained by replacing Turing machines with finite transducers. We consider the state-size of transducers needed for minimal descriptions of arbitrary strings and, as our main result, we show that the state-size hierarchy with respect to a standard encoding is infinite. We consider also hierarchies yielded by more general computable encodings.

  6. Minimized state complexity of quantum-encoded cryptic processes

    Science.gov (United States)

    Riechers, Paul M.; Mahoney, John R.; Aghamohammadi, Cina; Crutchfield, James P.

    2016-05-01

    The predictive information required for proper trajectory sampling of a stochastic process can be more efficiently transmitted via a quantum channel than a classical one. This recent discovery allows quantum information processing to drastically reduce the memory necessary to simulate complex classical stochastic processes. It also points to a new perspective on the intrinsic complexity that nature must employ in generating the processes we observe. The quantum advantage increases with codeword length: the length of process sequences used in constructing the quantum communication scheme. In analogy with the classical complexity measure, statistical complexity, we use this reduced communication cost as an entropic measure of state complexity in the quantum representation. Previously difficult to compute, the quantum advantage is expressed here in closed form using spectral decomposition. This allows for efficient numerical computation of the quantum-reduced state complexity at all encoding lengths, including infinite. Additionally, it makes clear how finite-codeword reduction in state complexity is controlled by the classical process's cryptic order, and it allows asymptotic analysis of infinite-cryptic-order processes.

  7. Solid-state NMR spectroscopy on complex biomolecules

    NARCIS (Netherlands)

    Renault, M.A.M.; Cukkemane, A.A.; Baldus, M.

    2010-01-01

    Biomolecular applications of NMR spectroscopy are often merely associated with soluble molecules or magnetic resonance imaging. However, since the late 1970s, solid-state NMR (ssNMR) spectroscopy has demonstrated its ability to provide atomic-level insight into complex biomolecular systems ranging

  8. Scale effect in fatigue resistance under complex stressed state

    International Nuclear Information System (INIS)

    Sosnovskij, L.A.

    1979-01-01

    On the basis the of the fatigue failure statistic theory obtained is the formula for calculated estimation of probabillity of failure under complex stressed state according to partial probabilities of failure under linear stressed state with provision for the scale effect. Also the formula for calculation of equivalent stress is obtained. The verification of both formulae using literary experimental data for plane stressed state torsion has shown that the error of estimations does not exceed 10% for materials with the ultimate strength changing from 61 to 124 kg/mm 2

  9. Efficient growth of complex graph states via imperfect path erasure

    International Nuclear Information System (INIS)

    Campbell, Earl T; Fitzsimons, Joseph; Benjamin, Simon C; Kok, Pieter

    2007-01-01

    Given a suitably large and well connected (complex) graph state, any quantum algorithm can be implemented purely through local measurements on the individual qubits. Measurements can also be used to create the graph state: path erasure techniques allow one to entangle multiple qubits by determining only global properties of the qubits. Here, this powerful approach is extended by demonstrating that even imperfect path erasure can produce the required graph states with high efficiency. By characterizing the degree of error in each path erasure attempt, one can subsume the resulting imperfect entanglement into an extended graph state formalism. The subsequent growth of the improper graph state can be guided, through a series of strategic decisions, in such a way as to bound the growth of the error and eventually yield a high-fidelity graph state. As an implementation of these techniques, we develop an analytic model for atom (or atom-like) qubits in mismatched cavities, under the double-heralding entanglement procedure of Barrett and Kok (2005 Phys. Rev. A 71 060310). Compared to straightforward post-selection techniques our protocol offers a dramatic improvement in growing complex high-fidelity graph states

  10. The 'Pajeu-Paraiba System' and the Sao Jose do Campestre 'Massif' in Eastern Borborema

    International Nuclear Information System (INIS)

    Neves, Benjamim Bley de Brito; Campos Neto, Mario da Costa

    2001-01-01

    The best areas of exposures of the Pajeu-Paraiba Folding System (SPP) are in the western hinterland of Pernambuco, but the northern part of it - the so-called Alto Pajeu Terrane (TAP) - reaches the coastal zone of Paraiba (east of the 36 deg 00 ' W). This supra crustal terrane is positioned between important regional shear zones that separate it from high grade gneiss domains. To the north, there is the Rio Grande do Norte Terrane (RON)- separated by the Patos Lineament- and to the south there is the exposition of another important fraction of the basement of SPP, the Alto Moxoto Terrane (TAM). Both RON and TAM are considered mega-fragments of a previous Paleo proterozoic super continent, while TAP is assumed as a descendant segment of the Meso-Neo proterozoic orogenic belt, probably part of the super continent of that time (Rodinia). All these Nterranes are now juxtaposed and they were deeply reworked by the development of the Brasiliano Cycle, during the amalgamation of the Western Gondwana super continent. The TAP is mostly composed of muscovite-biotite gneisses (a), garnet-biotite-schists (b), intruded by augen-gneisses of granitic and syenogranitic composition (c) which are lithological assemblages of Eoneoproterozoic age (Cariris Velhos Cycle). They were diversely reworked and penetrated by granitoids (d) of the Brasiliano Cycle (as well as RGN has been), specially plutonic rocks of the end of Neo proterozoic III. These predominant rock-units (a, b, c) are positioned between major regional dextral shear zones, and their regional features are drawing an wide fan-sinformal structure, due to the Brasiliano reworking. Geochronological determinations -Rb-Sr, Sm-Nd and U-Pb methods- confirm the Paleoproterozoic age of the RGN and its reworking during the Brasiliano, as well as the early Neo proterozoic age (Cariris Velhos Cycle) for the main rock units of TAP. Granitic plutonism and processes of shearing are common events of the Brasiliano Cycle for both, RGN and

  11. The State – Nation Imbalance. Peace and Complex Circumstances

    Directory of Open Access Journals (Sweden)

    Cristian - Sorin Prună

    2008-06-01

    Full Text Available The defining reference points of this paper take into consideration the creation of severalscientific premises which would structure the approached issue - constitutional state (nationcorrelated with the term security – by reference to the current international context coordinates. Thegoal of the proposed approach is organising the elements which define the security of theconstitutional state from the perspective of the coexistence between peace and complex situations(crisis and war. In the effort of organising such a scientific matter, we attempted to realise clear,concise boundaries by means of research – the study and analysis of conflicting phenomena(conclusive factors / consequences. Thus, we pointed out the role of the modern constitutional statein the current context, the inference between the state – nation balance, through its components, topreserve peace and nation security through efficient management of complex situations.

  12. Water and energy balance in the cultivated and bake soil in a montane area in Paraiba, Brazil

    International Nuclear Information System (INIS)

    Lima, Jose Romualdo de Sousa

    2004-02-01

    In the areas of rain fed agriculture it is very important to quantify losses of water by evapotranspiration and soil evaporation. The methods used for measuring evapotranspiration and/or evaporation varies from direct measurements techniques, using lysimeters, to measurements of the water and energy balances. The precision lysimeters have high cost, being only used for research purposes. The water and energy balances methods have been very used due the simplicity, robustness and lower cost. Therefore, the objective of this study was to assess the water and energy balance components in the soil cultivated with cowpea (Vigna unguiculata (L) Walp) and without vegetation, besides comparing the methods used to determine the cowpea evapotranspiration. Two experiments (2002 and 2003) were performed in the 4 ha area of the Centro de Ciencias Agrarias, UFPB, municipality of Areia, Paraiba State (6 deg C 58 S, 5 deg C 41 W). To determine the energy balance, the area was instrumented with a rain gauge, a pyrano meter, a net radiometer, and sensors for measuring air temperature and humidity, and wind speed in two levels. Two locals, in the soil, were instrumented with two temperature sensors located at 2.0 cm and 8.0 cm below soil surface and one heat flux plate placed at 5.0 cm below soil surface. The measurements were recorded every 30 minutes on a data logger. To determine the water balance, three plots were installed, composed one-meter access tube for neutron probe measurements, and 8 tensiometers. The results show very good correlation between the aerodynamic method and the Bowen ration energy balance method, for all atmospherics and soil water conditions. For the two years, in average 72% of the net radiation was used by crop evapotranspiration. The energy and water balance can be used, the determine the crop evapotranspiration and soil evaporation, and regardless of the method used, the major water use by crop occurred in the reproductive stage. In the year of 2002

  13. Silviculture of eucaliptus plantations in the Paraiba do Sul basin, Brazil, and its potential implication on the basin ecohydrology.

    Science.gov (United States)

    Carriello, Felix; Andres Rodriguez, Daniel; Marques Neves, Otto; Vicens, Raul

    2014-05-01

    Silviculture of eucaliptus plantations is an important driver of the Mata Atlântica biome conversion into another land use in the Paraíba do Sul basin, in the southeastern of Brazil. This region is located in one of the most developed areas in Brazil, between Rio de Janeiro and São Paulo, the most important cities in Brazil, linked by Presidente Dutra highway. Between both cities there are another cities that produce a variety of goods - from meat to planes, cars and mobile phones. This area is, at the same time, one the most important hot spot for the Mata Atlântica biome. Here we have a large Mata Atlântica fragment protected by law and others fragments being conversed to pasture, agriculture, silviculture and urban areas. Paraiba do Sul river drains the region and runs into Rio de Janeiro State. The basin is highly anthropized, with multiple approaches of its waters resources. Its waters also serve Rio de Janeiro metropolitan area. Because land use and land cover changes impact the water yield in a basin, the study of its dynamic its of great importance for water resources management. We study the land use and land cover change in the region between 1986 and 2010, focusing in the development of silviculture of eucaliptus plantations. We used the HAND (Height Above Nearest Drainage) approach that uses the height above the nearest water body, acquired from SRTM Data and transformed into a Terrain Numeric Mode, to classify the landscape into three different ecohydrological environments: floodplain, mountain top and hillslope. This classes were intersected with 1986 and 2010 land use and cover change classification obtained from Landsat imagery. Results show that silviculture has increased in the region from 1986 to 2010. In both years, silviculture areas are mainly located at the hillslope (47%), while floodplain and mountain top share 28 % and 23 % respectively. Available census data from the Brazilian Institute of Geography and Statistics, IBGE, for 1995 and

  14. Structure of the Deactive State of Mammalian Respiratory Complex I.

    Science.gov (United States)

    Blaza, James N; Vinothkumar, Kutti R; Hirst, Judy

    2018-02-06

    Complex I (NADH:ubiquinone oxidoreductase) is central to energy metabolism in mammalian mitochondria. It couples NADH oxidation by ubiquinone to proton transport across the energy-conserving inner membrane, catalyzing respiration and driving ATP synthesis. In the absence of substrates, active complex I gradually enters a pronounced resting or deactive state. The active-deactive transition occurs during ischemia and is crucial for controlling how respiration recovers upon reperfusion. Here, we set a highly active preparation of Bos taurus complex I into the biochemically defined deactive state, and used single-particle electron cryomicroscopy to determine its structure to 4.1 Å resolution. We show that the deactive state arises when critical structural elements that form the ubiquinone-binding site become disordered, and we propose reactivation is induced when substrate binding to the NADH-reduced enzyme templates their reordering. Our structure both rationalizes biochemical data on the deactive state and offers new insights into its physiological and cellular roles. Copyright © 2018 The Authors. Published by Elsevier Ltd.. All rights reserved.

  15. Use of multitracers for the study of water mixing in the Paraiba do Sul River estuary

    Energy Technology Data Exchange (ETDEWEB)

    Souza, Thaisa Abreu, E-mail: abreu.thaisa@gmail.co [Departamento de Quimica, Pontificia Universidade Catolica, 22453-900 Rio de Janeiro, RJ (Brazil); Godoy, Jose Marcus [Departamento de Quimica, Pontificia Universidade Catolica, 22453-900 Rio de Janeiro, RJ (Brazil); Instituto de Radioprotecao e Dosimetria IRD/CNEN, 22780-160 Rio de Janeiro, RJ (Brazil); Godoy, Maria Luiza D.P. [Instituto de Radioprotecao e Dosimetria IRD/CNEN, 22780-160 Rio de Janeiro, RJ (Brazil); Moreira, Isabel [Departamento de Quimica, Pontificia Universidade Catolica, 22453-900 Rio de Janeiro, RJ (Brazil); Carvalho, Zenildo L. [Instituto de Radioprotecao e Dosimetria IRD/CNEN, 22780-160 Rio de Janeiro, RJ (Brazil); Salomao, Marcos Sarmet M.B.; Rezende, Carlos E. [Centro de Biociencias e Biotecnologia, Universidade Estadual do Norte Fluminense, 28013-600 Campos dos Goytacazes, RJ (Brazil)

    2010-07-15

    Multitracers were used to study water mixing in the Paraiba do Sul River estuary region in August 2007 (dry season) and March 2008 (rainy season) and to evaluate the reach of the river plume in the direction of the open ocean. Two sampling campaigns were carried out, each in a different season. Based on these results, it was possible to conclude that the multitracers used in this study (salinity, Si, Ba and U, as well as the radium isotopes {sup 223}Ra, {sup 224}Ra, {sup 226}Ra and {sup 228}Ra) presented satisfactory results toward defining the plume reach and determining the residence time and water-mixing processes in the estuary. A strong correlation was observed between tracers and the distance to the coast. During the low river water discharge period, the riverine water took about 10 days to reach open ocean waters (salinity {approx} 35). During the rainy period this value decreased to 6 days. Based on the radium results, it was possible to calculate diffusion coefficients (K{sub h}) of 23 km{sup 2} d{sup -1} and 38 km{sup 2} d{sup -1} for {sup 224}Ra and {sup 223}Ra, respectively, during the dry season (winter). Values of 65 km{sup 2} d{sup -1} and 68 km{sup 2} d{sup -1} for {sup 223}Ra and {sup 224}Ra, respectively, were found for the rainy period (summer).

  16. Use of multitracers for the study of water mixing in the Paraiba do Sul River estuary

    International Nuclear Information System (INIS)

    Souza, Thaisa Abreu; Godoy, Jose Marcus; Godoy, Maria Luiza D.P.; Moreira, Isabel; Carvalho, Zenildo L.; Salomao, Marcos Sarmet M.B.; Rezende, Carlos E.

    2010-01-01

    Multitracers were used to study water mixing in the Paraiba do Sul River estuary region in August 2007 (dry season) and March 2008 (rainy season) and to evaluate the reach of the river plume in the direction of the open ocean. Two sampling campaigns were carried out, each in a different season. Based on these results, it was possible to conclude that the multitracers used in this study (salinity, Si, Ba and U, as well as the radium isotopes 223 Ra, 224 Ra, 226 Ra and 228 Ra) presented satisfactory results toward defining the plume reach and determining the residence time and water-mixing processes in the estuary. A strong correlation was observed between tracers and the distance to the coast. During the low river water discharge period, the riverine water took about 10 days to reach open ocean waters (salinity ∼ 35). During the rainy period this value decreased to 6 days. Based on the radium results, it was possible to calculate diffusion coefficients (K h ) of 23 km 2 d -1 and 38 km 2 d -1 for 224 Ra and 223 Ra, respectively, during the dry season (winter). Values of 65 km 2 d -1 and 68 km 2 d -1 for 223 Ra and 224 Ra, respectively, were found for the rainy period (summer).

  17. Arsenic in groundwater of the Paraiba do Sul delta, Brazil: An atmospheric source?

    Science.gov (United States)

    Mirlean, N; Baisch, P; Diniz, D

    2014-06-01

    High concentrations of arsenic (>50μg L(-1)) have been detected for the first time in groundwater of the wave-dominated Paraiba do Sul delta, Brazil. The deltaic shallow groundwater aquifer is enriched in arsenic fixed by authigenic sulfides. A study of palynomorphs confirmed that aquifer sediments were formed in inter-dune lakes/swamps lately covered by eolian sands. The organic sediments of contemporaneous inter-dune lake/swamp contain very high concentration of As: up to 180mg kg(-1) and 163μg L(-1) in dry gyttja material and interstitial water, respectively. The As in recent lake/swamp sediments is retained by iron hydroxides in upper and probably by sulfides in lower layers. In the absence of connection of inter-dune lakes/swamps with fluvial currents, the atmospheric input of As could be considered as the principal source in sediments. The calculation demonstrates the possibility of high concentrations of As accumulation in sediments of inter-dune lakes/swamps from atmospheric precipitations within several centuries before they will be covered by eolian sands and turned into shallow aquifer. Considering the commonalities of wave-dominated delta formations, we can predict more prevalent As accumulation in delta plain groundwater. Copyright © 2014 Elsevier B.V. All rights reserved.

  18. Agronomic divergence of sorghum hybrids for silage yield in the semiarid region of Paraiba

    Directory of Open Access Journals (Sweden)

    Thiago Carvalho da Silva

    2011-09-01

    Full Text Available The objective of this study was to evaluate the agronomic divergence of 25 sorghum hybrids (Sorghum bicolor L. Moench in the semiarid region of Paraiba. A randomized block design with three replications was used for evaluation of plant height (PH, total natural matter production (TNMP and total dry matter production (TDMP and the percentage of components of DM (panicle, leaf blade, stem and dead matter of the following hybrids: 866005, 866019, 866033, 866034, 866035, 866036, 866037, 866040, 866041, 866042, 866043, 866044, 870025, 870031, 870035, 870041, 870051, 870067, 870081, 870085, 870095, 1F305, BRS 610, Volumax, and XBS60329. Hybrid 1F305, followed by hybrid 866034, presented the highest average PH. There was a range from 7.679 to 20.948 kg/ha (average of 13,799 kg/ha for TDMP. Hybrids 1F305, BRS 610 and Volumax presented less potential, and hybrids 866,041 and 866,042 were the most productive. Based on cluster analysis and subjective cut in 50% of dissimilarity, it was possible to establish four hierarchical groups, from which two stood out concerning productive characteristics. The group formed by hybrids Volumax, BRS 610, and XBS60329 presented lower averages for yield and lower percentage of panicle. Hybrids 866041 and 866042 show a higher total dry matter production, with values around 20,000 kg/ha.

  19. Gamma dosimetry of the uranium deposit in Sao Jose de Espinharas, Paraiba, Brazil

    International Nuclear Information System (INIS)

    Silva, Alberto Antonio da; Santos Junior, Jose Araujo dos; Cunha, Andre Felippe Vieira da; Amaral, Romilton dos Santos; Oliveira, Iane Andrade de; Bezerra, Jairo Dias; Silva, Flavio Ferreira da

    2013-01-01

    Radioecology studies contribute to the monitoring of both anthropic and natural radionuclides, as well as their correlation with the ecosystem and the population. Terrestrial sources, which mainly include the primary radionuclides of the 238 U, 232 Th, and 40 K series, contribute to a higher effective dose received by humanity, with 84% from terrestrial radionuclides and another 16% derived from cosmogenic nuclides. Areas with high levels of natural radiation, above the acceptable limits, are of great relevance for the development of dosimetry studies, whose core aims include the preservation of the environment and the control of the population's exposure to radiation. The town of Sao Jose de Espinharas, Paraiba, Brazil, has a uranium oxide mine with an average grade of 1,200 mg/kg. In the present study, non-destructive, in situ assays were performed along the entire radiometrically anomalous area. The results obtained in terms of effective doses varied from 3.79 to 93.80 mSv.y -1 , with an average of 19.47 mSv.y -1 thus leading to the conclusion that all of the monitored points presented environmental doses of above the reference value of 2.4 mSv.y -1 , suggesting that both qualitative and quantitative analyses concerning the environmental matrixes in question need to be performed. (author)

  20. Squeezed states and Hermite polynomials in a complex variable

    International Nuclear Information System (INIS)

    Ali, S. Twareque; Górska, K.; Horzela, A.; Szafraniec, F. H.

    2014-01-01

    Following the lines of the recent paper of J.-P. Gazeau and F. H. Szafraniec [J. Phys. A: Math. Theor. 44, 495201 (2011)], we construct here three types of coherent states, related to the Hermite polynomials in a complex variable which are orthogonal with respect to a non-rotationally invariant measure. We investigate relations between these coherent states and obtain the relationship between them and the squeezed states of quantum optics. We also obtain a second realization of the canonical coherent states in the Bargmann space of analytic functions, in terms of a squeezed basis. All this is done in the flavor of the classical approach of V. Bargmann [Commun. Pure Appl. Math. 14, 187 (1961)

  1. Space-time complexity in solid state models

    International Nuclear Information System (INIS)

    Bishop, A.R.

    1985-01-01

    In this Workshop on symmetry-breaking it is appropriate to include the evolving fields of nonlinear-nonequilibrium systems in which transitions to and between various degrees of ''complexity'' (including ''chaos'') occur in time or space or both. These notions naturally bring together phenomena of pattern formation and chaos and therefore have ramifications for a huge array of natural sciences - astrophysics, plasmas and lasers, hydrodynamics, field theory, materials and solid state theory, optics and electronics, biology, pattern recognition and evolution, etc. Our particular concerns here are with examples from solid state and condensed matter

  2. Complex projection of unitary dynamics of quaternionic pure states

    International Nuclear Information System (INIS)

    Asorey, M.; Scolarici, G.; Solombrino, L.

    2007-01-01

    Quaternionic quantum mechanics has been revealed to be a very useful framework to describe quantum phenomena. In the case of two qubit compound systems we show that the complex projection of quaternionic pure states and quaternionic unitary maps permits the description of interesting phenomena such as decoherence and optimal entanglement generation. The approach, however, presents severe limitations for the case of multipartite or higher dimensional bipartite quantum systems as we point out

  3. Unstable states produced in collisions among complex nuclei

    International Nuclear Information System (INIS)

    Sepulveda J, D.

    1978-01-01

    A theory about resonant elastic dispersion is formulated and the wave function of unstable states associated with the resonances observed in the differential and total sections is studied. The object of this theory is to extend to the elastic collisions among complex nuclei interesting case, the methods and formalism of the dispersion of particles without structure by an external potential, following an idea originally formulated by H. Feshbach. (author)

  4. Solid State Pathways towards Molecular Complexity in Space

    Science.gov (United States)

    Linnartz, Harold; Bossa, Jean-Baptiste; Bouwman, Jordy; Cuppen, Herma M.; Cuylle, Steven H.; van Dishoeck, Ewine F.; Fayolle, Edith C.; Fedoseev, Gleb; Fuchs, Guido W.; Ioppolo, Sergio; Isokoski, Karoliina; Lamberts, Thanja; Öberg, Karin I.; Romanzin, Claire; Tenenbaum, Emily; Zhen, Junfeng

    2011-12-01

    It has been a long standing problem in astrochemistry to explain how molecules can form in a highly dilute environment such as the interstellar medium. In the last decennium more and more evidence has been found that the observed mix of small and complex, stable and highly transient species in space is the cumulative result of gas phase and solid state reactions as well as gas-grain interactions. Solid state reactions on icy dust grains are specifically found to play an important role in the formation of the more complex ``organic'' compounds. In order to investigate the underlying physical and chemical processes detailed laboratory based experiments are needed that simulate surface reactions triggered by processes as different as thermal heating, photon (UV) irradiation and particle (atom, cosmic ray, electron) bombardment of interstellar ice analogues. Here, some of the latest research performed in the Sackler Laboratory for Astrophysics in Leiden, the Netherlands is reviewed. The focus is on hydrogenation, i.e., H-atom addition reactions and vacuum ultraviolet irradiation of interstellar ice analogues at astronomically relevant temperatures. It is shown that solid state processes are crucial in the chemical evolution of the interstellar medium, providing pathways towards molecular complexity in space.

  5. Morbidade da esquistossomose mansoni no Brasil: II - Estudo em quatro áreas de campo nos Estados de Minas Gerais, Sergipe e Paraíba Morbidity of schistosomiasis mansoni in Brazil: II - Study in 4 field areas in the states of Minas Gerais, Sergipe and Paraiba

    Directory of Open Access Journals (Sweden)

    J. Rodrigues Coura

    1983-03-01

    , and Padre Paraíso, both in Minas Gerais State and two others in the Northeast Region (Riachuelo, Sergipe State and Alhandra, Paraíba State. The total sample studied in the four areas was 4,870, divided as follows: Capitão Andrade (area1 - 1,369; Riachuelo (area 2 - 850; Padre Paraíso (area 3 - 1,736; and Alhandra (area 4 - 915. In area 1, with a total population of 1,480 inhabitants, a study of the entire population was attempted. In areas 2, 3, and 4, due to the large number of inhabitants, a systematic sample by conglomerates was studied, of approximately 25 per cent of the population (family grouping of one in every four residences. The study consisted of an evaluation of the economic and sanitary conditions of the population, of contact with the local foci of transmission of schistosomiasis, of the frequency and intensity of infection by S. mansoni and of the relation between parasite load and the different clinical forms of the disease in different age groups. In parallel, a study was carried out of the intermediate hosts in each area and of the frequency of infection with S. mansoni cercariae. The prevalence of active S. mansoni infection was 60.8, 50.5, 63.1 and 46.6 per cent in areas 1, 2, 3 and, with a median egg elimination of 207, 77.6, 391 and 211 per gram, respectively. Progressive increases in frquency of infection of parasite load and of serious forms of the disease were observed from the first to the third decade in the areas of the Southeast Region and a later increase in the same parameters in the Northeast Region. Other correlations between clinical forms of the disease and age groups, sex, and ethnical origins of the patients, as well as frequency among the planorbids, were carried out.

  6. Análise da infra-estrutura existente em unidades de produção agrícola para processamento de mel na região do Vale do Paraíba-SP Analysis of production unit infrastructure of honey processing agricultural in the Paraiba Valley, São Paulo state-Brazil

    Directory of Open Access Journals (Sweden)

    Luiz Eugênio Veneziani Pasin

    2008-04-01

    Full Text Available Objetivou-se neste trabalho analisar a existência de infra-estrutura para processamento de mel, em Unidades de Produção Agrícola-UPAs na região do Vale do Paraíba-SP. Para a realização desse trabalho utilizou-se o método de levantamento dos dados primários através de questionário. No período de janeiro de 2005 a março de 2006 realizou-se o trabalho com a amostra de 116 UPAs, que representam 33,7% do total de unidades onde há atividade apícola. Para avaliar-se a associação e a relação de dependência entre as variáveis equipamentos, casa do mel, escolaridade, tempo na atividade e número de colméias na UPA, utilizou-se o teste do qui-quadrado X² . Os resultados revelaram que a centrífuga está presente em 58,6% das UPAs e a casa do mel em 29,3% das UPAs das unidades da região. O nível de escolaridade, tempo de permanência do apicultor na atividade e o número de colméias são variáveis que estabelecem relações significativas com a existência de centrífuga e de casa do mel na UPA.The aim of this paper is to analyze the infrastructure for honey process in Agricultural Production Units (UPAs located in the Paraíba Valley (São Paulo state, Brazil. For this study to be carried out, the search of primary data method using a questionnaire was applied. From January 2005 to March 2006, 116 UPAs samples, representing 33.7% of all bee-related UPAs were used. For the association and relation of dependence among the equipment variables, "casa do mel", staff education level, time in the activity and number of bee-hives in the UPA, the chi-square (X² statistical tests were applied. The results revealed that centrifuges were present in 58.6% of UPAs, while the type of "casa do mel" occured in 29.3% of UPAs in the region. The staff education level, time in the activity and number of bee-hives are variables which are important when considering the existence of centrifuges and "casa do mel" in the UPA.

  7. Complex network analysis of state spaces for random Boolean networks

    Energy Technology Data Exchange (ETDEWEB)

    Shreim, Amer [Complexity Science Group, Department of Physics and Astronomy, University of Calgary, Calgary, AB, T2N 1N4 (Canada); Berdahl, Andrew [Complexity Science Group, Department of Physics and Astronomy, University of Calgary, Calgary, AB, T2N 1N4 (Canada); Sood, Vishal [Complexity Science Group, Department of Physics and Astronomy, University of Calgary, Calgary, AB, T2N 1N4 (Canada); Grassberger, Peter [Complexity Science Group, Department of Physics and Astronomy, University of Calgary, Calgary, AB, T2N 1N4 (Canada); Paczuski, Maya [Complexity Science Group, Department of Physics and Astronomy, University of Calgary, Calgary, AB, T2N 1N4 (Canada)

    2008-01-15

    We apply complex network analysis to the state spaces of random Boolean networks (RBNs). An RBN contains N Boolean elements each with K inputs. A directed state space network (SSN) is constructed by linking each dynamical state, represented as a node, to its temporal successor. We study the heterogeneity of these SSNs at both local and global scales, as well as sample to-sample fluctuations within an ensemble of SSNs. We use in-degrees of nodes as a local topological measure, and the path diversity (Shreim A et al 2007 Phys. Rev. Lett. 98 198701) of an SSN as a global topological measure. RBNs with 2 {<=} K {<=} 5 exhibit non-trivial fluctuations at both local and global scales, while K = 2 exhibits the largest sample-to-sample (possibly non-self-averaging) fluctuations. We interpret the observed 'multi scale' fluctuations in the SSNs as indicative of the criticality and complexity of K = 2 RBNs. 'Garden of Eden' (GoE) states are nodes on an SSN that have in-degree zero. While in-degrees of non-GoE nodes for K > 1 SSNs can assume any integer value between 0 and 2{sup N}, for K = 1 all the non-GoE nodes in a given SSN have the same in-degree which is always a power of two.

  8. Complex network analysis of state spaces for random Boolean networks

    International Nuclear Information System (INIS)

    Shreim, Amer; Berdahl, Andrew; Sood, Vishal; Grassberger, Peter; Paczuski, Maya

    2008-01-01

    We apply complex network analysis to the state spaces of random Boolean networks (RBNs). An RBN contains N Boolean elements each with K inputs. A directed state space network (SSN) is constructed by linking each dynamical state, represented as a node, to its temporal successor. We study the heterogeneity of these SSNs at both local and global scales, as well as sample to-sample fluctuations within an ensemble of SSNs. We use in-degrees of nodes as a local topological measure, and the path diversity (Shreim A et al 2007 Phys. Rev. Lett. 98 198701) of an SSN as a global topological measure. RBNs with 2 ≤ K ≤ 5 exhibit non-trivial fluctuations at both local and global scales, while K = 2 exhibits the largest sample-to-sample (possibly non-self-averaging) fluctuations. We interpret the observed 'multi scale' fluctuations in the SSNs as indicative of the criticality and complexity of K = 2 RBNs. 'Garden of Eden' (GoE) states are nodes on an SSN that have in-degree zero. While in-degrees of non-GoE nodes for K > 1 SSNs can assume any integer value between 0 and 2 N , for K = 1 all the non-GoE nodes in a given SSN have the same in-degree which is always a power of two

  9. Distinguishability of quantum states and shannon complexity in quantum cryptography

    Science.gov (United States)

    Arbekov, I. M.; Molotkov, S. N.

    2017-07-01

    The proof of the security of quantum key distribution is a rather complex problem. Security is defined in terms different from the requirements imposed on keys in classical cryptography. In quantum cryptography, the security of keys is expressed in terms of the closeness of the quantum state of an eavesdropper after key distribution to an ideal quantum state that is uncorrelated to the key of legitimate users. A metric of closeness between two quantum states is given by the trace metric. In classical cryptography, the security of keys is understood in terms of, say, the complexity of key search in the presence of side information. In quantum cryptography, side information for the eavesdropper is given by the whole volume of information on keys obtained from both quantum and classical channels. The fact that the mathematical apparatuses used in the proof of key security in classical and quantum cryptography are essentially different leads to misunderstanding and emotional discussions [1]. Therefore, one should be able to answer the question of how different cryptographic robustness criteria are related to each other. In the present study, it is shown that there is a direct relationship between the security criterion in quantum cryptography, which is based on the trace distance determining the distinguishability of quantum states, and the criterion in classical cryptography, which uses guesswork on the determination of a key in the presence of side information.

  10. Hydroelectric modelling of the Paraiba do Sul and Jequitinhonha rivers sub-basins by using the VALORAGUA computer program; Modelagem hidreletrica das sub bacias dos rios Paraiba do Sul e Jequitinhonha utilizando o programa VALORAGUA

    Energy Technology Data Exchange (ETDEWEB)

    Ferreira, Vinicius Verna Magalhaes; Aronne, Ivan Dionysio [Centro de Desenvolvimento da Tecnologia Nuclear (CDTN), Belo Horizonte, MG (Brazil)]. E-mails: vvmf@urano.cdtn.br; aroneid@urano.cdtn.br; Martinez, Carlos Barreira; Versiani, Bruno Rabelo [Minas Gerais Univ., Belo Horizonte, MG (Brazil). Escola de Engenharia. Dept. de Engenharia Hidraulica e Recursos Hidricos]. E-mail: martinez@cce.ufmg.br; versiani@ehr.ufmg.br

    2002-07-01

    This work presents a modelling of 50 hydroelectric power plants in the East Atlantica hydro graphic basin, operating, under construction or as basic projects. The simulations are performed by using the VALORAGUA computer code, developed by the EDP - Eletricidade de Portugal. The studies concentrate mostly on the sub basins of the Jequitinhonha and Paraiba do Sul rivers. The study includes the thermal power plants existent on the same geographical region. Some obtained results such as capacity factors and energy generation values are analysed. Some considerations are made on questions referring to the Brazilian energetic problems.

  11. State analysis requirements database for engineering complex embedded systems

    Science.gov (United States)

    Bennett, Matthew B.; Rasmussen, Robert D.; Ingham, Michel D.

    2004-01-01

    It has become clear that spacecraft system complexity is reaching a threshold where customary methods of control are no longer affordable or sufficiently reliable. At the heart of this problem are the conventional approaches to systems and software engineering based on subsystem-level functional decomposition, which fail to scale in the tangled web of interactions typically encountered in complex spacecraft designs. Furthermore, there is a fundamental gap between the requirements on software specified by systems engineers and the implementation of these requirements by software engineers. Software engineers must perform the translation of requirements into software code, hoping to accurately capture the systems engineer's understanding of the system behavior, which is not always explicitly specified. This gap opens up the possibility for misinterpretation of the systems engineer's intent, potentially leading to software errors. This problem is addressed by a systems engineering tool called the State Analysis Database, which provides a tool for capturing system and software requirements in the form of explicit models. This paper describes how requirements for complex aerospace systems can be developed using the State Analysis Database.

  12. The equivalence of high schools to national gymnasium in the first republic: the case of the Diocesan College of Paraiba

    Directory of Open Access Journals (Sweden)

    Wojciech Andrzej Kulesza

    2011-12-01

    Full Text Available Since the foundation of the College of Pedro II in 1838 successive legislators tried to take it as a model, not only for the schools of Rio de Janeiro but for the whole Brazilian high school. Gradually the equalization to this institution was the mechanism encountered by the government to make uniform secondary education throughout the country. With the republican laicization, the Catholic Church also begins to consider useful this mechanism to sanction officially the studies in their schools. This work, based in the documentation founded in Brazilian National Archive, focused the institution of definitive equivalence of the Diocesan College of Paraiba to the Gymnasium National in 1908.

  13. Obtaining of mullite by fast burning from bentonite clays from Paraiba state, BR

    International Nuclear Information System (INIS)

    Gomes, J.; Rocha, A.I.O.; Oliveira, S.S.; Neves, G.A.; Lira, H.L.; Santana, L.N.L.; Menezes, R.R.

    2012-01-01

    Bentonite clays are aluminium-silicates that when heated turn into mullite. The sintering of mullite obtained from these mineral clays by quick microwaves heating comes up as an alternative process for mullite powders synthesis. The use of quick heating on ceramics nanopowders synthesis is a recent technology that is being successfully used on synthesis with microwaves and synthesis process by combustion. The quick microwaves heating enables adding heat quickly and equally, accelerating the nucleation kinetics and the development of the mullite stage. Thus, the purpose of this work is to analyze the effect of the microwaves heating process variables, analyzing the influence of the applied power and of the heating rate on the mullite powders obtaining from bentonite clays. The clays have been favored and submitted to the following characterizations: chemical granulometric and mineralogically. Subsequently, the clays have been delaminated aiming deagglomeration and separation of the thinner fractions and submitted to granulometric and mineralogical characterization. The synthesis has been realized on a domestic microwaves oven. The obtained powders have been characterized by X-ray diffraction. The results showed that the applied power variation and the sintering time are fundamental on the obtaining of mullite powders. (author)

  14. Prevalence ratio of HTLV-1 in nursing mothers from the state of Paraiba, Northeastern Brazil.

    Science.gov (United States)

    Pimenta, Flávia C F; Kashima Haddad, Simone; de Medeiros Filho, João G; Costa, Maria José C; Diniz, Margareth F M; Fernandes, Melina P; de Araújo, Lenisio B; Pombo-de-Oliveira, Maria S

    2008-08-01

    The human T-cell lymphotropic virus type 1 (HTLV-1) was the first human retrovirus known as a direct causal agent of a malignant disease. The vertical route of HTLV transmission is the most frequent pathway of the virus contamination. This study was performed to determine the prevalence ratio of HTLV-1 infection among nursing women. From January 2004 to January 2005, blood samples from 1033 nursing mothers from Paraíba, Brazil were evaluated for HTLV antibodies by ELISA and HTLV-1 viral particles confirmed by polymerase chain reaction (PCR). HTLV antibodies were detected in 7 women. The overall seroprevalence ratio was 0.68% and HTLV-1 viral sequences were confirmed by PCR in 2 women. These preliminary data suggest that HTLV screening should be introduced as a mandatory test before breastfeeding and breast milk donation in Paraíba, Brazil. Additionally, counseling programs would help reduce the prevalence ratio of HTLV-1 infected individuals in this Brazilian region.

  15. Minmax defense strategy for complex multi-state systems

    International Nuclear Information System (INIS)

    Hausken, Kjell; Levitin, Gregory

    2009-01-01

    This paper presents a general optimization methodology that merges game theory and multi-state system survivability theory. The defender has multiple alternatives of defense strategy that presumes separation and protection of system elements. The attacker also has multiple alternatives of its attack strategy based on a combination of different possible attack actions against different groups of system elements. The defender minimizes, and the attacker maximizes, the expected damage caused by the attack (taking into account the unreliability of system elements and the multi-state nature of complex series-parallel systems). The problem is defined as a two-period minmax non-cooperative game between the defender who moves first and the attacker who moves second. An exhaustive minmax optimization algorithm is presented based on a double-loop genetic algorithm for determining the solution. A universal generating function technique is applied for evaluating the losses caused by system performance reduction. Illustrative examples with solutions are presented

  16. Use of thin layer chromatography for the determination of radiochemical purity of radiopharmaceuticals in nuclear medicine services of Paraiba and Rio Grande do Norte, Brazil; Utilizacao da cromatografia em camada delgada para determinacao da pureza radioquimica de radiofarmacos em servicos de medicina nuclear da Paraiba e Rio Grande do Norte, Brasil

    Energy Technology Data Exchange (ETDEWEB)

    Andrade, W.G.; Santos, P.A.L.; Lima, F.R.A. [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil). Programa de Pos-Graduacao em Tecnologia Energetica; Lima, F.F., E-mail: wellington.gandrade@gmail.com [Centro Regional de Ciencias Nucleares do Nordeste (CRCN-NE/CNEN-PE), Recife, PE (Brazil)

    2012-07-01

    The paper chromatography and the thin layer chromatography are separation techniques in which the radioactive components migrate because of their affinity with the eluent (mobile phase) or stationary phase, respectively. In radiopharmaceuticals labeled with {sup 99m}Tc, besides its own radiopharmaceutical, {sup 99m}TcO{sup 4-} free and TcO{sub 2} can be identified and quantified. The evaluation of radiochemical purity of radiopharmaceuticals is essential to produce images free of artifacts as well as avoid unnecessary absorbed dose to the patient. Once they are managed in humans it is important and necessary that they undergo to strict quality control. Because of this, ANVISA in its 'Resolucao da Diretoria Colegiada (RDC) 38 of June 4th, 2008 states the obligation of performing a minimum of tests in nuclear medicine services routine prior to human administration. This work evaluated, by the method of thin layer chromatography (TLC), radiochemical purity, determined the pH of the radiopharmaceutical DEXTRAN- 500, DMSA, DTPA, PHYTATE, MDP, MIBI and Sn-Col used in nuclear medicine services in the states of Paraiba and Rio Grande do Norte - Brazil. The results show that the use of thin layer chromatography (TLC) as a standard method in routine of nuclear medicine services is possible, because it provides important data for the evaluation of radiochemical purity, allowing the exclusion of a radiopharmaceutical poorly marked. (author)

  17. Decaying states as complex energy eigenvectors in generalized quantum mechanics

    International Nuclear Information System (INIS)

    Sudarshan, E.C.G.; Chiu, C.B.; Gorini, V.

    1977-04-01

    The problem of particle decay is reexamined within the Hamiltonian formalism. By deforming contours of integration, the survival amplitude is expressed as a sum of purely exponential contributions arising from the simple poles of the resolvent on the second sheet plus a background integral along a complex contour GAMMA running below the location of the poles. One observes that the time dependence of the survival amplitude in the small time region is strongly correlated to the asymptotic behaviour of the energy spectrum of the system; one computes the small time behavior of the survival amplitude for a wide variety of asymptotic behaviors. In the special case of the Lee model, using a formal procedure of analytic continuation, it is shown that a complete set of complex energy eigenvectors of the Hamiltonian can be associated with the poles of the resolvent of the background contour GAMMA. These poles and points along GAMMA correspond to the discrete and the continuum states respectively. In this context, each unstable particle is associated with a well defined object, which is a discrete generalized eigenstate of the Hamiltonian having a complex eigenvalue, with its real and negative imaginary parts being the mass and half width of the particle respectively. Finally, one briefly discusses the analytic continuation of the scattering amplitude within this generalized scheme, and notes the appearance of ''redundant poles'' which do not correspond to discrete solutions of the modified eigenvalue problem

  18. Geochemistry of rare earths and oxygen isotopes in granitic rocks from Monte das Gameleiras and Dona Ines, Rio Grande do Norte-Paraiba border, Brazil

    International Nuclear Information System (INIS)

    Sial, A.N.

    1984-01-01

    The study of oxygen isotopes and rare earth elements in granitic plutons of Monte das Gameleiras and Dona Ines, Rio Grande do Norte-Paraiba border, in Brazil, to define the nature of source rock of progenitor magmas, is presented. (M.C.K.) [pt

  19. Solid state photosensitive devices which employ isolated photosynthetic complexes

    Science.gov (United States)

    Peumans, Peter; Forrest, Stephen R.

    2009-09-22

    Solid state photosensitive devices including photovoltaic devices are provided which comprise a first electrode and a second electrode in superposed relation; and at least one isolated Light Harvesting Complex (LHC) between the electrodes. Preferred photosensitive devices comprise an electron transport layer formed of a first photoconductive organic semiconductor material, adjacent to the LHC, disposed between the first electrode and the LHC; and a hole transport layer formed of a second photoconductive organic semiconductor material, adjacent to the LHC, disposed between the second electrode and the LHC. Solid state photosensitive devices of the present invention may comprise at least one additional layer of photoconductive organic semiconductor material disposed between the first electrode and the electron transport layer; and at least one additional layer of photoconductive organic semiconductor material, disposed between the second electrode and the hole transport layer. Methods of generating photocurrent are provided which comprise exposing a photovoltaic device of the present invention to light. Electronic devices are provided which comprise a solid state photosensitive device of the present invention.

  20. Complex Analysis of Financial State and Performance of Construction Enterprises

    Directory of Open Access Journals (Sweden)

    Algirdas Krivka

    2015-12-01

    Full Text Available The paper analyses the financial state and performance of large constructions enterprises by applying financial indicators. As there is no one single decisive financial indicator enabling to objectively assess enterprise performance, the multi-criteria decision making (MCDM methods are applied with four groups of financial ratios (profitability, liquidity, solvency and asset turnover acting as evaluation criteria, while the alternatives assessed are two enterprises compared throughout the reference period of three years, also with the average indicator values of the whole construction sector. The weights of the criteria have been estimated by involving competent experts with chi-square test employed to check the degree of agreement of expert estimates. The research methodology contributes to the issue of complex evaluation of enterprise financial state and performance, while the result of the multi-criteria assessment – the ranking of enterprises and sector average with respect to financial state and performance – could be considered worth attention from business owners, potential investors, customers or other possible stakeholders.

  1. Looking for Damming Effects on the Sedimentation Rates in the Estuary Region of the Paraiba do Sul River, Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Wanderley, C. V.A. [Departamento de Quimica, Pontificia Universidade Catolica, PUC-RIO, Rio de Janeiro, RJ (Brazil); Godoya, J. M. [Departamento de Quimica, Pontificia Universidade Catolica, PUC-RIO, Rio de Janeiro and Instituto de Radioprotecao e Dosimetria, IRD, Comissao Nacional de Energia Nuclear, Rio de Janeiro, RJ (Brazil); Rezende, C. E. [Centro de Biociencias e Biotecnologia, Universidade Estadual Norte Fluminense Darcy Ribeiro, UENF, Campos dos Goytacases, RJ (Brazil); Godoy, M. L.D.P.; Carvalho, Z. L. [Instituto de Radioprotecao e Dosimetria, IRD, Comissao Nacional de Energia Nuclear, Rio de Janeiro, RJ (Brazil)

    2013-07-15

    The objective of this work is to evaluate the sedimentation rates at Paraiba do Sul estuary and to correlate them with the strong erosion that occurs in Atafona, Rio de Janeiro. The coastal line of Atafona has been regressing in the last 50 years and the sea has destroyed some constructions. There are traces that one of the factors of the situation in Atafona is the disruption of the equilibrium deposition-erosion. The sedimentation rates will show the influence of the river material input and when it happened, enabling the evaluation of the human and natural impacts suffered by the river. The work was based on three transects, north, centre and south, where 10 sediment cores with about 350 sediment samples were collected in January 2010. The sedimentation rates were obtained based on {sup 210}Pb dating and the data validated based on the heavy metal profiles and the local anthropogenic impacts records. (author)

  2. Why the coastal plain of Paraiba do Sul river not be denominated the classical model of wave dominated delta

    International Nuclear Information System (INIS)

    Martin, L.

    1987-01-01

    Existing coastal sedimentation models have not properly incorporated the fundamental role of Holocene sea-level history in the development of modern coastal regions. For example the classical work by COLEMAN and WRIGHT (1975), although analyzing the influence of as many as 400 parameters on the geometry of deltaic sand bodies, did not address the effects of Holocene sea-level oscillations. Previous work on the central portion of the Brazilian coastline indicated that the relative construction of the coastal plains. Detailed mapping and radiocarbon dating have allowed us to establish the different phases involved in the depositional history of the plain situated at the Paraiba do Sul river mouth. This history is not in keeping with the classical model of wave dominated delta. (author)

  3. Mew organometallic complexes of technetium in different oxidation states

    International Nuclear Information System (INIS)

    Joachim, J.E.

    1993-09-01

    New organometallic compounds of Tc(I), Tc(III) and Tc(VII) were synthesized and their properties examined. These compounds were correlated with their homologous compounds of manganese and rhenium, which were also synthesized by the same route. The molecular and crystal structures of most technetium complexes and of the homologous complexes of manganese and rhenium were determined by single crystal X-ray diffraction. (orig.) [de

  4. Complexity in Simplicity: Flexible Agent-based State Space Exploration

    DEFF Research Database (Denmark)

    Rasmussen, Jacob Illum; Larsen, Kim Guldstrand

    2007-01-01

    In this paper, we describe a new flexible framework for state space exploration based on cooperating agents. The idea is to let various agents with different search patterns explore the state space individually and communicate information about fruitful subpaths of the search tree to each other...

  5. Communal conflict, civil war, and the state: Complexities ...

    African Journals Online (AJOL)

    This article analyses communal conflict, which we define as violent conflict between non-state groups that are organised along a shared communal identity, and how such conflicts relate to state-based violence. We argue that a deeper understanding of communal conflicts, the different types of dynamics and conflict issues, ...

  6. Manipulating charge transfer excited state relaxation and spin crossover in iron coordination complexes with ligand substitution

    DEFF Research Database (Denmark)

    Zhang, Wenkai; Kjær, Kasper Skov; Alonso-Mori, Roberto

    2017-01-01

    iron complexes with four cyanide (CN-;) ligands and one 2,2′-bipyridine (bpy) ligand. This enables MLCT excited state and metal-centered excited state energies to be manipulated with partial independence and provides a path to suppressing spin crossover. We have combined X-ray Free-Electron Laser (XFEL...... state lifetime of iron based complexes due to spin crossover-the extremely fast intersystem crossing and internal conversion to high spin metal-centered excited states. We revitalize a 30 year old synthetic strategy for extending the MLCT excited state lifetimes of iron complexes by making mixed ligand...

  7. Hidden State Prediction: a modification of classic ancestral state reconstruction algorithms helps unravel complex symbioses

    Directory of Open Access Journals (Sweden)

    Jesse Robert Zaneveld

    2014-08-01

    Full Text Available Complex symbioses between animal or plant hosts and their associated microbiotas can involve thousands of species and millions of genes. Because of the number of interacting partners, it is often impractical to study all organisms or genes in these host-microbe symbioses individually. Yet new phylogenetic predictive methods can use the wealth of accumulated data on diverse model organisms to make inferences into the properties of less well-studied species and gene families. Predictive functional profiling methods use evolutionary models based on the properties of studied relatives to put bounds on the likely characteristics of an organism or gene that has not yet been studied in detail. These techniques have been applied to predict diverse features of host-associated microbial communities ranging from the enzymatic function of uncharacterized genes to the gene content of uncultured microorganisms. We consider these phylogenetically-informed predictive techniques from disparate fields as examples of a general class of algorithms for Hidden State Prediction (HSP, and argue that HSP methods have broad value in predicting organismal traits in a variety of contexts, including the study of complex host-microbe symbioses.

  8. Hidden state prediction: a modification of classic ancestral state reconstruction algorithms helps unravel complex symbioses.

    Science.gov (United States)

    Zaneveld, Jesse R R; Thurber, Rebecca L V

    2014-01-01

    Complex symbioses between animal or plant hosts and their associated microbiotas can involve thousands of species and millions of genes. Because of the number of interacting partners, it is often impractical to study all organisms or genes in these host-microbe symbioses individually. Yet new phylogenetic predictive methods can use the wealth of accumulated data on diverse model organisms to make inferences into the properties of less well-studied species and gene families. Predictive functional profiling methods use evolutionary models based on the properties of studied relatives to put bounds on the likely characteristics of an organism or gene that has not yet been studied in detail. These techniques have been applied to predict diverse features of host-associated microbial communities ranging from the enzymatic function of uncharacterized genes to the gene content of uncultured microorganisms. We consider these phylogenetically informed predictive techniques from disparate fields as examples of a general class of algorithms for Hidden State Prediction (HSP), and argue that HSP methods have broad value in predicting organismal traits in a variety of contexts, including the study of complex host-microbe symbioses.

  9. Complexity and Chaos - State-of-the-Art; Glossary

    Science.gov (United States)

    2007-09-01

    Companion to Philosophy defines emergent properties as unpredictable and irreducible: “a property of a complex system is said to be ‘emergent’ just in...Canada’s Leader in Defence and National Security Science and Technology Chef de file au Canada en matière de science et de technologie pour la

  10. Dark excited states of carotenoid in light harvesting complex probing with femtosecond stimulated Raman spectroscopy

    Directory of Open Access Journals (Sweden)

    Sakai S.

    2013-03-01

    Full Text Available Vibrational dynamics of dark excited states in carotenoids have been investigated using tunable Raman pump pulses. The S1 state has same vibrational dynamics in light-harvesting complex (LH1 and solution. The S* state in LH1 has similar vibrational modes with the triplet state of carotenoid. However, the so-called S* state in solution does not have the modes and is concluded to be different from the S* state in LH1.

  11. Epidemic dynamics and endemic states in complex networks

    OpenAIRE

    Pastor-Satorras, Romualdo; Vespignani, Alessandro

    2001-01-01

    We study by analytical methods and large scale simulations a dynamical model for the spreading of epidemics in complex networks. In networks with exponentially bounded connectivity we recover the usual epidemic behavior with a threshold defining a critical point below which the infection prevalence is null. On the contrary, on a wide range of scale-free networks we observe the absence of an epidemic threshold and its associated critical behavior. This implies that scale-free networks are pron...

  12. State densities and spectrum fluctuations: Information propagation in complex nuclei

    International Nuclear Information System (INIS)

    French, J.B.; Kota, V.K.B.

    1988-01-01

    At excitation energies in nuclei where the state density is unambiguously defined there is a sharp separation between the smoothed spectrum (which defines the density) and fluctuations about it which have recently been studied with a view to understanding some aspects of quantum chaos. We briefly review these two complementary subjects, paying special attention to: the role of the effective interaction in determining the density; the calculation of interacting-particle state and level densities, and of expectation values of interesting operators; the information about the effective nucleon-nucleon interaction which is carried both by the density and the fluctuations. 28 refs., 1 fig

  13. Epidemic dynamics and endemic states in complex networks

    Science.gov (United States)

    Pastor-Satorras, Romualdo; Vespignani, Alessandro

    2001-06-01

    We study by analytical methods and large scale simulations a dynamical model for the spreading of epidemics in complex networks. In networks with exponentially bounded connectivity we recover the usual epidemic behavior with a threshold defining a critical point below that the infection prevalence is null. On the contrary, on a wide range of scale-free networks we observe the absence of an epidemic threshold and its associated critical behavior. This implies that scale-free networks are prone to the spreading and the persistence of infections whatever spreading rate the epidemic agents might possess. These results can help understanding computer virus epidemics and other spreading phenomena on communication and social networks.

  14. Epidemic dynamics and endemic states in complex networks

    International Nuclear Information System (INIS)

    Pastor-Satorras, Romualdo; Vespignani, Alessandro

    2001-01-01

    We study by analytical methods and large scale simulations a dynamical model for the spreading of epidemics in complex networks. In networks with exponentially bounded connectivity we recover the usual epidemic behavior with a threshold defining a critical point below that the infection prevalence is null. On the contrary, on a wide range of scale-free networks we observe the absence of an epidemic threshold and its associated critical behavior. This implies that scale-free networks are prone to the spreading and the persistence of infections whatever spreading rate the epidemic agents might possess. These results can help understanding computer virus epidemics and other spreading phenomena on communication and social networks

  15. Study of rare earth elements, uranium and thorium migration in rocks from Espinharas uranium deposit, Paraiba - Brazil

    International Nuclear Information System (INIS)

    Conceicao, Cirilo C.S.

    2009-01-01

    The determination of rare earth elements as natural analogue in patterns geologic has grown as a tool for predicting the long-term safety of nuclear disposal in geological formation. Migration of natural radionuclides is one of the most serious problems in the waste deposit from nuclear fuel cycle. Rare earth elements show the same kinetic behavior in rocks as natural radionuclides. This similar property of the analogues allows perform studies and models on the subject of radionuclides migration. The aim of this study was to determine the distribution of rare earth elements in rocks located at Espinharas - Paraiba - Brazil, uranium deposit. In this work are presented the results from the study above the distribution of rare earth elements in function of the degree of mineralized rocks, composition and the conditions of radioactive equilibrium of the uranium and thorium in some fractures on the rocks from radioactive occurrence of Espinharas-Brazil. The results show that there is a correlation of heavy rare earth elements, uranium and Thorium concentrations to oxidation factor of the rocks. However this correlation was not observed for light rare earth elements. It means that heavy rare earth elements follow the natural radionuclides in oxidation process of rocks. The samples were analyzed by ICP-MS, alpha and gamma spectrometry, X-ray diffraction and fluorimetry. (author)

  16. Income inequality: A complex network analysis of US states

    Science.gov (United States)

    Gogas, Periklis; Gupta, Rangan; Miller, Stephen M.; Papadimitriou, Theophilos; Sarantitis, Georgios Antonios

    2017-10-01

    This study performs a long-run, inter-temporal analysis of income inequality in the US spanning the period 1916-2012. We employ both descriptive analysis and the Threshold-Minimum Dominating Set methodology from Graph Theory, to examine the evolution of inequality through time. In doing so, we use two alternative measures of inequality: the Top 1% share of income and the Gini coefficient. This provides new insight on the literature of income inequality across the US states. Several empirical findings emerge. First, a heterogeneous evolution of inequality exists across the four focal sub-periods. Second, the results differ between the inequality measures examined. Finally, we identify groups of similarly behaving states in terms of inequality. The US authorities can use these findings to identify inequality trends and innovations and/or examples to investigate the causes of inequality within the US and implement appropriate policies.

  17. Complexity and Chaos - State-of-the-Art; Formulations and Measures of Complexity

    Science.gov (United States)

    2007-09-01

    196] GREEN , DG. Syntactic modelling and simulation. Simulation, 1990, 54, 281-286. [197] GREEN , DG. Emergent Behaviour in Biological...Systems. In GREEN , DG; BOSSOMAIER, TJ (Eds). Complex Systems - From Biology to Computation. Amsterdam: OS Press, 1993, 24-35. [198] GREENBERG, WJ. A...Transactions on Systems, Man and Cybernetics, 1989, 19, 1073-1077. [369] RAMSEY, FP. The foundations of mathematics. London: Routledge & Kegan Paul, 1950

  18. Application of Bipartite Entangled States to Quantum Mechanical Version of Complex Wavelet Transforms

    International Nuclear Information System (INIS)

    Fan Hongyi; Lu Hailiang; Xu Xuefen

    2006-01-01

    We introduce the bipartite entangled states to present a quantum mechanical version of complex wavelet transform. Using the technique of integral within an ordered product of operators we show that the complex wavelet transform can be studied in terms of various quantum state vectors in two-mode Fock space. In this way the creterion for mother wavelet can be examined quantum-mechanically and therefore more deeply.

  19. Modelling of Octahedral Manganese II Complexes with Inorganic Ligands: A Problem with Spin-States

    Directory of Open Access Journals (Sweden)

    Ludwik Adamowicz

    2003-08-01

    Full Text Available Abstract: Quantum mechanical ab initio UHF, MP2, MC-SCF and DFT calculations with moderate Gaussian basis sets were performed for MnX6, X = H2O, F-, CN-, manganese octahedral complexes. The correct spin-state of the complexes was obtained only when the counter ions neutralizing the entire complexes were used in the modelling at the B3LYP level of theory.

  20. Radium isotopes as a tool for the study of water mixing in the Paraiba do Sul River Estuary

    International Nuclear Information System (INIS)

    Souza, Thaisa Abreu de; Moreira, Isabel M.N.S.; Rezende, Carlos E. de

    2008-01-01

    Four isotopes of radium with different half-lives exist in nature. In aquatic systems, radium isotopes present distinct characteristics in salt water and fresh water environments. In fresh waters, radium appears adsorbed to particulate material while in sea water radium presents a conservative behavior, being the concentration of different isotopes of radium governed by the processes of dilution, advection and diffusion, as well as radioactive decay. The four natural isotopes of radium are tracers extensively used to determine ratios of water mixture and to calculate the period since the radium was added to the water column. The short-lived isotopes, 223 Ra (half-life = 11.4 days) and 224 Ra (half-life = 3.66 days), are continually regenerated from decay of their thorium parents, which are perpetually bound to particles surfaces. On the other hand, the long-lived isotopes, 226 Ra (half-life = 1600 yrs) and 228 Ra (half-life = 5.7 yrs), require considerable time for regeneration. These fluxes must be sustained by input water from rivers, sediments, SGD, or other sources. In the present work, developed at the estuary of the Paraiba do Sul River, the short half-lived radium isotopes ( 224 Ra and 223 Ra) were determined using the technique of coincidence delayed developed. The isotopes of long half-lifed ( 22 26Ra and 22 28Ra) were determined by the technique of total alpha and beta counting, after the dissolution of the MnO 2 fiber used to pre-concentrate radium. (author)

  1. Mineral composition of pastures and mineral deficiencies in cattle of some properties in Middle Paraiba, RJ, Brazil

    Directory of Open Access Journals (Sweden)

    Ana Paula Lopes Marques

    2014-01-01

    Full Text Available ABSTRACT. Marques A.P.L., Botteon R.C.C.M., Amorim E.B., Botteon P.T.L &Zonta E. [Mineral composition of pastures and mineral deficiencies in cattle of some properties in Middle Paraiba, RJ, Brazil.] Composição mineral das pastagens e deficiências minerais dos bovinos em algumas propriedades da região do Médio Paraíba, RJ, Brasil. Revista Brasileira de Medicina Veterinária, 36(1:71-78, 2014. Departamento de Medicina e Cirurgia Veterinária, Universidade Federal Rural do Rio de Janeiro, BR 465 Km 7, Seropédica, RJ 23851-900, Brasil. E-mail: marquesapl@ufrrj.br We studied levels and nutrient availability in the soil and grazing of cattle in Middle Paraíba, RJ, Brazil in the early dry season (May-June and rainy (November-December in seven cattle herds with a history of clinical deficiencies of Na, Cu, Co and P, identified through visits to farmers. The mineral contents in the samples were determined by atomic absorption spectrophotometry and values obtained were compared with clinical signs found. Low values of P and Na were confirmed and although the lack of Ca and Mg is uncommon, some samples showed low rates. We found high values of Fe with possible interference in the absorption of Cu, the main clinical deficiency identified in the region, and high values of Al, Zn and Mn. The results indicate that most mineral deficiencies diagnosed in those herds is due to antagonistic effects of minerals that are not deficient.

  2. Quantum Query Complexity for Searching Multiple Marked States from an Unsorted Database

    International Nuclear Information System (INIS)

    Shang Bin

    2007-01-01

    An important and usual sort of search problems is to find all marked states from an unsorted database with a large number of states. Grover's original quantum search algorithm is for finding single marked state with uncertainty, and it has been generalized to the case of multiple marked states, as well as been modified to find single marked state with certainty. However, the query complexity for finding all multiple marked states has not been addressed. We use a generalized Long's algorithm with high precision to solve such a problem. We calculate the approximate query complexity, which increases with the number of marked states and with the precision that we demand. In the end we introduce an algorithm for the problem on a 'duality computer' and show its advantage over other algorithms.

  3. Moessbauer spectroscopy-nuclear hyperfine technique for studying dynamic chemical states of iron complexes

    International Nuclear Information System (INIS)

    Maeda, Y.

    2005-01-01

    A brief introduction of Moessbauer spectroscopy will be presented, followed by a discussion of the Moessbauer parameters, isomer shifts, quadrupole splittings, and spectral shapes of complexes in the presence of relaxation of the electronic states of the iron atoms. The usefulness of Moessbauer spectroscopy to demonstrate the dynamic phenomena of electronic states will be discussed in this lecture. (1) The Moessbauer spectra of mixed valence dinuclear and trinuclear iron complexes will be discussed in connection with the chemical structure of the complexes: The values of the quadrupole splittings and isomer shifts of [Fe II Fe III (bpmp) (ppa) 2 ](BF 4 ) 2 increase on raising the temperature, where Hbpmp represents 2,6-bis[bis(2- pyridylmethyl)aminoethyl]-4-methylphenol and ppa is 3-n-phenylpropionic acid. The spectra can be accounted for by postulating intramolecular electron exchange between two energetically inequivalent vibronic states Fe A 2+ Fe B 3+ and Fe A 3+ Fe B 2+ : The apparent time averaged valence states of the iron atoms are 2.2 and 2.8 on the Moessbauer time scale at 293 K. (2) The Moessbauer spectra of iron(III) spin-crossover complexes will be discussed in connection with the spin-transition rate and chemical structure of the complexes. The Moessbauer spectra of spin-crossover iron(III) complexes with LIESST (Light Induced Electronic Spin-State Transition) and of metallomesogens will be discussed to illustrate the extension of this research area by the use of Moessbauer spectroscopy.

  4. The Importance of the Oil and Gas Complex for the Brazilian Economy and Its States

    OpenAIRE

    Guilhoto, Joaquim Jose Martins; Ichihara, Silvio Massaru; Postali, Fernando Antonio Slaibe

    2006-01-01

    This paper presents the results of a research conducted to measure the importance of the oil and gas complex in the Brazilian economy and in its states. Initially, the efforts were concentrated in the construction of an interregional input-output system for the 27 states of the Brazilian economy at the level of 42 industries, for the year of 2002. Using this system it was possible to make an analysis of role played by the oil and gas complex in the Brazilian economy and its states. First it i...

  5. Tracking excited-state charge and spin dynamics in iron coordination complexes

    DEFF Research Database (Denmark)

    Zhang, Wenkai; Alonso-Mori, Roberto; Bergmann, Uwe

    2014-01-01

    to spin state, can elucidate the spin crossover dynamics of [Fe(2,2'-bipyridine)(3)](2+) on photoinduced metal-to-ligand charge transfer excitation. We are able to track the charge and spin dynamics, and establish the critical role of intermediate spin states in the crossover mechanism. We anticipate......Crucial to many light-driven processes in transition metal complexes is the absorption and dissipation of energy by 3d electrons(1-4). But a detailed understanding of such non-equilibrium excited-state dynamics and their interplay with structural changes is challenging: a multitude of excited...... states and possible transitions result in phenomena too complex to unravel when faced with the indirect sensitivity of optical spectroscopy to spin dynamics(5) and the flux limitations of ultrafast X-ray sources(6,7). Such a situation exists for archetypal poly-pyridyl iron complexes, such as [Fe(2...

  6. Analysis of Pilot Feedback Regarding the Use of State Awareness Technologies During Complex Situations

    Science.gov (United States)

    Evans, Emory; Young, Steven D.; Daniels, Taumi; Santiago-Espada, Yamira; Etherington, Tim

    2016-01-01

    A flight simulation study was conducted at NASA Langley Research Center to evaluate flight deck systems that (1) predict aircraft energy state and/or autoflight configuration, (2) present the current state and expected future state of automated systems, and/or (3) show the state of flight-critical data systems in use by automated systems and primary flight instruments. Four new technology concepts were evaluated vis-à-vis current state-of-the-art flight deck systems and indicators. This human-in-the-loop study was conducted using commercial airline crews. Scenarios spanned a range of complex conditions and several emulated causal factors and complexity in recent accidents involving loss of state awareness by pilots (e.g. energy state, automation state, and/or system state). Data were collected via questionnaires administered after each flight, audio/video recordings, physiological data, head and eye tracking data, pilot control inputs, and researcher observations. This paper strictly focuses on findings derived from the questionnaire responses. It includes analysis of pilot subjective measures of complexity, decision making, workload, situation awareness, usability, and acceptability.

  7. Localized excitations in nonlinear complex systems current state of the art and future perspectives

    CERN Document Server

    Cuevas-Maraver, Jesús; Frantzeskakis, Dimitri; Karachalios, Nikos; Kevrekidis, Panayotis; Palmero-Acebedo, Faustino

    2014-01-01

    The study of nonlinear localized excitations is a long-standing challenge for research in basic and applied science, as well as engineering, due to their importance in understanding and predicting phenomena arising in nonlinear and complex systems, but also due to their potential for the development and design of novel applications. This volume is a compilation of chapters representing the current state-of-the-art on the field of localized excitations and their role in the dynamics of complex physical systems.

  8. Density of phonon states in the light-harvesting complex II of green plants

    CERN Document Server

    Pieper, J K; Irrgang, K D; Renger, G

    2002-01-01

    In photosynthetic antenna complexes, the coupling of electronic transitions to low-frequency vibrations of the protein matrix (phonons) plays an essential role in light absorption and ultra-fast excitation energy transfer (EET). The model calculations presented here indicate that inelastic neutron scattering experiments provide invaluable information on the phonon density of states for light-harvesting complex II, which may permit a consistent interpretation of contradictory results from high-resolution optical spectroscopy. (orig.)

  9. On a structural property in the state complexity of projected regular languages

    Czech Academy of Sciences Publication Activity Database

    Jirásková, G.; Masopust, Tomáš

    2012-01-01

    Roč. 449, Aug 31 (2012), s. 93-105 ISSN 0304-3975 R&D Projects: GA ČR(CZ) GPP202/11/P028 Institutional research plan: CEZ:AV0Z10190503 Institutional support: RVO:67985840 Keywords : projections * state complexity * descriptional complexity Subject RIV: BA - General Mathematics Impact factor: 0.489, year: 2012 http://www.sciencedirect.com/science/article/pii/S0304397512003532

  10. Comparison of holographic and field theoretic complexities for time dependent thermofield double states

    Science.gov (United States)

    Yang, Run-Qiu; Niu, Chao; Zhang, Cheng-Yong; Kim, Keun-Young

    2018-02-01

    We compute the time-dependent complexity of the thermofield double states by four different proposals: two holographic proposals based on the "complexity-action" (CA) conjecture and "complexity-volume" (CV) conjecture, and two quantum field theoretic proposals based on the Fubini-Study metric (FS) and Finsler geometry (FG). We find that four different proposals yield both similarities and differences, which will be useful to deepen our understanding on the complexity and sharpen its definition. In particular, at early time the complexity linearly increase in the CV and FG proposals, linearly decreases in the FS proposal, and does not change in the CA proposal. In the late time limit, the CA, CV and FG proposals all show that the growth rate is 2 E/(πℏ) saturating the Lloyd's bound, while the FS proposal shows the growth rate is zero. It seems that the holographic CV conjecture and the field theoretic FG method are more correlated.

  11. On the structure and spin states of Fe(III)-EDDHA complexes.

    Science.gov (United States)

    Gómez-Gallego, Mar; Fernández, Israel; Pellico, Daniel; Gutiérrez, Angel; Sierra, Miguel A; Lucena, Juan J

    2006-07-10

    DFT methods are suitable for predicting both the geometries and spin states of EDDHA-Fe(III) complexes. Thus, extensive DFT computational studies have shown that the racemic-Fe(III) EDDHA complex is more stable than the meso isomer, regardless of the spin state of the central iron atom. A comparison of the energy values obtained for the complexes under study has also shown that high-spin (S = 5/2) complexes are more stable than low-spin (S = 1/2) ones. These computational results matched the experimental results of the magnetic susceptibility values of both isomers. In both cases, their behavior has been fitted as being due to isolated high-spin Fe(III) in a distorted octahedral environment. The study of the correlation diagram also confirms the high-spin iron in complex 2b. The geometry optimization of these complexes performed with the standard 3-21G* basis set for hydrogen, carbon, oxygen, and nitrogen and the Hay-Wadt small-core effective core potential (ECP) including a double-xi valence basis set for iron, followed by single-point energy refinement with the 6-31G* basis set, is suitable for predicting both the geometries and the spin-states of EDDHA-Fe(III) complexes. The presence of a high-spin iron in Fe(III)-EDDHA complexes could be the key to understanding their lack of reactivity in electron-transfer processes, either chemically or electrochemically induced, and their resistance to photodegradation.

  12. Parameter and State Estimation of Large-Scale Complex Systems Using Python Tools

    Directory of Open Access Journals (Sweden)

    M. Anushka S. Perera

    2015-07-01

    Full Text Available This paper discusses the topics related to automating parameter, disturbance and state estimation analysis of large-scale complex nonlinear dynamic systems using free programming tools. For large-scale complex systems, before implementing any state estimator, the system should be analyzed for structural observability and the structural observability analysis can be automated using Modelica and Python. As a result of structural observability analysis, the system may be decomposed into subsystems where some of them may be observable --- with respect to parameter, disturbances, and states --- while some may not. The state estimation process is carried out for those observable subsystems and the optimum number of additional measurements are prescribed for unobservable subsystems to make them observable. In this paper, an industrial case study is considered: the copper production process at Glencore Nikkelverk, Kristiansand, Norway. The copper production process is a large-scale complex system. It is shown how to implement various state estimators, in Python, to estimate parameters and disturbances, in addition to states, based on available measurements.

  13. New Modeling of Steady-State Modes of Complex Electrical Grids of Power Systems

    Directory of Open Access Journals (Sweden)

    Akhmetbayev Arman

    2018-01-01

    Full Text Available Classical methods for modeling the steady-state modes of complex electrical networks and systems are based on the application of nonlinear node equations. Nonlinear equations are solved by iterative methods, which are connected by known difficulties. To a certain extent, these difficulties can be weakened by applying topological methods. In this paper, we outline the theoretical foundations for the formation of the inverse form of nodal stress equations based on the topology of electrical networks and systems. A new topological method for calculating the distribution coefficients of node currents is proposed based on all possible trees of a directed graph of a complex electrical network. A complex program for calculating current distribution coefficients and forming steady-state parameters in the MATLAB environment has been developed.

  14. Simple and complex chimera states in a nonlinearly coupled oscillatory medium

    Science.gov (United States)

    Bolotov, Maxim; Smirnov, Lev; Osipov, Grigory; Pikovsky, Arkady

    2018-04-01

    We consider chimera states in a one-dimensional medium of nonlinear nonlocally coupled phase oscillators. In terms of a local coarse-grained complex order parameter, the problem of finding stationary rotating nonhomogeneous solutions reduces to a third-order ordinary differential equation. This allows finding chimera-type and other inhomogeneous states as periodic orbits of this equation. Stability calculations reveal that only some of these states are stable. We demonstrate that an oscillatory instability leads to a breathing chimera, for which the synchronous domain splits into subdomains with different mean frequencies. Further development of instability leads to turbulent chimeras.

  15. The first example of intensive luminescence of LMCT state based on metal complexes in solution

    International Nuclear Information System (INIS)

    Lukova, G.V.; Vasil'ev, V.P.; Smirnov, V.A.; Huhn, W.

    2007-01-01

    A bridge complex rac-C 6 H 10 (IndH 4 ) 2 ZrC 2 , featuring a unique long-living luminescence in liquid solutions at 20 deg C, has been prepared for the first time by catalytic hydrogenation of bis-indinyl complex C 6 H 10 (Ind) 2 Zr 2 Cl 2 . It has been identified that quantum yields of luminescence of the complex solutions at room temperature are the greatest ones for the known compounds possessing emission states of charge transfer from ligand to metal. Linear correlations of quantum yield of metal complex luminescence in a solution with steric features of the solvent molecules have been detected for the first time [ru

  16. Single-molecule spectroscopy reveals photosynthetic LH2 complexes switch between emissive states.

    Science.gov (United States)

    Schlau-Cohen, Gabriela S; Wang, Quan; Southall, June; Cogdell, Richard J; Moerner, W E

    2013-07-02

    Photosynthetic organisms flourish under low light intensities by converting photoenergy to chemical energy with near unity quantum efficiency and under high light intensities by safely dissipating excess photoenergy and deleterious photoproducts. The molecular mechanisms balancing these two functions remain incompletely described. One critical barrier to characterizing the mechanisms responsible for these processes is that they occur within proteins whose excited-state properties vary drastically among individual proteins and even within a single protein over time. In ensemble measurements, these excited-state properties appear only as the average value. To overcome this averaging, we investigate the purple bacterial antenna protein light harvesting complex 2 (LH2) from Rhodopseudomonas acidophila at the single-protein level. We use a room-temperature, single-molecule technique, the anti-Brownian electrokinetic trap, to study LH2 in a solution-phase (nonperturbative) environment. By performing simultaneous measurements of fluorescence intensity, lifetime, and spectra of single LH2 complexes, we identify three distinct states and observe transitions occurring among them on a timescale of seconds. Our results reveal that LH2 complexes undergo photoactivated switching to a quenched state, likely by a conformational change, and thermally revert to the ground state. This is a previously unobserved, reversible quenching pathway, and is one mechanism through which photosynthetic organisms can adapt to changes in light intensities.

  17. Populations of excited states and reaction mechanisms in the emission of complex fragments

    International Nuclear Information System (INIS)

    Gomez del Campo, J.

    1990-01-01

    Cross sections for emission of complex fragments (Z>2) in their ground and excited states are presented for several heavy-ion reactions at bombarding energies above 10 MeV/nucleon. Data presented are mostly on the cross sections extracted by γ-ray techniques. It is shown that a simple statistical approach to associate the ratio, of cross sections for excited states and ground states, to the temperature of the emitter fails to give the expected temperatures. However, it is shown that this is mostly due to the fact that the fragments that γ decay are secondary fragments, produced by the particle decay of the primary emitted complex fragments. A Hauser-Feshbach analysis accounts well for the cross sections and extracted temperatures. 22 refs., 6 figs

  18. Equation of limiting plasticity of the metal upon complex stress state

    International Nuclear Information System (INIS)

    Tin'gaev, A.K.

    2002-01-01

    A method for evaluation of the limiting plasticity of the metal in the zones of complex 3D stress state is presented. An analytic equation is derived for limiting plasticity. Parameters of the equation are expresses through the standard characteristics of the mechanical properties determined upon static tension of the smooth sample. Introduced into the obtained analytical equation is a universal fracture constant which indirectly characterizes the state of the material from the point of view of its capacity for elastic overstrain relaxation in the form of plastic flow or fracture. The new equation makes it possible to estimate the limiting plasticity of the metal in a state of complex stress on the basis of traditional characteristics of mechanical properties, which are not difficult to determine [ru

  19. Cation-mediated conversion of the state of charge in uranium arene inverted-sandwich complexes

    Energy Technology Data Exchange (ETDEWEB)

    Camp, Clement; Mougel, Victor; Pecaut, Jacques; Mazzanti, Marinella [Laboratoire de Reconnaissance Ionique et Chimie de Coordination, SCIB, UMR-E3 CEA-UJF, INAC, CEA-Grenoble (France); Maron, Laurent [LCPNO, CNRS and INSA, UPS, Universite de Toulouse (France)

    2013-12-16

    Two new arene inverted-sandwich complexes of uranium supported by siloxide ancillary ligands [K{U(OSi(OtBu)_3)_3}{sub 2}(μ-η{sup 6}:η{sup 6}-C{sub 7}H{sub 8})] (3) and [K{sub 2}{U(OSi(OtBu)_3)_3}{sub 2}(μ-η{sup 6}:η{sup 6}-C{sub 7}H{sub 8})] (4) were synthesized by the reduction of the parent arene-bridged complex [{U(OSi(OtBu)_3)_3}{sub 2}(μ-η{sup 6}:η{sup 6}-C{sub 7}H{sub 8})] (2) with stoichiometric amounts of KC{sub 8} yielding a rare family of inverted-sandwich complexes in three states of charge. The structural data and computational studies of the electronic structure are in agreement with the presence of high-valent uranium centers bridged by a reduced tetra-anionic toluene with the best formulation being U{sup V}-(arene{sup 4-})-U{sup V}, KU{sup IV}-(arene{sup 4-})-U{sup V}, and K{sub 2}U{sup IV}-(arene{sup 4-})-U{sup IV} for complexes 2, 3, and 4 respectively. The potassium cations in complexes 3 and 4 are coordinated to the siloxide ligands both in the solid state and in solution. The addition of KOTf (OTf=triflate) to the neutral compound 2 promotes its disproportionation to yield complexes 3 and 4 (depending on the stoichiometry) and the U{sup IV} mononuclear complex [U(OSi(OtBu){sub 3}){sub 3}(OTf)(thf){sub 2}] (5). This unprecedented reactivity demonstrates the key role of potassium for the stability of these complexes. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. Moments of generalized Husimi distributions and complexity of many-body quantum states

    International Nuclear Information System (INIS)

    Sugita, Ayumu

    2003-01-01

    We consider generalized Husimi distributions for many-body systems, and show that their moments are good measures of complexity of many-body quantum states. Our construction of the Husimi distribution is based on the coherent state of the single-particle transformation group. Then the coherent states are independent-particle states, and, at the same time, the most localized states in the Husimi representation. Therefore delocalization of the Husimi distribution, which can be measured by the moments, is a sign of many-body correlation (entanglement). Since the delocalization of the Husimi distribution is also related to chaoticity of the dynamics, it suggests a relation between entanglement and chaos. Our definition of the Husimi distribution can be applied not only to systems of distinguishable particles, but also to those of identical particles, i.e., fermions and bosons. We derive an algebraic formula to evaluate the moments of the Husimi distribution

  1. Structural oxidation state studies of the manganese cluster in the oxygen evolving complex of photosystem II

    Energy Technology Data Exchange (ETDEWEB)

    Liang, Wenchuan [Univ. of California, Berkeley, CA (United States)

    1994-11-01

    X-ray absorption spectroscopy (XAS) was performed on Photosystem II (PSII)-enriched membranes prepared from spinach to explore: (1) the correlation between structure and magnetic spin state of the Mn cluster in the oxygen evolving complex (OEC) in the S2 state; and (2) the oxidation state changes of the Mn cluster in the flash-induced S-states. The structure of the Mn cluster in the S2 state with the g~4 electron paramagnetic resonance (EPR) signal (S2-g4 state) was compared with that in the S2 state with multiline signal (S2-MLS state) and the S1 state. The S2-g4 state has a higher XAS inflection point energy than that of the S1 state, indicating the oxidation of Mn in the advance from the S1 to the S2-g4 state. Differences in the edge shape and in the extended X-ray absorption fine structure (EXAFS) show that the structure of the Mn cluster in the S2-g4 state is different from that in the S2-MLS or the S1 state. In the S2-g4 state, the second shell of backscatterers from the Mn absorber contains two Mn-Mn distances of 2.73 Å and 2.85 Å. Very little distance disorder exists in the second shell of the S1 or S2-MLS states. The third shell of the S2-g4 state at about 3.3 Å also contains increased heterogeneity relative to that of the S2-MLS or the S1 state. Various S-states were prepared at room-temperature by saturating, single-turnover flashes. The flash-dependent oscillation in the amplitude of the MLS was used to characterize the S-state composition and to construct "pure" S-state Mn K-edge spectra. The edge position shifts to higher energy by 1.8 eV upon the S1 → S2 transition.

  2. Reconfiguration of Brain Network Architectures between Resting-State and Complexity-Dependent Cognitive Reasoning.

    Science.gov (United States)

    Hearne, Luke J; Cocchi, Luca; Zalesky, Andrew; Mattingley, Jason B

    2017-08-30

    Our capacity for higher cognitive reasoning has a measurable limit. This limit is thought to arise from the brain's capacity to flexibly reconfigure interactions between spatially distributed networks. Recent work, however, has suggested that reconfigurations of task-related networks are modest when compared with intrinsic "resting-state" network architecture. Here we combined resting-state and task-driven functional magnetic resonance imaging to examine how flexible, task-specific reconfigurations associated with increasing reasoning demands are integrated within a stable intrinsic brain topology. Human participants (21 males and 28 females) underwent an initial resting-state scan, followed by a cognitive reasoning task involving different levels of complexity, followed by a second resting-state scan. The reasoning task required participants to deduce the identity of a missing element in a 4 × 4 matrix, and item difficulty was scaled parametrically as determined by relational complexity theory. Analyses revealed that external task engagement was characterized by a significant change in functional brain modules. Specifically, resting-state and null-task demand conditions were associated with more segregated brain-network topology, whereas increases in reasoning complexity resulted in merging of resting-state modules. Further increments in task complexity did not change the established modular architecture, but affected selective patterns of connectivity between frontoparietal, subcortical, cingulo-opercular, and default-mode networks. Larger increases in network efficiency within the newly established task modules were associated with higher reasoning accuracy. Our results shed light on the network architectures that underlie external task engagement, and highlight selective changes in brain connectivity supporting increases in task complexity. SIGNIFICANCE STATEMENT Humans have clear limits in their ability to solve complex reasoning problems. It is thought that

  3. Highly photoluminescent europium tetraphenylimidodiphosphinate ternary complexes with heteroaromatic co-ligands. Solution and solid state studies

    Energy Technology Data Exchange (ETDEWEB)

    Pietraszkiewicz, Marek, E-mail: mpietraszkiewicz@ichf.edu.pl [Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland); Pietraszkiewicz, Oksana; Karpiuk, Jerzy; Majka, Alina [Institute of Physical Chemistry, Polish Academy of Sciences, Kasprzaka 44/52, 01-224 Warsaw (Poland); Dutkiewicz, Grzegorz; Borowiak, Teresa [Adam Mickiewicz University, Faculty of Chemistry, Department of Crystallography, Grunwaldzka 6, 60-780 Poznań (Poland); Kaczmarek, Anna M. [L3–Luminescent Lanthanide Lab, f-element coordination chemistry, Ghent University, Department of Inorganic and Physical Chemistry, Krijgslaan 281, Building S3, 9000 Gent (Belgium); Van Deun, Rik, E-mail: rik.vandeun@ugent.be [L3–Luminescent Lanthanide Lab, f-element coordination chemistry, Ghent University, Department of Inorganic and Physical Chemistry, Krijgslaan 281, Building S3, 9000 Gent (Belgium)

    2016-02-15

    Tetraphenylimidodiphosphinate (tpip) forms neutral 3:1 complexes with lanthanide ions. These complexes can accommodate one ancillary planar heterocyclic ligand to complement their coordination sphere of Eu{sup 3+} to coordination number 8. Several co-ligands were tested to form new complexes: 1,10-phenanthroline, bathophenanthroline, 2,4,6-tris(2-pyridyl)-1,3,5-triazine, dipyrido[3,2-f:2′,3′-h]quinoxaline and 2,2′:6′,2′′-terpyridine. The addition of heterocyclic N,N-bidentate co-ligands to the coordination sphere results in a dramatic (by a factor of 45–50) luminescence enhancement of the parent Eu(tpip){sub 3}. The solid-state measurements confirmed that the ancillary ligands strongly increased the photoluminescence quantum yield (PLQY) of the investigated complexes. - Highlights: • We have disovered highly photoluminescent ternary Eu(III) complexes. • They consist of Eu(III) tetraphenylimidodiphosphinate, and planar heterocyclic ligands. • The increase in photoluminescence quantum yields in solution is enhanced up to 50 times in solution. • The solid-state photoluminescence exceeds 80% at room temperature.

  4. Highly photoluminescent europium tetraphenylimidodiphosphinate ternary complexes with heteroaromatic co-ligands. Solution and solid state studies

    International Nuclear Information System (INIS)

    Pietraszkiewicz, Marek; Pietraszkiewicz, Oksana; Karpiuk, Jerzy; Majka, Alina; Dutkiewicz, Grzegorz; Borowiak, Teresa; Kaczmarek, Anna M.; Van Deun, Rik

    2016-01-01

    Tetraphenylimidodiphosphinate (tpip) forms neutral 3:1 complexes with lanthanide ions. These complexes can accommodate one ancillary planar heterocyclic ligand to complement their coordination sphere of Eu 3+ to coordination number 8. Several co-ligands were tested to form new complexes: 1,10-phenanthroline, bathophenanthroline, 2,4,6-tris(2-pyridyl)-1,3,5-triazine, dipyrido[3,2-f:2′,3′-h]quinoxaline and 2,2′:6′,2′′-terpyridine. The addition of heterocyclic N,N-bidentate co-ligands to the coordination sphere results in a dramatic (by a factor of 45–50) luminescence enhancement of the parent Eu(tpip) 3 . The solid-state measurements confirmed that the ancillary ligands strongly increased the photoluminescence quantum yield (PLQY) of the investigated complexes. - Highlights: • We have disovered highly photoluminescent ternary Eu(III) complexes. • They consist of Eu(III) tetraphenylimidodiphosphinate, and planar heterocyclic ligands. • The increase in photoluminescence quantum yields in solution is enhanced up to 50 times in solution. • The solid-state photoluminescence exceeds 80% at room temperature.

  5. The activity state of the branched-chain 2-oxo acid dehydrogenase complex in rat tissues.

    OpenAIRE

    Wagenmakers, A J; Schepens, J T; Veldhuizen, J A; Veerkamp, J H

    1984-01-01

    An assay is described to define the proportion of the branched-chain 2-oxo acid dehydrogenase complex that is present in the active state in rat tissues. Activities are measured in homogenates in two ways: actual activities, present in tissues, by blocking both the kinase and phosphatase of the enzyme complex during homogenization, preincubation, and incubation with 1-14C-labelled branched-chain 2-oxo acid, and total activities by blocking only the kinase during the 5 min preincubation (neces...

  6. Photosynthetic complex LH2 – Absorption and steady state fluorescence spectra

    International Nuclear Information System (INIS)

    Zapletal, David; Heřman, Pavel

    2014-01-01

    Nowadays, much effort is devoted to the study of photosynthesis which could be the basis for an ideal energy source in the future. To be able to create such an energy source – an artificial photosynthetic complex, the first step is a detailed understanding of the function of photosynthetic complexes in living organisms. Photosynthesis starts with the absorption of a solar photon by one of the LH (light-harvesting) pigment–protein complexes and transferring the excitation energy to the reaction center where a charge separation is initiated. The geometric structure of some LH complexes is known in great detail, e.g. for the LH2 complexes of purple bacteria. For understanding of photosynthesis first stage efficiency, it is necessary to study especially optical properties of LH complexes. In this paper we present simulated absorption and steady-state fluorescence spectra for ring molecular system within full Hamiltonian model. Such system can model bacteriochlorophyll ring of peripheral light-harvesting complex LH2 from purple bacterium Rhodopseudomonas acidophila (Rhodoblastus acidophilus). Dynamic disorder (coupling with phonon bath) simultaneously with uncorrelated static disorder (transfer integral fluctuations) is used in our present simulations. We compare and discuss our new results with our previously published ones and of course with experimental data. - Highlights: • We model absorption and steady state fluorescence spectra for B850 ring from LH2. • Fluctuations of environment is modelled by static and dynamic disorder. • Full Hamiltonian model is compared with the nearest neighbour approximation one. • Simulated fluorescence spectrum is compared with experimental data

  7. [Urban and rural population of the state of Sao Paulo: results of the census of 1980].

    Science.gov (United States)

    Saad, P M

    1981-01-01

    The accelerated urban growth of Sao Paulo between 1940-70 has continued during the period 1970-80, according to the 1980 censes. During 1970-80 the urban population increased 55.47%, while the rural population decreased 18.67%, bringing the percentage of the urban population to 88.6% of the total population of the state. This phenomenon has been common to all the 11 administrative regions of the state. The highest percentage of the urban population in 1980 was in the region of Greater Sao Paulo, followed by Litoral and Vale do Paraiba. The largest increases in urban population were in the regions of Sorocaba, Campinas, and Vale do Paraiba, while the highest decreases in rural population were in the regions of Sao Jose do Rio Preto, Aracatuba, Presidente Prudente, and Marilia. The document presents detailed data for each of the 11 administrative regions of the state, and for each municipality within a region.

  8. Charge transfer complex states in diketopyrrolopyrrole polymers and fullerene blends: Implications for organic solar cell efficiency

    Science.gov (United States)

    Moghe, D.; Yu, P.; Kanimozhi, C.; Patil, S.; Guha, S.

    2011-12-01

    The spectral photocurrent characteristics of two donor-acceptor diketopyrrolopyrrole (DPP)-based copolymers (PDPP-BBT and TDPP-BBT) blended with a fullerene derivative [6,6]-phenyl C61-butyric acid methyl ester (PCBM) were studied using Fourier-transform photocurrent spectroscopy (FTPS) and monochromatic photocurrent (PC) method. PDPP-BBT:PCBM shows the onset of the lowest charge transfer complex (CTC) state at 1.42 eV, whereas TDPP-BBT:PCBM shows no evidence of the formation of a midgap CTC state. The FTPS and PC spectra of P3HT:PCBM are also compared. The larger singlet state energy difference of TDPP-BBT and PCBM compared to PDPP-BBT/P3HT and PCBM obliterates the formation of a midgap CTC state resulting in an enhanced photovoltaic efficiency over PDPP-BBT:PCBM.

  9. Complex network analysis of resting-state fMRI of the brain.

    Science.gov (United States)

    Anwar, Abdul Rauf; Hashmy, Muhammad Yousaf; Imran, Bilal; Riaz, Muhammad Hussnain; Mehdi, Sabtain Muhammad Muntazir; Muthalib, Makii; Perrey, Stephane; Deuschl, Gunther; Groppa, Sergiu; Muthuraman, Muthuraman

    2016-08-01

    Due to the fact that the brain activity hardly ever diminishes in healthy individuals, analysis of resting state functionality of the brain seems pertinent. Various resting state networks are active inside the idle brain at any time. Based on various neuro-imaging studies, it is understood that various structurally distant regions of the brain could be functionally connected. Regions of the brain, that are functionally connected, during rest constitutes to the resting state network. In the present study, we employed the complex network measures to estimate the presence of community structures within a network. Such estimate is named as modularity. Instead of using a traditional correlation matrix, we used a coherence matrix taken from the causality measure between different nodes. Our results show that in prolonged resting state the modularity starts to decrease. This decrease was observed in all the resting state networks and on both sides of the brain. Our study highlights the usage of coherence matrix instead of correlation matrix for complex network analysis.

  10. Complex dynamics of a Holling type II prey-predator system with state feedback control

    International Nuclear Information System (INIS)

    Jiang Guirong; Lu Qishao; Qian Linning

    2007-01-01

    The complex dynamics of a Holling type II prey-predator system with impulsive state feedback control is studied in both theoretical and numerical ways. The sufficient conditions for the existence and stability of semi-trivial and positive periodic solutions are obtained by using the Poincare map and the analogue of the Poincare criterion. The qualitative analysis shows that the positive periodic solution bifurcates from the semi-trivial solution through a fold bifurcation. The bifurcation diagrams, Lyapunov exponents, and phase portraits are illustrated by an example, in which the chaotic solutions appear via a cascade of period-doubling bifurcations. The superiority of the state feedback control strategy is also discussed

  11. Steady-state and transient heat transfer through fins of complex geometry

    Directory of Open Access Journals (Sweden)

    Taler Dawid

    2014-06-01

    Full Text Available Various methods for steady-state and transient analysis of temperature distribution and efficiency of continuous-plate fins are presented. For a constant heat transfer coefficient over the fin surface, the plate fin can be divided into imaginary rectangular or hexangular fins. At first approximate methods for determining the steady-state fin efficiency like the method of equivalent circular fin and the sector method are discussed. When the fin geometry is complex, thus transient temperature distribution and fin efficiency can be determined using numerical methods. A numerical method for transient analysis of fins with complex geometry is developed. Transient temperature distributions in continuous fins attached to oval tubes is computed using the finite volume - finite element methods. The developed method can be used in the transient analysis of compact heat exchangers to calculate correctly the heat flow rate transferred from the finned tubes to the fluid.

  12. (13)C and (15)N solid-state NMR studies on albendazole and cyclodextrin albendazole complexes.

    Science.gov (United States)

    Ferreira, M João G; García, A; Leonardi, D; Salomon, Claudio J; Lamas, M Celina; Nunes, Teresa G

    2015-06-05

    (13)C and (15)N solid-state nuclear magnetic resonance (NMR) spectra were recorded from albendazole (ABZ) and from ABZ:β-cyclodextrin, ABZ:methyl-β-cyclodextrin, ABZ:hydroxypropyl-β-cyclodextrin and ABZ:citrate-β-cyclodextrin, which were prepared by the spray-drying technique. ABZ signals were typical of a crystalline solid for the pure drug and of an amorphous compound obtained from ABZ:cyclodextrin samples. Relevant spectral differences were correlated with chemical interaction between ABZ and cyclodextrins. The number and type of complexes revealed a strong dependence on the cyclodextrin group substituent. Solid-state NMR data were consistent with the presence of stable inclusion complexes. Copyright © 2015 Elsevier Ltd. All rights reserved.

  13. Untangling complex networks: risk minimization in financial markets through accessible spin glass ground states.

    Science.gov (United States)

    Lisewski, Andreas Martin; Lichtarge, Olivier

    2010-08-15

    Recurrent international financial crises inflict significant damage to societies and stress the need for mechanisms or strategies to control risk and tamper market uncertainties. Unfortunately, the complex network of market interactions often confounds rational approaches to optimize financial risks. Here we show that investors can overcome this complexity and globally minimize risk in portfolio models for any given expected return, provided the relative margin requirement remains below a critical, empirically measurable value. In practice, for markets with centrally regulated margin requirements, a rational stabilization strategy would be keeping margins small enough. This result follows from ground states of the random field spin glass Ising model that can be calculated exactly through convex optimization when relative spin coupling is limited by the norm of the network's Laplacian matrix. In that regime, this novel approach is robust to noise in empirical data and may be also broadly relevant to complex networks with frustrated interactions that are studied throughout scientific fields.

  14. A universal indicator of critical state transitions in noisy complex networked systems.

    Science.gov (United States)

    Liang, Junhao; Hu, Yanqing; Chen, Guanrong; Zhou, Tianshou

    2017-02-23

    Critical transition, a phenomenon that a system shifts suddenly from one state to another, occurs in many real-world complex networks. We propose an analytical framework for exactly predicting the critical transition in a complex networked system subjected to noise effects. Our prediction is based on the characteristic return time of a simple one-dimensional system derived from the original higher-dimensional system. This characteristic time, which can be easily calculated using network data, allows us to systematically separate the respective roles of dynamics, noise and topology of the underlying networked system. We find that the noise can either prevent or enhance critical transitions, playing a key role in compensating the network structural defect which suffers from either internal failures or environmental changes, or both. Our analysis of realistic or artificial examples reveals that the characteristic return time is an effective indicator for forecasting the sudden deterioration of complex networks.

  15. Untangling complex networks: Risk minimization in financial markets through accessible spin glass ground states

    Science.gov (United States)

    Lisewski, Andreas Martin; Lichtarge, Olivier

    2010-08-01

    Recurrent international financial crises inflict significant damage to societies and stress the need for mechanisms or strategies to control risk and tamper market uncertainties. Unfortunately, the complex network of market interactions often confounds rational approaches to optimize financial risks. Here we show that investors can overcome this complexity and globally minimize risk in portfolio models for any given expected return, provided the margin requirement remains below a critical, empirically measurable value. In practice, for markets with centrally regulated margin requirements, a rational stabilization strategy would be keeping margins small enough. This result follows from ground states of the random field spin glass Ising model that can be calculated exactly through convex optimization when relative spin coupling is limited by the norm of the network’s Laplacian matrix. In that regime, this novel approach is robust to noise in empirical data and may be also broadly relevant to complex networks with frustrated interactions that are studied throughout scientific fields.

  16. Syntheses and a Solid State Structure of a Dinuclear Molybdenum(V Complex with Pyridine

    Directory of Open Access Journals (Sweden)

    Jon Zubieta

    2010-01-01

    Full Text Available A mononuclear complex [MoOCl4(H2O]− readily forms a metal−metal bonded {Mo2O4}2+ core. A high content of pyridine in the reaction mixture prevents further aggregation of dinuclear cores into larger clusters and a neutral, dinuclear complex with the [Mo2O4Cl2(Py4] composition is isolated as a product. Solid state structures of two compounds containing this complex, [Mo2O4Cl2(Py4]·2.25Py (1 and [Mo2O4Cl2(Py4]·1.5PyHCl (2, were investigated by X-ray crystallography.

  17. A complex guided spectral transform Lanczos method for studying quantum resonance states

    International Nuclear Information System (INIS)

    Yu, Hua-Gen

    2014-01-01

    A complex guided spectral transform Lanczos (cGSTL) algorithm is proposed to compute both bound and resonance states including energies, widths and wavefunctions. The algorithm comprises of two layers of complex-symmetric Lanczos iterations. A short inner layer iteration produces a set of complex formally orthogonal Lanczos (cFOL) polynomials. They are used to span the guided spectral transform function determined by a retarded Green operator. An outer layer iteration is then carried out with the transform function to compute the eigen-pairs of the system. The guided spectral transform function is designed to have the same wavefunctions as the eigenstates of the original Hamiltonian in the spectral range of interest. Therefore the energies and/or widths of bound or resonance states can be easily computed with their wavefunctions or by using a root-searching method from the guided spectral transform surface. The new cGSTL algorithm is applied to bound and resonance states of HO, and compared to previous calculations

  18. Mechanisms of charge-state determination in hydrogen-based impurity complexes in crystalline germanium

    International Nuclear Information System (INIS)

    Oliva, J.

    1984-01-01

    Recent experiments suggest that hydrogen may become bound to, and then tunnel around, substitutional carbon, silicon, or oxygen impurities in crystalline germanium. All these complexes are electrically active; [H,C] and [H,Si] are shallow acceptors, while [H,O] is a shallow donor. This paper attempts to elucidate the basic physical mechanisms controlling the charge state of such complexes as a function of the choice of the substitutional atom. A minimal-basis Bethe-cluster approach is used with the cluster comprising the ten-atom tetrahedral cage (including the substitutional atom) and enclosed H site, the latter coupled to all ten atoms of the cage. The important local correlation effect which tends to favor single occupation of the H site is modeled with a Hubbard-type term at that site. The charge state of the [H,C], [H,Si], and [H,O] complexes is associated with double occupation of the H site. Four aspects of the model are involved in favoring double occupation: (1) a low value of the H-site energy, (2) a reduced local correlation effect at the H site, (3) small hybridization between the H site and cage, and (4) a low value of the substitutional-site energy relative to that of the host. Results for the charge state for H at the cage center and for H near the substitutional atom are discussed in detail. Several useful formal results for local self-energies and local Green's functions are presented

  19. Detecting critical state before phase transition of complex biological systems by hidden Markov model.

    Science.gov (United States)

    Chen, Pei; Liu, Rui; Li, Yongjun; Chen, Luonan

    2016-07-15

    Identifying the critical state or pre-transition state just before the occurrence of a phase transition is a challenging task, because the state of the system may show little apparent change before this critical transition during the gradual parameter variations. Such dynamics of phase transition is generally composed of three stages, i.e. before-transition state, pre-transition state and after-transition state, which can be considered as three different Markov processes. By exploring the rich dynamical information provided by high-throughput data, we present a novel computational method, i.e. hidden Markov model (HMM) based approach, to detect the switching point of the two Markov processes from the before-transition state (a stationary Markov process) to the pre-transition state (a time-varying Markov process), thereby identifying the pre-transition state or early-warning signals of the phase transition. To validate the effectiveness, we apply this method to detect the signals of the imminent phase transitions of complex systems based on the simulated datasets, and further identify the pre-transition states as well as their critical modules for three real datasets, i.e. the acute lung injury triggered by phosgene inhalation, MCF-7 human breast cancer caused by heregulin and HCV-induced dysplasia and hepatocellular carcinoma. Both functional and pathway enrichment analyses validate the computational results. The source code and some supporting files are available at https://github.com/rabbitpei/HMM_based-method lnchen@sibs.ac.cn or liyj@scut.edu.cn Supplementary data are available at Bioinformatics online. © The Author 2016. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

  20. Macroscopic description of complex adaptive networks coevolving with dynamic node states

    Science.gov (United States)

    Wiedermann, Marc; Donges, Jonathan F.; Heitzig, Jobst; Lucht, Wolfgang; Kurths, Jürgen

    2015-05-01

    In many real-world complex systems, the time evolution of the network's structure and the dynamic state of its nodes are closely entangled. Here we study opinion formation and imitation on an adaptive complex network which is dependent on the individual dynamic state of each node and vice versa to model the coevolution of renewable resources with the dynamics of harvesting agents on a social network. The adaptive voter model is coupled to a set of identical logistic growth models and we mainly find that, in such systems, the rate of interactions between nodes as well as the adaptive rewiring probability are crucial parameters for controlling the sustainability of the system's equilibrium state. We derive a macroscopic description of the system in terms of ordinary differential equations which provides a general framework to model and quantify the influence of single node dynamics on the macroscopic state of the network. The thus obtained framework is applicable to many fields of study, such as epidemic spreading, opinion formation, or socioecological modeling.

  1. Particle hole excitations coupled to complex states in heavy-ion collisions

    International Nuclear Information System (INIS)

    Jolos, R.V.; Schmidt, R.

    1982-01-01

    The excitation of uncorrelated 1p-1h states in one nucleus due to the action of the time-dependent mean field of the other nucleus was studied earlier. No statistical assumptions or average procedures were made. Such a mechanism can be responsible for an appreciable excitation of the two nuclei during the short approach phase of the reaction (E* approximately> 100 MeV). The reversibility of the equations of motion leads to a deexcitation of the initially stored excitation energy into that of the relative motion for later times. This feedback behaviour of the internal excitation energy which results in particular to the deexcitation of high energetic 1p-1h pairs is probably not realistic due to the coupling of this states to more complex states with high density. It is studied the influence of this coupling due to the residual interaction between the nucleons on the dynamics of two colliding heavy ions

  2. Carotenoid deactivation in an artificial light-harvesting complex via a vibrationally hot ground state

    International Nuclear Information System (INIS)

    Savolainen, Janne; Buckup, Tiago; Hauer, Juergen; Jafarpour, Aliakbar; Serrat, Carles; Motzkus, Marcus; Herek, Jennifer L.

    2009-01-01

    Ultrafast relaxation of a carotenoid in an artificial light-harvesting complex has been studied by transient absorption spectroscopy. The transient signal amplitudes at several wavelengths as well as the amplitudes of the underlying species associated spectra (SAS) are analysed for several excitation energies ranging over more than two orders of magnitude (10 nJ/pulse up to 3000 nJ/pulse). Our analysis shows that the contribution from the so-called S* signal on the long-wavelength side of the first allowed S 0 → S 2 transition has a markedly different excitation energy dependence and saturation behaviour than the electronic excited state S 1 . These observations are modelled and explained in terms of a two-photon excitation of a vibrationally hot ground state via an impulsive stimulated Raman scattering (ISRS). The experimental observations of the varying pulse energy dependencies of different excited state species are supported by an analysis based on a density-matrix formalism

  3. Dynamic study of excited state hydrogen-bonded complexes of harmane in cyclohexane-toluene mixtures.

    Science.gov (United States)

    Carmona, Carmen; Balón, Manuel; Galán, Manuel; Guardado, Pilar; Muñoz, María A

    2002-09-01

    Photoinduced proton transfer reactions of harmane or 1-methyl-9H-pyrido[3,4-b]indole (HN) in the presence of the proton donor hexafluoroisopropanol (HFIP) in cyclohexane-toluene mixtures (CY-TL; 10% vol/vol of TL) have been studied. Three excited state species have been identified: a 1:2 hydrogen-bonded proton transfer complex (PTC), between the pyridinic nitrogen of the substrate and the proton donor, a hydrogen-bonded cation-like exciplex (CL*) with a stoichiometry of at least 1:3 and a zwitterionic exciplex (Z*). Time-resolved fluorescence measurements evidence that upon excitation of ground state PTC, an excited state equilibrium is established between PTC* and the cationlike exciplex, CL*, lambdaem approximately/= 390 nm. This excited state reaction is assisted by another proton donor molecule. Further reaction of CL* with an additional HFIP molecule produces the zwitterionic species, Z*, lambda(em) approximately/= 500 nm. From the analysis of the multiexponential decays, measured at different emission wavelengths and as a function of HFIP concentration, the mechanism of these excited state reactions has been established. Thus, three rate constants and three reciprocal lifetimes have been determined. The simultaneous study of 1,9-dimethyl-9H-pyrido[3,4-b]indole (MHN) under the same experimental conditions has helped to understand the excited state kinetics of these processes.

  4. Charge-Transfer Dynamics in the Lowest Excited State of a Pentacene–Fullerene Complex: Implications for Organic Solar Cells

    KAUST Repository

    Joseph, Saju

    2017-10-02

    We characterize the dynamic nature of the lowest excited state in a pentacene/C60 complex on the femtosecond time scale, via a combination of ab initio molecular dynamics and time-dependent density functional theory. We analyze the correlations between the molecular vibrations of the complex and the oscillations in the electron-transfer character of its lowest excited state, which point to vibration-induced coherences between the (pentacene-based) local-excitation (LE) state and the complex charge-transfer (CT) state. We discuss the implications of our results on this model system for the exciton-dissociation process in organic solar cells.

  5. Engineering Complex Embedded Systems with State Analysis and the Mission Data System

    Science.gov (United States)

    Ingham, Michel D.; Rasmussen, Robert D.; Bennett, Matthew B.; Moncada, Alex C.

    2004-01-01

    It has become clear that spacecraft system complexity is reaching a threshold where customary methods of control are no longer affordable or sufficiently reliable. At the heart of this problem are the conventional approaches to systems and software engineering based on subsystem-level functional decomposition, which fail to scale in the tangled web of interactions typically encountered in complex spacecraft designs. Furthermore, there is a fundamental gap between the requirements on software specified by systems engineers and the implementation of these requirements by software engineers. Software engineers must perform the translation of requirements into software code, hoping to accurately capture the systems engineer's understanding of the system behavior, which is not always explicitly specified. This gap opens up the possibility for misinterpretation of the systems engineer s intent, potentially leading to software errors. This problem is addressed by a systems engineering methodology called State Analysis, which provides a process for capturing system and software requirements in the form of explicit models. This paper describes how requirements for complex aerospace systems can be developed using State Analysis and how these requirements inform the design of the system software, using representative spacecraft examples.

  6. Hurst Exponent Analysis of Resting-State fMRI Signal Complexity across the Adult Lifespan

    Directory of Open Access Journals (Sweden)

    Jianxin Dong

    2018-02-01

    Full Text Available Exploring functional information among various brain regions across time enables understanding of healthy aging process and holds great promise for age-related brain disease diagnosis. This paper proposed a method to explore fractal complexity of the resting-state functional magnetic resonance imaging (rs-fMRI signal in the human brain across the adult lifespan using Hurst exponent (HE. We took advantage of the examined rs-fMRI data from 116 adults 19 to 85 years of age (44.3 ± 19.4 years, 49 females from NKI/Rockland sample. Region-wise and voxel-wise analyses were performed to investigate the effects of age, gender, and their interaction on complexity. In region-wise analysis, we found that the healthy aging is accompanied by a loss of complexity in frontal and parietal lobe and increased complexity in insula, limbic, and temporal lobe. Meanwhile, differences in HE between genders were found to be significant in parietal lobe (p = 0.04, corrected. However, there was no interaction between gender and age. In voxel-wise analysis, the significant complexity decrease with aging was found in frontal and parietal lobe, and complexity increase was found in insula, limbic lobe, occipital lobe, and temporal lobe with aging. Meanwhile, differences in HE between genders were found to be significant in frontal, parietal, and limbic lobe. Furthermore, we found age and sex interaction in right parahippocampal gyrus (p = 0.04, corrected. Our findings reveal HE variations of the rs-fMRI signal across the human adult lifespan and show that HE may serve as a new parameter to assess healthy aging process.

  7. Metal-induced gap states in ferroelectric capacitors and its relationship with complex band structures

    Science.gov (United States)

    Junquera, Javier; Aguado-Puente, Pablo

    2013-03-01

    At metal-isulator interfaces, the metallic wave functions with an energy eigenvalue within the band gap decay exponentially inside the dielectric (metal-induced gap states, MIGS). These MIGS can be actually regarded as Bloch functions with an associated complex wave vector. Usually only real values of the wave vectors are discussed in text books, since infinite periodicity is assumed and, in that situation, wave functions growing exponentially in any direction would not be physically valid. However, localized wave functions with an exponential decay are indeed perfectly valid solution of the Schrodinger equation in the presence of defects, surfaces or interfaces. For this reason, properties of MIGS have been typically discussed in terms of the complex band structure of bulk materials. The probable dependence on the interface particulars has been rarely taken into account explicitly due to the difficulties to include them into the model or simulations. We aim to characterize from first-principles simulations the MIGS in realistic ferroelectric capacitors and their connection with the complex band structure of the ferroelectric material. We emphasize the influence of the real interface beyond the complex band structure of bulk materials. Financial support provided by MICINN Grant FIS2009-12721-C04-02, and by the European Union Grant No. CP-FP 228989-2 ``OxIDes''. Computer resources provided by the RES.

  8. A simple state-contingent pricing rule for complex intertemporal externalities

    Energy Technology Data Exchange (ETDEWEB)

    McKitrick, Ross [Guelph Univ., ON (Canada). Dept. of Economics

    2011-01-15

    Some externalities, such as global warming, involve complex relationships between emissions and an environmental state variable, with effects over lags of uncertain length. Coming up with theoretically-motivated and practical policy options in such cases has proven difficult. Deterministic intertemporal general equilibrium models yield what appear to be feasible optimal price paths, but only by assuming away many key uncertainties, nor do they specify how the possibility of new information should affect the policy path. Bayesian models allow limited uncertainty and optimal learning based on observed effects of policy changes, but suggest a discouraging delay before optimal policy can be identified. A full insurance model suggests that risk aversion and 'fat-tailed' probabilities of catastrophe imply an implausibly (or at least impractically) large risk premium, implying that practical policy decisions depend so critically on uncertain parameters as to be unavoidably arbitrary. This paper proposes an entirely new approach based on the observation that the situation giving rise to a complex intertemporal externality also yields an observable state variable that contains information relevant to the identification of the optimal policy path. I derive a simple transformation by which the state variable can yield a good approximation to the optimal externality price. I outline assumptions sufficient to yield the transformation, and present numerical examples that illustrate its ability to follow linear and nonlinear first-best price paths. A specific application to greenhouse gases is proposed. (author)

  9. A simple state-contingent pricing rule for complex intertemporal externalities

    International Nuclear Information System (INIS)

    McKitrick, Ross

    2011-01-01

    Some externalities, such as global warming, involve complex relationships between emissions and an environmental state variable, with effects over lags of uncertain length. Coming up with theoretically-motivated and practical policy options in such cases has proven difficult. Deterministic intertemporal general equilibrium models yield what appear to be feasible optimal price paths, but only by assuming away many key uncertainties, nor do they specify how the possibility of new information should affect the policy path. Bayesian models allow limited uncertainty and optimal learning based on observed effects of policy changes, but suggest a discouraging delay before optimal policy can be identified. A full insurance model suggests that risk aversion and 'fat-tailed' probabilities of catastrophe imply an implausibly (or at least impractically) large risk premium, implying that practical policy decisions depend so critically on uncertain parameters as to be unavoidably arbitrary. This paper proposes an entirely new approach based on the observation that the situation giving rise to a complex intertemporal externality also yields an observable state variable that contains information relevant to the identification of the optimal policy path. I derive a simple transformation by which the state variable can yield a good approximation to the optimal externality price. I outline assumptions sufficient to yield the transformation, and present numerical examples that illustrate its ability to follow linear and nonlinear first-best price paths. A specific application to greenhouse gases is proposed. (author)

  10. State-Dependence of the Climate Sensitivity in Earth System Models of Intermediate Complexity

    Science.gov (United States)

    Pfister, Patrik L.; Stocker, Thomas F.

    2017-10-01

    Growing evidence from general circulation models (GCMs) indicates that the equilibrium climate sensitivity (ECS) depends on the magnitude of forcing, which is commonly referred to as state-dependence. We present a comprehensive assessment of ECS state-dependence in Earth system models of intermediate complexity (EMICs) by analyzing millennial simulations with sustained 2×CO2 and 4×CO2 forcings. We compare different extrapolation methods and show that ECS is smaller in the higher-forcing scenario in 12 out of 15 EMICs, in contrast to the opposite behavior reported from GCMs. In one such EMIC, the Bern3D-LPX model, this state-dependence is mainly due to the weakening sea ice-albedo feedback in the Southern Ocean, which depends on model configuration. Due to ocean-mixing adjustments, state-dependence is only detected hundreds of years after the abrupt forcing, highlighting the need for long model integrations. Adjustments to feedback parametrizations of EMICs may be necessary if GCM intercomparisons confirm an opposite state-dependence.

  11. The steady-state and time-resolved photophysical properties of a dimeric indium phthalocyanine complex

    International Nuclear Information System (INIS)

    Chen Yu; Araki, Yasuyuki; Dini, Danilo; Liu Ying; Ito, Osamu; Fujitsuka, Mamoru

    2006-01-01

    The steady-state and time-resolved photophysical properties and some molecular orbital calculation results of a dimeric indium phthalocyanine complex with an indium-indium bond, i.e., [tBu 4 PcIn] 2 .2tmed, have been described. The results regarding triplet excited state lifetimes can be ascribed to strong intramolecular interactions existing only in the excited state of this dimer because no significant difference in the absorption spectra of the tBu 4 PcInCl monomer and the [tBu 4 PcIn] 2 .2tmed dimer is observed, suggesting that no ground-state interaction can be assessed. The deactivation processes of the excited singlet state of [tBu 4 PcIn] 2 .2tmed are apparently faster than that of μ-oxo-bridged PcIn dimer [tBu 4 PcIn] 2 O. Molecular orbital calculation on the PcIn dimer shows no node between two indium atoms was found in the HOMO - 2 of the PcIn-InPc dimer, suggesting that bonding electrons distribute between two indium atoms

  12. Complex transitions between spike, burst or chaos synchronization states in coupled neurons with coexisting bursting patterns

    International Nuclear Information System (INIS)

    Gu Hua-Guang; Chen Sheng-Gen; Li Yu-Ye

    2015-01-01

    We investigated the synchronization dynamics of a coupled neuronal system composed of two identical Chay model neurons. The Chay model showed coexisting period-1 and period-2 bursting patterns as a parameter and initial values are varied. We simulated multiple periodic and chaotic bursting patterns with non-(NS), burst phase (BS), spike phase (SS), complete (CS), and lag synchronization states. When the coexisting behavior is near period-2 bursting, the transitions of synchronization states of the coupled system follows very complex transitions that begins with transitions between BS and SS, moves to transitions between CS and SS, and to CS. Most initial values lead to the CS state of period-2 bursting while only a few lead to the CS state of period-1 bursting. When the coexisting behavior is near period-1 bursting, the transitions begin with NS, move to transitions between SS and BS, to transitions between SS and CS, and then to CS. Most initial values lead to the CS state of period-1 bursting but a few lead to the CS state of period-2 bursting. The BS was identified as chaos synchronization. The patterns for NS and transitions between BS and SS are insensitive to initial values. The patterns for transitions between CS and SS and the CS state are sensitive to them. The number of spikes per burst of non-CS bursting increases with increasing coupling strength. These results not only reveal the initial value- and parameter-dependent synchronization transitions of coupled systems with coexisting behaviors, but also facilitate interpretation of various bursting patterns and synchronization transitions generated in the nervous system with weak coupling strength. (paper)

  13. Complex zeros of the partition function of the Q-state Potts model

    International Nuclear Information System (INIS)

    Ghulghazaryan, R.G.

    2002-01-01

    Using the dynamical systems theory, the Yang-Lee and Potts zeros of the one-dimensional Q-state Potts model are investigated for Q>0. It is shown that in the one-dimensional case the phase transition points on the complex plane may be found from the condition of existence of neutral fixed points. Densities of the Yang-Lee and Potts zeros and corresponding critical exponents are found. The Yang-Lee and Potts zeros are classified depending on the parameters of the model

  14. On common noise-induced synchronization in complex networks with state-dependent noise diffusion processes

    Science.gov (United States)

    Russo, Giovanni; Shorten, Robert

    2018-04-01

    This paper is concerned with the study of common noise-induced synchronization phenomena in complex networks of diffusively coupled nonlinear systems. We consider the case where common noise propagation depends on the network state and, as a result, the noise diffusion process at the nodes depends on the state of the network. For such networks, we present an algebraic sufficient condition for the onset of synchronization, which depends on the network topology, the dynamics at the nodes, the coupling strength and the noise diffusion. Our result explicitly shows that certain noise diffusion processes can drive an unsynchronized network towards synchronization. In order to illustrate the effectiveness of our result, we consider two applications: collective decision processes and synchronization of chaotic systems. We explicitly show that, in the former application, a sufficiently large noise can drive a population towards a common decision, while, in the latter, we show how common noise can synchronize a network of Lorentz chaotic systems.

  15. Recoil chemistry and solid state exchange in cobalt complexes : a new model

    International Nuclear Information System (INIS)

    Ramshesh, V.

    1981-01-01

    During the last thirty years considerable work has been done on various aspects of recoil chemistry and solid state exchange in cobalt complexes. Several interesting features such as 'oxygen effect', 'water of hydration effect', 'dilution with isomorphous materials', etc., have been observed. These data led workers to reject the older hypothesis based on 'fragmentation' and 'recombination' and suggest models based on exciton or electron induced exchange. However some recent data show that perhaps both the processes viz., thermal annealing in n-irradiated systems and solid state exchange are not bulk processes. This has led the author to propose a new model. In this model greater emphasis is placed on dissociation reactions followed by recombination and/or exchange reactions. (author)

  16. Water and energy balance in the cultivated and bake soil in a montane area in Paraiba, Brazil; Balanco hidrico e de energia em solo cultivado e sem vegetacao, para as condicoes do brejo paraibano

    Energy Technology Data Exchange (ETDEWEB)

    Lima, Jose Romualdo de Sousa

    2004-02-01

    In the areas of rain fed agriculture it is very important to quantify losses of water by evapotranspiration and soil evaporation. The methods used for measuring evapotranspiration and/or evaporation varies from direct measurements techniques, using lysimeters, to measurements of the water and energy balances. The precision lysimeters have high cost, being only used for research purposes. The water and energy balances methods have been very used due the simplicity, robustness and lower cost. Therefore, the objective of this study was to assess the water and energy balance components in the soil cultivated with cowpea (Vigna unguiculata (L) Walp) and without vegetation, besides comparing the methods used to determine the cowpea evapotranspiration. Two experiments (2002 and 2003) were performed in the 4 ha area of the Centro de Ciencias Agrarias, UFPB, municipality of Areia, Paraiba State (6 deg C 58 S, 5 deg C 41 W). To determine the energy balance, the area was instrumented with a rain gauge, a pyrano meter, a net radiometer, and sensors for measuring air temperature and humidity, and wind speed in two levels. Two locals, in the soil, were instrumented with two temperature sensors located at 2.0 cm and 8.0 cm below soil surface and one heat flux plate placed at 5.0 cm below soil surface. The measurements were recorded every 30 minutes on a data logger. To determine the water balance, three plots were installed, composed one-meter access tube for neutron probe measurements, and 8 tensiometers. The results show very good correlation between the aerodynamic method and the Bowen ration energy balance method, for all atmospherics and soil water conditions. For the two years, in average 72% of the net radiation was used by crop evapotranspiration. The energy and water balance can be used, the determine the crop evapotranspiration and soil evaporation, and regardless of the method used, the major water use by crop occurred in the reproductive stage. In the year of 2002

  17. Towards Hybrid Online On-Demand Querying of Realtime Data with Stateful Complex Event Processing

    Energy Technology Data Exchange (ETDEWEB)

    Zhou, Qunzhi; Simmhan, Yogesh; Prasanna, Viktor K.

    2013-10-09

    Emerging Big Data applications in areas like e-commerce and energy industry require both online and on-demand queries to be performed over vast and fast data arriving as streams. These present novel challenges to Big Data management systems. Complex Event Processing (CEP) is recognized as a high performance online query scheme which in particular deals with the velocity aspect of the 3-V’s of Big Data. However, traditional CEP systems do not consider data variety and lack the capability to embed ad hoc queries over the volume of data streams. In this paper, we propose H2O, a stateful complex event processing framework, to support hybrid online and on-demand queries over realtime data. We propose a semantically enriched event and query model to address data variety. A formal query algebra is developed to precisely capture the stateful and containment semantics of online and on-demand queries. We describe techniques to achieve the interactive query processing over realtime data featured by efficient online querying, dynamic stream data persistence and on-demand access. The system architecture is presented and the current implementation status reported.

  18. Halonium Ions as Halogen Bond Donors in the Solid State [XL2]Y Complexes.

    Science.gov (United States)

    Rissanen, Kari; Haukka, Matti

    2015-01-01

    The utilization of halogen bonding interactions is one of the most rapidly developing areas of supramolecular chemistry. While the other weak non-covalent interactions and their influence on the structure and chemistry of various molecules, complexes, and materials have been investigated extensively, the understanding, utilizations, and true nature of halogen bonding are still relatively unexplored. Thus its final impact in chemistry in general and in materials science has not yet been fully established. Because of the polarized nature of a Z-X bond (Z=electron-withdrawing atom or moiety and X=halogen atom), such a moiety can act as halogen bond donor when the halogen is polarized enough by the atom/moiety Z. The most studied and utilized halogen bond donor molecules are the perfluorohalocarbons, where Z is a perfluorinated aryl or alkyl moiety and X is either iodine or bromine. Complementing the contemporary halogen bonding research, this chapter reviews the solid state structural chemistry of the most extremely polarized halogen atoms, viz. halonium ions, X+, and discussed them as halogen bond donors in the solid state [XL2]Y complexes (X=halonium ion, Y=any anion).

  19. The activity state of the branched-chain 2-oxo acid dehydrogenase complex in rat tissues.

    Science.gov (United States)

    Wagenmakers, A J; Schepens, J T; Veldhuizen, J A; Veerkamp, J H

    1984-05-15

    An assay is described to define the proportion of the branched-chain 2-oxo acid dehydrogenase complex that is present in the active state in rat tissues. Activities are measured in homogenates in two ways: actual activities, present in tissues, by blocking both the kinase and phosphatase of the enzyme complex during homogenization, preincubation, and incubation with 1-14C-labelled branched-chain 2-oxo acid, and total activities by blocking only the kinase during the 5 min preincubation (necessary for activation). The kinase is blocked by 5 mM-ADP and absence of Mg2+ and the phosphatase by the simultaneous presence of 50 mM-NaF. About 6% of the enzyme is active in skeletal muscle of fed rats, 7% in heart, 20% in diaphragm, 47% in kidney, 60% in brain and 98% in liver. An entirely different assay, which measures activities in crude tissue extracts before and after treatment with a broad-specificity protein phosphatase, gave similar results for heart, liver and kidney. Advantages of our assay with homogenates are the presence of intact mitochondria, the simplicity, the short duration and the high sensitivity. The actual activities measured indicate that the degradation of branched-chain 2-oxo acids predominantly occurs in liver and kidney and is limited in skeletal muscle in the fed state.

  20. Decreased Complexity in Alzheimer's Disease: Resting-State fMRI Evidence of Brain Entropy Mapping

    Directory of Open Access Journals (Sweden)

    Bin Wang

    2017-11-01

    Full Text Available Alzheimer's disease (AD is a frequently observed, irreversible brain function disorder among elderly individuals. Resting-state functional magnetic resonance imaging (rs-fMRI has been introduced as an alternative approach to assessing brain functional abnormalities in AD patients. However, alterations in the brain rs-fMRI signal complexities in mild cognitive impairment (MCI and AD patients remain unclear. Here, we described the novel application of permutation entropy (PE to investigate the abnormal complexity of rs-fMRI signals in MCI and AD patients. The rs-fMRI signals of 30 normal controls (NCs, 33 early MCI (EMCI, 32 late MCI (LMCI, and 29 AD patients were obtained from the Alzheimer's disease Neuroimaging Initiative (ADNI database. After preprocessing, whole-brain entropy maps of the four groups were extracted and subjected to Gaussian smoothing. We performed a one-way analysis of variance (ANOVA on the brain entropy maps of the four groups. The results after adjusting for age and sex differences together revealed that the patients with AD exhibited lower complexity than did the MCI and NC controls. We found five clusters that exhibited significant differences and were distributed primarily in the occipital, frontal, and temporal lobes. The average PE of the five clusters exhibited a decreasing trend from MCI to AD. The AD group exhibited the least complexity. Additionally, the average PE of the five clusters was significantly positively correlated with the Mini-Mental State Examination (MMSE scores and significantly negatively correlated with Functional Assessment Questionnaire (FAQ scores and global Clinical Dementia Rating (CDR scores in the patient groups. Significant correlations were also found between the PE and regional homogeneity (ReHo in the patient groups. These results indicated that declines in PE might be related to changes in regional functional homogeneity in AD. These findings suggested that complexity analyses using PE

  1. Designing molecular complexes using free-energy derivatives from liquid-state integral equation theory

    International Nuclear Information System (INIS)

    Mrugalla, Florian; Kast, Stefan M

    2016-01-01

    Complex formation between molecules in solution is the key process by which molecular interactions are translated into functional systems. These processes are governed by the binding or free energy of association which depends on both direct molecular interactions and the solvation contribution. A design goal frequently addressed in pharmaceutical sciences is the optimization of chemical properties of the complex partners in the sense of minimizing their binding free energy with respect to a change in chemical structure. Here, we demonstrate that liquid-state theory in the form of the solute–solute equation of the reference interaction site model provides all necessary information for such a task with high efficiency. In particular, computing derivatives of the potential of mean force (PMF), which defines the free-energy surface of complex formation, with respect to potential parameters can be viewed as a means to define a direction in chemical space toward better binders. We illustrate the methodology in the benchmark case of alkali ion binding to the crown ether 18-crown-6 in aqueous solution. In order to examine the validity of the underlying solute–solute theory, we first compare PMFs computed by different approaches, including explicit free-energy molecular dynamics simulations as a reference. Predictions of an optimally binding ion radius based on free-energy derivatives are then shown to yield consistent results for different ion parameter sets and to compare well with earlier, orders-of-magnitude more costly explicit simulation results. This proof-of-principle study, therefore, demonstrates the potential of liquid-state theory for molecular design problems. (paper)

  2. Distinguishing cognitive state with multifractal complexity of hippocampal interspike interval sequences

    Directory of Open Access Journals (Sweden)

    Dustin eFetterhoff

    2015-09-01

    Full Text Available Fractality, represented as self-similar repeating patterns, is ubiquitous in nature and the brain. Dynamic patterns of hippocampal spike trains are known to exhibit multifractal properties during working memory processing; however, it is unclear whether the multifractal properties inherent to hippocampal spike trains reflect active cognitive processing. To examine this possibility, hippocampal neuronal ensembles were recorded from rats before, during and after a spatial working memory task following administration of tetrahydrocannabinol (THC, a memory-impairing component of cannabis. Multifractal detrended fluctuation analysis was performed on hippocampal interspike interval sequences to determine characteristics of monofractal long-range temporal correlations (LRTCs, quantified by the Hurst exponent, and the degree/magnitude of multifractal complexity, quantified by the width of the singularity spectrum. Our results demonstrate that multifractal firing patterns of hippocampal spike trains are a marker of functional memory processing, as they are more complex during the working memory task and significantly reduced following administration of memory impairing THC doses. Conversely, LRTCs are largest during resting state recordings, therefore reflecting different information compared to multifractality. In order to deepen conceptual understanding of multifractal complexity and LRTCs, these measures were compared to classical methods using hippocampal frequency content and firing variability measures. These results showed that LRTCs, multifractality, and theta rhythm represent independent processes, while delta rhythm correlated with multifractality. Taken together, these results provide a novel perspective on memory function by demonstrating that the multifractal nature of spike trains reflects hippocampal microcircuit activity that can be used to detect and quantify cognitive, physiological and pathological states.

  3. Jahn-Teller distortion in the phosphorescent excited state of three-coordinate Au(I) phosphine complexes.

    Science.gov (United States)

    Barakat, Khaldoon A; Cundari, Thomas R; Omary, Mohammad A

    2003-11-26

    DFT calculations were used to optimize the phosphorescent excited state of three-coordinate [Au(PR3)3]+ complexes. The results indicate that the complexes rearrange from their singlet ground-state trigonal planar geometry to a T-shape in the lowest triplet luminescent excited state. The optimized structure of the exciton contradicts the structure predicted based on the AuP bonding properties of the ground-state HOMO and LUMO. The rearrangement to T-shape is a Jahn-Teller distortion because an electron is taken from the degenerate e' (5dxy, 5dx2-y2) orbital upon photoexcitation of the ground-state D3h complex. The calculated UV absorption and visible emission energies are consistent with the experimental data and explain the large Stokes' shifts while such correlations are not possible in optimized models that constrained the exciton to the ground-state trigonal geometry.

  4. The tectono-magmatic evolution of the occidental terrane and the Paraiba do Sul Klippe within the Neoproterozoic Ribeira orogenic Belt, Southeastern Brazil

    International Nuclear Information System (INIS)

    Valladares, Claudia Sayao; Duarte, Beatriz Paschoal; Heilbron, Monica; Ragatky, Diana

    2000-01-01

    The occidental Terrane is envisaged as the eastern/southeastern reworked margin of the Sao Francisco/Rio de la Plata plate associated with and E-trending subduction under the Congo plate. The Paraiba do Sul Klippe is part of the Oriental Terrane, envisaged as a portion of the Congo plate. A collisional-stage resulted in intense westward deformation of the Occidental Terrane under intermediate pressure metamorphism (syn-D1+D2 events). A late-collisional stage resulted in subvertical folding and steep shear zones (D3 event). Both stages were associated with voluminous crustal-derived granites. U-Pb and Sm-Nd geochronology as well as geochemical and structural data point to three magmatic episodes: a syn-collisional stage 1; a syn-collisional stage 2; and a late-collisional stage. This paper presents a magmatic evolutionary model for this crustal segment of the Ribeira orogenic belt based on new geological data of Brasiliano granites and data available in the literature. (author)

  5. Forced-rupture of cell-adhesion complexes reveals abrupt switch between two brittle states

    Science.gov (United States)

    Toan, Ngo Minh; Thirumalai, D.

    2018-03-01

    Cell adhesion complexes (CACs), which are activated by ligand binding, play key roles in many cellular functions ranging from cell cycle regulation to mediation of cell extracellular matrix adhesion. Inspired by single molecule pulling experiments using atomic force spectroscopy on leukocyte function-associated antigen-1 (LFA-1), expressed in T-cells, bound to intercellular adhesion molecules (ICAM), we performed constant loading rate (rf) and constant force (F) simulations using the self-organized polymer model to describe the mechanism of ligand rupture from CACs. The simulations reproduce the major experimental finding on the kinetics of the rupture process, namely, the dependence of the most probable rupture forces (f*s) on ln rf (rf is the loading rate) exhibits two distinct linear regimes. The first, at low rf, has a shallow slope, whereas the slope at high rf is much larger, especially for a LFA-1/ICAM-1 complex with the transition between the two occurring over a narrow rf range. Locations of the two transition states (TSs) extracted from the simulations show an abrupt change from a high value at low rf or constant force, F, to a low value at high rf or F. This unusual behavior in which the CACs switch from one brittle (TS position is a constant over a range of forces) state to another brittle state is not found in forced-rupture in other protein complexes. We explain this novel behavior by constructing the free energy profiles, F(Λ)s, as a function of a collective reaction coordinate (Λ), involving many key charged residues and a critical metal ion (Mg2+). The TS positions in F(Λ), which quantitatively agree with the parameters extracted using the Bell-Evans model, change abruptly at a critical force, demonstrating that it, rather than the molecular extension, is a good reaction coordinate. Our combined analyses using simulations performed in both the pulling modes (constant rf and F) reveal a new mechanism for the two loading regimes observed in the

  6. A system to analyze the complex physiological states of coal solubilizing fungi

    Energy Technology Data Exchange (ETDEWEB)

    Hoelker, U.; Moenkemann, H.; Hoefer, M. [Universitaet Bonn, Bonn (Germany). Botanisches Institut

    1997-11-01

    The mechanism by which some microorganisms solubilize brown coal is still unknown. The paper discusses the deuteromycetes Fusarium oxysporum and Trichoderma atroviride as a suitable test system to analyse the complex fungal physiology relating to coal solubilization. The two fungi can occur in two different growth substrate-controlled physiological states: a coal-solubilizing one, when cells are grown on glutamate or gluconate as substrate and a non-solubilizing one, when grown on carbohydrates. When grown on carbohydrates, F.oxysporum produces the pigment bikaverein. Purified bikaverein inhibits also coal solubilization by T. atroviride. The ability to solubilize coal is constitutive in F. oxysporum, while in T. atroviride, it has to be induced. 10 refs., 3 figs., 3 tabs.

  7. Complex state variable- and disturbance observer-based current controllers for AC drives

    DEFF Research Database (Denmark)

    Dal, Mehmet; Teodorescu, Remus; Blaabjerg, Frede

    2013-01-01

    In vector-controlled AC drives, the design of current controller is usually based on a machine model defined in synchronous frame coordinate, where the drive performance may be degraded by both the variation of the machine parameters and the cross-coupling between the d- and q-axes components...... of the stator current. In order to improve the current control performance an alternative current control strategy was proposed previously aiming to avoid the undesired cross-coupling and non-linearities between the state variables. These effects are assumed as disturbances arisen in the closed-loop path...... of the parameter and the cross-coupling effect. Moreover, it provides a better performance, smooth and low noisy operation with respect to the complex variable controller....

  8. Radionuclide diagnosis of hepatobiliary system functional state at complex treatment of uterine cancer

    International Nuclear Information System (INIS)

    Vusik, Yi.M.; Slabodchikov, M.Je.; Nesterov, V.G.

    1993-01-01

    The study involved 68 patients with uterine cancer (stage II-III) who underwent complex treatment and 16 healthy women aged 27-69. The patients were performed hepatography (44 of them - dynamic liver scintigraphy with Tc 99m - mezida) before the treatment, immediately after and 1-1.5 and 2-3 years after the course of radiotherapy. Latent disturbance of hepatobiliary system function which can be revealed with radionuclide study is shown to be observed in the patients with uterine cancer before the treatment. The level of hepatocytes functioning after the treatment depends largely on their initial functional state. Computer assisted multichannel radiography with evaluation of effective blood flow in the liver and effective fraction of minute volume of the blood flow is the most reasonable for monitoring hepatocytes function during treatment in the patients with uterine cancer

  9. Tracking shocked dust: State estimation for a complex plasma during a shock wave

    International Nuclear Information System (INIS)

    Oxtoby, Neil P.; Ralph, Jason F.; Durniak, Celine; Samsonov, Dmitry

    2012-01-01

    We consider a two-dimensional complex (dusty) plasma crystal excited by an electrostatically-induced shock wave. Dust particle kinematics in such a system are usually determined using particle tracking velocimetry. In this work we present a particle tracking algorithm which determines the dust particle kinematics with significantly higher accuracy than particle tracking velocimetry. The algorithm uses multiple extended Kalman filters to estimate the particle states and an interacting multiple model to assign probabilities to the different filters. This enables the determination of relevant physical properties of the dust, such as kinetic energy and kinetic temperature, with high precision. We use a Hugoniot shock-jump relation to calculate a pressure-volume diagram from the shocked dust kinematics. Calculation of the full pressure-volume diagram was possible with our tracking algorithm, but not with particle tracking velocimetry.

  10. Resting state fMRI entropy probes complexity of brain activity in adults with ADHD.

    Science.gov (United States)

    Sokunbi, Moses O; Fung, Wilson; Sawlani, Vijay; Choppin, Sabine; Linden, David E J; Thome, Johannes

    2013-12-30

    In patients with attention deficit hyperactivity disorder (ADHD), quantitative neuroimaging techniques have revealed abnormalities in various brain regions, including the frontal cortex, striatum, cerebellum, and occipital cortex. Nonlinear signal processing techniques such as sample entropy have been used to probe the regularity of brain magnetoencephalography signals in patients with ADHD. In the present study, we extend this technique to analyse the complex output patterns of the 4 dimensional resting state functional magnetic resonance imaging signals in adult patients with ADHD. After adjusting for the effect of age, we found whole brain entropy differences (P=0.002) between groups and negative correlation (r=-0.45) between symptom scores and mean whole brain entropy values, indicating lower complexity in patients. In the regional analysis, patients showed reduced entropy in frontal and occipital regions bilaterally and a significant negative correlation between the symptom scores and the entropy maps at a family-wise error corrected cluster level of Pentropy is a useful tool in revealing abnormalities in the brain dynamics of patients with psychiatric disorders. © 2013 Elsevier Ireland Ltd. All rights reserved.

  11. Crystallizing Vanadium Pentoxide Nanostructures in the Solid-State Using Modified Block Copolymer and Chitosan Complexes

    Directory of Open Access Journals (Sweden)

    C. Diaz

    2015-01-01

    Full Text Available A systematic study of the synthesis of V2O5 nanostructured materials using macromolecular PS-co-4-PVP·(VCl3y and chitosan·(VCl3y complexes is presented. It is demonstrated that various coordination degrees of the metal into the polymeric chain specifically influence the product formation after pyrolysis. PS-co-4-PVP·(VCl3y and chitosan·(VCl3y complexes were prepared by simple coordination reaction of VCl3 with the respective polymer in molar ratios 1 : 1, 1 : 5, and 1 : 10 metal/polymer and characterized by elemental analysis, IR spectroscopy, and TGA/DSC analysis. Solid-state thermolysis of these precursors at several temperatures under air results in nanostructured V2O5 using all precursors. The size and shape of the nanostructured V2O5 depend on the nature of the polymer. For the chitosan·(VCl3y precursors sub-10 nm nanocrystals are formed. The calcination process, involved in the preparation method, produces V2O5 with photoluminescence in the visible light region, suggesting the possible application in oxygen sensing devices.

  12. Mechanics of metal-catecholate complexes: The roles of coordination state and metal types

    Science.gov (United States)

    Xu, Zhiping

    2013-01-01

    There have been growing evidences for the critical roles of metal-coordination complexes in defining structural and mechanical properties of unmineralized biological materials, including hardness, toughness, and abrasion resistance. Their dynamic (e.g. pH-responsive, self-healable, reversible) properties inspire promising applications of synthetic materials following this concept. However, mechanics of these coordination crosslinks, which lays the ground for predictive and rational material design, has not yet been well addressed. Here we present a first-principles study of representative coordination complexes between metals and catechols. The results show that these crosslinks offer stiffness and strength near a covalent bond, which strongly depend on the coordination state and type of metals. This dependence is discussed by analyzing the nature of bonding between metals and catechols. The responsive mechanics of metal-coordination is further mapped from the single-molecule level to a networked material. The results presented here provide fundamental understanding and principles for material selection in metal-coordination-based applications. PMID:24107799

  13. Effects of enzyme complex SSF (solid state fermentation in pellet diets for Nile tilapia

    Directory of Open Access Journals (Sweden)

    Guilherme de Souza Moura

    2012-10-01

    Full Text Available The effects of enzyme complex SSF (solid state fermentation on growth performance and the availability of sucrose and monosaccharides in the chyme of Nile were involved. The study included 360 fish (70g±4.43 in a completely randomized design with six dietary treatments (0, 50, 100, 150, 200 and 250 ppm of SSF arranged in six replicates, with 10 fish per replicate. Every 15 days, one tilapia of each experimental unit was sacrificed for analyses of carbohydrate in the chyme. On day 60 of the experiment, the performance parameters were measured. There was a linear effect according to treatment for final weight and weight gain. For the other performance parameters, there were no differences. There was quadratic effect for sucrose and glucose in function of the treatment, whereas the fructose levels increased linearly. The addition of 150 ppm of the enzyme complex SSF in the feed improves the performance of Nile tilapia and increases the availability of sucrose and monosaccharides in the chyme.

  14. Hyperspectral clustering and unmixing for studying the ecology of state formation and complex societies

    Science.gov (United States)

    Kwong, Justin D.; Messinger, David W.; Middleton, William D.

    2009-08-01

    This project is an application of hyperspectral classification and unmixing in support of an ongoing archaeological study. The study region is the Oaxaca Valley located in the state of Oaxaca, Mexico on the southern coast. This was the birthplace of the Zapotec civilization which grew into a complex state level society. Hyperion imagery is being collected over a 30,000 km2 area. Classification maps of regions of interest are generated using K-means clustering and a novel algorithm called Gradient Flow. Gradient Flow departs from conventional stochastic or deterministic approaches, using graph theory to cluster spectral data. Spectral unmixing is conducted using the RIT developed algorithm Max-D to automatically find end members. Stepwise unmixing is performed to better model the data using the end members found be Max-D. Data are efficiently shared between imaging scientists and archaeologists using Google Earth to stream images over the internet rather than downloading them. The overall goal of the project is to provide archaeologists with useful information maps without having to interpret the raw data.

  15. Constructing Markov State Models to elucidate the functional conformational changes of complex biomolecules

    KAUST Repository

    Wang, Wei

    2017-10-06

    The function of complex biomolecular machines relies heavily on their conformational changes. Investigating these functional conformational changes is therefore essential for understanding the corresponding biological processes and promoting bioengineering applications and rational drug design. Constructing Markov State Models (MSMs) based on large-scale molecular dynamics simulations has emerged as a powerful approach to model functional conformational changes of the biomolecular system with sufficient resolution in both time and space. However, the rapid development of theory and algorithms for constructing MSMs has made it difficult for nonexperts to understand and apply the MSM framework, necessitating a comprehensive guidance toward its theory and practical usage. In this study, we introduce the MSM theory of conformational dynamics based on the projection operator scheme. We further propose a general protocol of constructing MSM to investigate functional conformational changes, which integrates the state-of-the-art techniques for building and optimizing initial pathways, performing adaptive sampling and constructing MSMs. We anticipate this protocol to be widely applied and useful in guiding nonexperts to study the functional conformational changes of large biomolecular systems via the MSM framework. We also discuss the current limitations of MSMs and some alternative methods to alleviate them.

  16. Model describing the effect of employment of the United States military in a complex emergency.

    Science.gov (United States)

    MacMillan, Donald S

    2005-01-01

    The end of the Cold War vastly altered the worldwide political landscape. With the loss of a main competitor, the United States (US) military has had to adapt its strategic, operational, and tactical doctrines to an ever-increasing variety of non-traditional missions, including humanitarian operations. Complex emergencies (CEs) are defined in this paper from a political and military perspective, various factors that contribute to their development are described, and issues resulting from the employment of US military forces are discussed. A model was developed to illustrate the course of a humanitarian emergency and the potential impact of a military response. The US intervention in Haiti, Northern Iraq, Kosovo, Somalia, Bosnia, and Rwanda serve as examples. A CE develops when there is civil conflict, loss of national governmental authority, a mass population movement, and massive economic failure, each leading to a general decline in food security. The military can alleviate a CE in four ways: (1) provide security for relief efforts; (2) enforce negotiated settlements; (3) provide security for non-combatants; and/or (4) employ logistical capabilities. The model incorporates Norton and Miskel's taxonomy of identifying failing states and helps illustrate the factors that lead to a CE. The model can be used to determine if and when military intervention will have the greatest impact. The model demonstrates that early military intervention and mission assignment within the core competencies of the forces can reverse the course of a CE. Further study will be needed to verify the model.

  17. Complex-network description of thermal quantum states in the Ising spin chain

    Science.gov (United States)

    Sundar, Bhuvanesh; Valdez, Marc Andrew; Carr, Lincoln D.; Hazzard, Kaden R. A.

    2018-05-01

    We use network analysis to describe and characterize an archetypal quantum system—an Ising spin chain in a transverse magnetic field. We analyze weighted networks for this quantum system, with link weights given by various measures of spin-spin correlations such as the von Neumann and Rényi mutual information, concurrence, and negativity. We analytically calculate the spin-spin correlations in the system at an arbitrary temperature by mapping the Ising spin chain to fermions, as well as numerically calculate the correlations in the ground state using matrix product state methods, and then analyze the resulting networks using a variety of network measures. We demonstrate that the network measures show some traits of complex networks already in this spin chain, arguably the simplest quantum many-body system. The network measures give insight into the phase diagram not easily captured by more typical quantities, such as the order parameter or correlation length. For example, the network structure varies with transverse field and temperature, and the structure in the quantum critical fan is different from the ordered and disordered phases.

  18. Disrupting neural activity related to awake-state sharp wave-ripple complexes prevents hippocampal learning.

    Science.gov (United States)

    Nokia, Miriam S; Mikkonen, Jarno E; Penttonen, Markku; Wikgren, Jan

    2012-01-01

    Oscillations in hippocampal local-field potentials (LFPs) reflect the crucial involvement of the hippocampus in memory trace formation: theta (4-8 Hz) oscillations and ripples (~200 Hz) occurring during sharp waves are thought to mediate encoding and consolidation, respectively. During sharp wave-ripple complexes (SPW-Rs), hippocampal cell firing closely follows the pattern that took place during the initial experience, most likely reflecting replay of that event. Disrupting hippocampal ripples using electrical stimulation either during training in awake animals or during sleep after training retards spatial learning. Here, adult rabbits were trained in trace eyeblink conditioning, a hippocampus-dependent associative learning task. A bright light was presented to the animals during the inter-trial interval (ITI), when awake, either during SPW-Rs or irrespective of their neural state. Learning was particularly poor when the light was presented following SPW-Rs. While the light did not disrupt the ripple itself, it elicited a theta-band oscillation, a state that does not usually coincide with SPW-Rs. Thus, it seems that consolidation depends on neuronal activity within and beyond the hippocampus taking place immediately after, but by no means limited to, hippocampal SPW-Rs.

  19. Chromium(0), molybdenum(0), and tungsten(0) isocyanide complexes as luminophores and photosensitizers with long-lived excited states

    International Nuclear Information System (INIS)

    Bueldt, Laura A.; Wenger, Oliver S.

    2017-01-01

    Arylisocyanide complexes based on earth-abundant Group 6 d 6 metals are interesting alternatives to photoactive complexes made from precious metals such as Ru II , Re I , Os II , or Ir III . Some of these complexes have long-lived 3 MLCT excited states that exhibit luminescence with good quantum yields as well as nano- to microsecond lifetimes, and they are very strongly reducing. Recent studies have demonstrated that Cr 0 , Mo 0 , and W 0 arylisocyanide complexes have great potential for applications in luminescent devices, photoredox catalysis, and dye-sensitized solar cells. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  20. Study of nonequilibrium steady state of Fe(II) complex salt by means of synchrotron-radiation x-ray

    CERN Document Server

    Moritomo, Y

    2003-01-01

    In this article, we introduce our recent investigation at SPring-8/BL02B2 on the nonequilibrium steady state of photoexcited spin-crossover salts, which consists of Fe sup 2 sup + complexes and counter cations. The Fe sup 2 sup + complex takes two states; one is the low-spin state (S=0) and the other is the high-spin state (S=2). The photoexcitation can convert the low-spin site into the high-spin state, and hence, a finite the high-spin site is excited balancing with the thermal relaxation process. When the excitation power exceeds a critical value, we observe a dynamical phase transition into the high-spin condensed state.

  1. Psychiatric evaluation of intellectually disabled offenders referred to the Free State Psychiatric Complex, 1993-2003

    Directory of Open Access Journals (Sweden)

    F J W Calitz

    2007-12-01

    Full Text Available Background. Increased crime is a problem in South Africaand complications arise when the accused is intellectuallydisabled. The accountability and fitness to stand trial ofsuch individuals is an important facet that needs to bemanaged by the judicial and health systems.Objective. To analyse the accountability and triability ofintellectually disabled people awaiting trial referred tothe Free State Psychiatric Complex (FSPC from 1993 to2003 according to Sections 77 and 78 of the CriminalProcedures Act (Act 51 of 1977.Method. A retrospective study was conducted. The studypopulation consisted of 80 intellectually disabled peopleawaiting trial in the Free State, referred to the FSPC. Thereason for referral was the possibility that they were nottriable or accountable. A data form was compiled totransfer the relevant information from the patients’ clinicalfiles.Results. The study found that the majority of subjectswere male (96.3%, unmarried (76.3% and unemployed(63.8%. The median age was 27 years. A relativelyhigh percentage (49% had received some schoolingand 16% had attended a special school. Most (32%were referred from the Bloemfontein area and 68% werereferred from the remainder of the Free State and otherareas. The majority were referred according to Sections77 and 78. The highest number of the offences were ofa sexual nature (78%. Of the subjects, 62 (62.5% werediagnosed as having mild mental retardation, while 16%were diagnosed as having moderate mental retardation.A total of 71 (71.25% were found to be untriable andunaccountable.Conclusion. Triability and accountability are not onlyreflected by IQ score, but also involve the accused’sunderstanding of his/her environment, his/her speechand language proficiency, level of education, reasoningability and the manner in which the crime was committed.It is important to note that having an IQ of 70 or less doesnot automatically mean that the accused is unfit to standtrial or is not accountable. It

  2. Calculation of Vibrational and Electronic Excited-State Absorption Spectra of Arsenic-Water Complexes Using Density Functional Theory

    Science.gov (United States)

    2016-06-03

    Naval Research Laboratory Washington, DC 20375-5320 NRL/MR/6390--16-9681 Calculation of Vibrational and Electronic Excited -State Absorption Spectra...NUMBER OF PAGES 17. LIMITATION OF ABSTRACT Calculation of Vibrational and Electronic Excited -State Absorption Spectra of Arsenic-Water Complexes Using...Unclassified Unlimited Unclassified Unlimited 59 Samuel G. Lambrakos (202) 767-2601 Calculations are presented of vibrational and electronic excited -state

  3. Stated Choice Experiments with Complex Ecosystem Changes: The Effect of Information Formats on Estimated Variances and Choice Parameters

    OpenAIRE

    Hoehn, John P.; Lupi, Frank; Kaplowitz, Michael D.

    2010-01-01

    Stated choice experiments about ecosystem changes involve complex information. This study examines whether the format in which ecosystem information is presented to respondents affects stated choice outcomes. Our analysis develops a utility-maximizing model to describe respondent behavior. The model shows how alternative questionnaire formats alter respondents’ use of filtering heuristics and result in differences in preference estimates. Empirical results from a large-scale stated choice e...

  4. Effects of ligand substitution on the excited state dynamics of the Ru(dcbpy)(CO) 2I 2 complex

    Science.gov (United States)

    Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkiö, Pasi; Haukka, Matti; Korppi-Tommola, Jouko

    2003-11-01

    Spectroscopic evidence suggest [PCCP 3 (2001) 1992] that illumination with visible light of the [ trans-I-Ru(dcbpy)(CO) 2I 2] (dcbpy= 4,4 '-dicarboxy-2,2 '-bipyridine) complex in solution induces dissociation of a CO group followed by reorganization of the ligands and attachment of a solvent molecule. In the present study, we report results on excited state dynamics of this ruthenium complex and its photoproduct. Femtosecond transient absorption measurements reveal dominance of excited state absorption of the reactant and the photoproduct [ cis-I-Ru(dcbpy)(CO)(Sol)I 2] (Sol=ethanol or acetonitrile) in the visible spectral region. The time-resolved measurements for the reactant at 77 K indicate interligand charge transfer from mixed Ru-I states to empty dcbpy orbitals. For the photoproduct, no such transfer was observed. In both complexes recovery from the lowest energy excited triplet state to the ground state occurs via two channels: radiative relaxation and a parallel barrier controlled non-radiative relaxation. The barrier is much higher in the reactant (about 850 cm -1) than in the product. A combination of DFT and ZINDO/CI calculations was used to estimate excited singlet and triplet spectra of the reactant and the product molecules. Calculated singlet-triplet difference spectra qualitatively match the observed transient spectra 500 fs after excitation supporting the idea that observed excited state relaxation occurs from the triplet states in both complexes.

  5. Effects of ligand substitution on the excited state dynamics of the Ru(dcbpy)(CO)2I2 complex

    International Nuclear Information System (INIS)

    Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkioe, Pasi; Haukka, Matti; Korppi-Tommola, Jouko

    2003-01-01

    Spectroscopic evidence suggest [PCCP 3 (2001) 1992] that illumination with visible light of the [trans-I-Ru(dcbpy)(CO) 2 I 2 ] (dcbpy4,4 ' -dicarboxy-2,2 ' -bipyridine) complex in solution induces dissociation of a CO group followed by reorganization of the ligands and attachment of a solvent molecule. In the present study, we report results on excited state dynamics of this ruthenium complex and its photoproduct. Femtosecond transient absorption measurements reveal dominance of excited state absorption of the reactant and the photoproduct [cis-I-Ru(dcbpy)(CO)(Sol)I 2 ] (Sol=ethanol or acetonitrile) in the visible spectral region. The time-resolved measurements for the reactant at 77 K indicate interligand charge transfer from mixed Ru-I states to empty dcbpy orbitals. For the photoproduct, no such transfer was observed. In both complexes recovery from the lowest energy excited triplet state to the ground state occurs via two channels: radiative relaxation and a parallel barrier controlled non-radiative relaxation. The barrier is much higher in the reactant (about 850 cm -1 ) than in the product. A combination of DFT and ZINDO/CI calculations was used to estimate excited singlet and triplet spectra of the reactant and the product molecules. Calculated singlet-triplet difference spectra qualitatively match the observed transient spectra 500 fs after excitation supporting the idea that observed excited state relaxation occurs from the triplet states in both complexes

  6. A novel method of complex evaluation of meibomian glands morphological and functional state

    Directory of Open Access Journals (Sweden)

    V. N. Trubilin

    2014-01-01

    Full Text Available A novel method that provides complex assessment of meibomian glands morphological and functional state — biometry of meibomian glands — was developed. The results of complex examination (including meibomian glands biometry, correlation analysis data and clinical findings demonstrate direct association between the objective (i.e., meibomian glands dysfunction by biomicroscopy, tear film break-up time / TBUT, symptomatic TBUT, compression testing and subjective signs of meibomian glands dysfunction (patient’s complaints and the parameters of meibomian glands biometry. High direct correlation between biometrical index and compression test result was revealed (p = 0.002, Spearman’s rank correlation coefficient = 0.6644. Meibomian glands dysfunction is characterized by biometric parameters abnormalities, i.e., dilatation of meibomian glands orifices, decrease of distance between meibomian glands orifices, partial or total atrophy of meibomian glands (even up to gland collapse with its visual reduction and increase of distance between the glands. The suppression of inflammatory process and the recovery of meibomian glands secretion improve biometric parameters and result in the opening of meibomian glands orifices, liquefaction of clogs, evacuation of meibomian glands secretion, narrowing of meibomian glands orifices and increase of distance between them. The proposed method expands the armamentarium of meibomian glands dysfunction and lipid-deficient dry eye diagnosing. Meibomian glands biometry can be applied in specialized ophthalmological hospitals and outpatient departments. It is a simple procedure of short duration that does not require any special equipment or professional skills. Meibomian glands biometry enables to prescribe pathogenically targeted therapy and to improve quality of life. 

  7. FLOODPLAIN-CHANNEL COMPLEX OF SMALL RIVER: ASSESSMENT OF CURRENT STATE, OPTIMIZATION MEASURES

    Directory of Open Access Journals (Sweden)

    Kovalchuk I.

    2016-05-01

    Full Text Available The article describes main methodological principles of geoecological assessment of riverbed-floodplain complex condition of one of the small rivers in Ukrainian Carpathians. According to our long-term field, cartographic, laboratory and remote sensing research, division of riverbed into homogeneous geoecological segments was made, as well as their standardization in accordance to the trends of unfavorable processes. Main reasons for deterioration of quality characteristics of channel-floodplain river complex were outlined; the role of natural and anthropogenic factors in deterioration of geoecological condition of the river and its floodplain complex was analyzed. Based on the assessment results it is possible to state that the condition of study segments of the Berezhnytsya river flood-plain and stream-way complex was marked as “excellent”, “good” and “satisfactory”. “Unsatisfactory” and “catastrophic” river and flood-plain condition has not been detected yet, although within Dashava urban settlement the river area condition is close to the “satisfactory” grade. The best situation is at the river head as human impact is minimized here and natural vegetation is preserved. Downstream we trace the tendency of condition worsening as anthropogenic load on the basin system and flood-plain and stream-way complex increases. Its negative impact is balanced by large forests, thus in segments limited by Banya Lysovytska village and Lotatnyky village the river and flood-plain condition is rated as “good”. So, downstream from the named village the value of such an important natural barrier as forest is reducing and anthropogenic load on the river significantly increases. The latter manifests in an intensive agricultural reclamation and housing development of flood-plains. Since degradation processes are rapidly developing over a considerable part of the Berezhnytsya river, negative changes are visible and only the study area

  8. WNT Stimulation Dissociates a Frizzled 4 Inactive-State Complex with Gα12/13.

    Science.gov (United States)

    Arthofer, Elisa; Hot, Belma; Petersen, Julian; Strakova, Katerina; Jäger, Stefan; Grundmann, Manuel; Kostenis, Evi; Gutkind, J Silvio; Schulte, Gunnar

    2016-10-01

    Frizzleds (FZDs) are unconventional G protein-coupled receptors that belong to the class Frizzled. They are bound and activated by the Wingless/Int-1 lipoglycoprotein (WNT) family of secreted lipoglycoproteins. To date, mechanisms of signal initiation and FZD-G protein coupling remain poorly understood. Previously, we showed that FZD6 assembles with Gαi1/Gαq (but not with Gαs, Gαo and Ga12/13), and that these inactive-state complexes are dissociated by WNTs and regulated by the phosphoprotein Dishevelled (DVL). Here, we investigated the inactive-state assembly of heterotrimeric G proteins with FZD4, a receptor important in retinal vascular development and frequently mutated in Norrie disease or familial exudative vitreoretinopathy. Live-cell imaging experiments using fluorescence recovery after photobleaching show that human FZD4 assembles-in a DVL-independent manner-with Gα12/13 but not representatives of other heterotrimeric G protein subfamilies, such as Gαi1, Gαo, Gαs, and Gαq The FZD4-G protein complex dissociates upon stimulation with WNT-3A, WNT-5A, WNT-7A, and WNT-10B. In addition, WNT-induced dynamic mass redistribution changes in untransfected and, even more so, in FZD4 green fluorescent protein-transfected cells depend on Gα12/13 Furthermore, expression of FZD4 and Gα12 or Gα13 in human embryonic kidney 293 cells induces WNT-dependent membrane recruitment of p115-RHOGEF (RHO guanine nucleotide exchange factor, molecular weight 115 kDa), a direct target of Gα12/13 signaling, underlining the functionality of an FZD4-Gα12/13-RHO signaling axis. In summary, Gα12/13-mediated WNT/FZD4 signaling through p115-RHOGEF offers an intriguing and previously unappreciated mechanistic link of FZD4 signaling to cytoskeletal rearrangements and RHO signaling with implications for the regulation of angiogenesis during embryonic and tumor development. Copyright © 2016 by The American Society for Pharmacology and Experimental Therapeutics.

  9. Occurrence and identification of the etiologic agents of plant diseases in cactus (Opuntia ficus-indica Mill. in the semi-arid region of Paraiba

    Directory of Open Access Journals (Sweden)

    Anne Evelyne Franco de Souza

    2010-01-01

    Full Text Available Cactus forage (Opuntia ficus-indica Mill., intensely cultivated in dry regions of northeast Brazil, although well adapted to the harsh semi-arid climate is affected by major problems such as pests and diseases, responsible for significant losses in production. This study aimed to investigate the occurrence and diversity of the etiologic agents of diseases of cactus cultivated in 38 municipalities in the semi-arid region of Paraiba. The analyses were conducted and processed at the Laboratory of Phytopathology of the Centro de Ciências Agrárias da Universidade Federal da Paraíba, in Areia - PB. Starting from sick cladodes isolations, multiplications and identifications of the found microorganisms were made. The identification of the microorganisms was achieved through observations of the macro and micromorphological characteristics of the cultures and tests of Gram and pathogenicity. Great incidence and diversity of microorganisms was verified in the cacti researched, but the highest occurrence was mainly that of fungus. The fungi of widest occurrence were: Scytallidium lignicola, Alternate tenuis, Macrophomina phaseolina, Cladosporium cladosporides, Lasiodiplodia theobromae, Fusarium oxysporum f. sp. opuntiarum, Curvularia lunata, Aspergillus niger, Nigrospora sphaerica, Colletotrichum gloeosporioides, Exserohilum turcicum, Pestalotia pitospora, Rhizopus stolonifer, Rhizoctonia solani and Sphaceloma protearum. A bacterium was also detected that was suspected to belong to the Erwinia sp. strain. Satisfaction of the Postulates of Koch proved the infectious nature of the detected microorganisms. High occurrence of the fungus S. lignicola, an agent of scale rot disease in 100% of the places researched, was observed. This fact is of great concern, since the progression of the disease can cause significant losses in production.

  10. INVESTMENT ACTIVITY OF AGRIBUSINESS IN THE AGROINDUSTRIAL COMPLEX REGION, AS ONE OF THE ELEMENTS OF THE FINANCIAL SECURITY OF THE AGRO-INDUSTRIAL COMPLEX OF THE STATE

    Directory of Open Access Journals (Sweden)

    Olga Nikolaevna Uglitskikh

    2015-09-01

    Full Text Available The developed economic-political situation around of Russia, specifies an indispensability of support of agricultural commodity producers as from their financial well-being, investment activity the financial security of agrarian and industrial complex of the state depends. Limitation of own financial resources at agrarians does not allow them to realize independently conceived projects. Studying of questions of formation and functioning of investment activity in agriculture of Stavropol Territory and an assessment of investment projects offered to reali-zation, have allowed to analyse investment activity of agrarian and industrial complex of region up to the introduction of Russia into WTO and in conditions of its membership. By results of the lead assessment the administrative areas of region showing the greatest investment activity, threats of a financial security of agrarian and industrial complex of region not putting by the activity have been revealed. It is drawn a conclusion on influence West-American sanctions on financial without-danger agra-rian and industrial complex of the state and the responsibility сельхозтоваропроизводителей about delivery of agricultural production in necessary volume and import substitution.

  11. [Triatoma vandae sp.n. of the oliveirai complex from the State of Mato Grosso, Brazil (Hemiptera: Reduviidae: Triatominae)].

    Science.gov (United States)

    Carcavallo, Rodolfo U; Jurberg, José; Rocha, Dayse da Silva; Galvao, Cleber; Noireau, François; Lent, Herman

    2002-07-01

    There are several specific complexes belonging to the genus Triatoma Laporte, 1832, which are generally associated to specific geographic areas. Recent publications have linked the oliveirai complex to ecosystems of Mato Grosso, which are also present in other Brazilian states and even in other bordering countries as eastern Paraguay. The study of the abundant material collected during the last years allowed the description of several new species of the oliveirai complex: T. jurbergi Carcavallo, Galvão Lent, 1998; T. baratai Carcavallo Jurberg, 2000 and T. klugi Carcavallo, Jurberg, Lent Galvão, 2001. Another new species belonging to the same complex is described here as T. vandae sp.n. It originates from the state of Mato Grosso, and has been reared in the insectary of the Laboratório Nacional e Internacional de Referência em Taxonomia de Triatomíneos, Departamento de Entomologia, Instituto Oswaldo Cruz-Fiocruz, Rio de Janeiro.

  12. Natural radionuclides in the Brazilian coast region: 1. Estuarine complex Cananeia-Iguape, Sao Paulo State

    Energy Technology Data Exchange (ETDEWEB)

    Franca, E.J. de; Ferreira, Fabiano S.; Silva Neto, Paulo C.; Farias, Emerson E.G. de; Figueira, Rubens C.L.; Ribeiro, Andreza P., E-mail: ejfranca@cnen.gov.br, E-mail: biologofabiano10@gmail.com, E-mail: ptpoli@yahoo.com.br, E-mail: emersonemiliano@yahoo.com.br [Centro Regional de Ciencias Nucleares do Nordeste (CRCN-NE/CNEN-PE), Recife, PE (Brazil)

    2015-07-01

    Mangrove forests are of utmost important ecosystems for biogeochemical transport processes in a global scale because of the preferential transport via sediments and organic matter from continents to oceans. Such ecosystems are the richest biodiversity areas, in which bioaccumulation of chemical substances can be expected for some species, in this case, there is a lack of knowledge of natural radionuclides accumulation in mangrove vegetation. This work encompasses the first results obtained for the Estuarine Complex Cananeia-Iguape, a peculiar coast area of the Sao Paulo State, Brazil. In 2011, leaf samples of Rhyzophora mangle and Laguncularia racemosa trees with perimeter at the breast height higher than 15 cm were collected in the conservation unit Parque Estadual Ilha do Cardoso. Sample preparation consisted of leaf washing, oven-drying, milling in porcelain mortar at the particle size lower than 0.5 mm. Portions of 10 g were transferred to polyethylene vials of appropriate geometry for the analysis by high resolution gamma-ray spectrometry. Reference materials were analyzed together to evaluate the quality of the analytical procedure. K-40 was preferentially allocated in leaves. Some accumulation in leaves was noticed for Pb-210 and Ac-228 depending on the species, indicating differences of radionuclide distribution in the mangrove vegetation. (author)

  13. STATE OF THE ART TECHNIQUES USED FOR NOISE SOURCE IDENTIFICATION ON COMPLEX BODIES

    Directory of Open Access Journals (Sweden)

    Corneliu STOICA

    2010-03-01

    Full Text Available Over the last few decades, many approaches have been undertaken in order to asses detailed noise source identification on complex bodies, i.e. aircrafts, cars, machinery. Noise source identification implies to accurately obtain the position and frequency of the dominant noise sources. There are cases where traditional testing methods can not be applied at all or their use involves some limitations. Optical systems used for near field analysis require a line of sight that may not be available. The state-of-the-art technology for this purpose is the use of a large number of microphones whose signals are acquired simultaneously, i.e. microphone phased array. Due to the excessive cost of the instruments and the data acquisition system required, the implementation of this technology was restricted to governmental agencies (NASA, DLR and big companies such as Boeing and Airbus. During the past years, this technique was developed in wind tunnels and some universities to perform noise source identification on scale airframes, main landing gear models, and aerodynamic profiles (used on airplanes, helicopter rotors and wind mills.

  14. Decamethylytterbocene Complexes of Bipyridines and Diazabutadienes: Multiconfigurational Ground States and Open-Shell Singlet Formation

    Energy Technology Data Exchange (ETDEWEB)

    Booth, Corwin H.; Walter, Marc D.; Kazhdan, Daniel; Hu, Yung-Jin; Lukens, Wayne W.; Bauer, Eric D.; Maron, Laurent; Eisenstein, Odile; Andersen, Richard A.

    2009-04-22

    Partial ytterbium f-orbital occupancy (i.e., intermediate valence) and open-shell singlet formation are established for a variety of bipyridine and diazabutadiene adducts with decamethylytterbocene, (C5Me5)2Yb, abbreviated as Cp*2Yb. Data used to support this claim include ytterbium valence measurements using Yb LIII-edge X-ray absorption near-edge structure spectroscopy, magnetic susceptibility, and complete active space self-consistent field (CASSCF) multiconfigurational calculations, as well as structural measurements compared to density functional theory calculations. The CASSCF calculations indicate that the intermediate valence is the result of a multiconfigurational ground-state wave function that has both an open-shell singlet f13(?*)1, where pi* is the lowest unoccupied molecular orbital of the bipyridine or dpiazabutadiene ligands, and a closed-shell singlet f14 component. A number of other competing theories for the unusual magnetism in these materials are ruled out by the lack of temperature dependence of the measured intermediate valence. These results have implications for understanding chemical bonding not only in organolanthanide complexes but also for f-element chemistry in general, as well as understanding magnetic interactions in nanoparticles and devices.

  15. Decamethylytterbocene complexes of bipyridines and diazabutadines: multiconfigurational ground states and open-shell singlet formation

    Energy Technology Data Exchange (ETDEWEB)

    Bauer, Eric D [Los Alamos National Laboratory; Booth, C H [LBNL; Walter, M D [LBNL; Kazhdan, D [LBNL; Hu, Y - J [LBNL; Lukens, Wayne [LBNL; Maron, Laurent [INSA TOULOUSE; Eisentein, Odile [UNIV MONTPELLIER 2; Anderson, Richard [LBNL

    2009-01-01

    Partial ytterbium f-orbital occupancy (i.e. intermediate valence) and open-shell singlet Draft 12/formation are established for a variety of bipyridine and diazabutadiene adducts to decamethylytterbocene, (C{sub 5}Me{sub 5}){sub 2}Yb or Cp*{sub 2}Yb. Data used to support this claim includes ytterbium valence measurements using Yb Lm-edge x-ray absorption near-edge structure (XANES) spectroscopy, magnetic susceptibility and Complete Active Space Self-Consistent Field (CASSCF) multi configurational calculations, as well as structural measurements compared to density-functional theory (DFT) calculations. The CASSCF calculations indicate that the intermediate valence is the result of a multiconfigurational ground state wave function that has both an open-shell singlet f{sup 13} and a closed-shell singlet f{sup 14} component. A number of other competing theories for the unusual magnetism in these materials are ruled out by the presence of intermediate valence and its lack of any significant temperature dependence. These results have implications for understanding chemical bonding not only in organolanthanide complexes, but also for organometallic chemistry in general, as well as understanding magnetic interactions in nanopartic1es and devices.

  16. Natural radionuclides in the Brazilian coast region: 1. Estuarine complex Cananeia-Iguape, Sao Paulo State

    International Nuclear Information System (INIS)

    Franca, E.J. de; Ferreira, Fabiano S.; Silva Neto, Paulo C.; Farias, Emerson E.G. de; Figueira, Rubens C.L.; Ribeiro, Andreza P.

    2015-01-01

    Mangrove forests are of utmost important ecosystems for biogeochemical transport processes in a global scale because of the preferential transport via sediments and organic matter from continents to oceans. Such ecosystems are the richest biodiversity areas, in which bioaccumulation of chemical substances can be expected for some species, in this case, there is a lack of knowledge of natural radionuclides accumulation in mangrove vegetation. This work encompasses the first results obtained for the Estuarine Complex Cananeia-Iguape, a peculiar coast area of the Sao Paulo State, Brazil. In 2011, leaf samples of Rhyzophora mangle and Laguncularia racemosa trees with perimeter at the breast height higher than 15 cm were collected in the conservation unit Parque Estadual Ilha do Cardoso. Sample preparation consisted of leaf washing, oven-drying, milling in porcelain mortar at the particle size lower than 0.5 mm. Portions of 10 g were transferred to polyethylene vials of appropriate geometry for the analysis by high resolution gamma-ray spectrometry. Reference materials were analyzed together to evaluate the quality of the analytical procedure. K-40 was preferentially allocated in leaves. Some accumulation in leaves was noticed for Pb-210 and Ac-228 depending on the species, indicating differences of radionuclide distribution in the mangrove vegetation. (author)

  17. On the role of the ground state Tb(3)/acetylacetone complex in sensitized emission of Tb(3) in ethanol solution

    International Nuclear Information System (INIS)

    Lis, S.; Elbanowski, M.; Marciniak, B.

    1989-01-01

    The Tb(3)-acetylacetone system in ethanol solution has been studied by spectroscopic methods. The formation of a Tb(3)/acetylacetone (1:1) complex in the ground state has been proved and its stability constant determined, K = (0,97 ± 0,06).10 4 dm 3 mol -1 . The role of this complex in the spectrofluorimetric determination of Ln(3) ions in the presence of acetylacetone has been discussed. (Authors)

  18. Effects of excited state mixing on transient absorption spectra in dimers Application to photosynthetic light-harvesting complex II

    CERN Document Server

    Valkunas, L; Trinkunas, G; Müller, M G; Holzwarth, A R

    1999-01-01

    The excited state mixing effect is taken into account considering the difference spectra of dimers. Both the degenerate (homo) dimer as well as the nondegenerate (hetero) dimer are considered. Due to the higher excited state mixing with the two-exciton states in the homodimer, the excited state absorption (or the difference spectrum) can be strongly affected in comparison with the results obtained in the Heitler-London approximation. The difference spectrum of the heterodimer is influenced by two resonance effects (i) mixing of the ground state optical transitions of both monomers in the dimer and (ii) mixing of the excited state absorption of the excited monomer with the ground state optical transition in the nonexcited monomer. These effects have been tested by simulating the difference absorption spectra of the light-harvesting complex of photosystem II (LHC II) experimentally obtained with the 60 fs excitation pulses at zero delay times and various excitation wavelengths. The pairs of coupled chlorophylls...

  19. Coherent states of the real symplectic group in a complex analytic parametrization. I. Unitary-operator coherent states

    International Nuclear Information System (INIS)

    Quesne, C.

    1986-01-01

    In the present series of papers, the coherent states of Sp(2d,R), corresponding to the positive discrete series irreducible representations 1 +n/2> encountered in physical applications, are analyzed in detail with special emphasis on those of Sp(4,R) and Sp(6,R). The present paper discusses the unitary-operator coherent states, as defined by Klauder, Perelomov, and Gilmore. These states are parametrized by the points of the coset space Sp(2d,R)/H, where H is the stability group of the Sp(2d,R) irreducible representation lowest weight state, chosen as the reference state, and depends upon the relative values of lambda 1 ,...,lambda/sub d/, subject to the conditions lambda 1 > or =lambda 2 > or = x x x > or =lambda/sub d/> or =0. A parametrization of Sp(2d,R)/H corresponding to a factorization of the latter into a product of coset spaces Sp(2d,R)/U(d) and U(d)/H is chosen. The overlap of two coherent states is calculated, the action of the Sp(2d,R) generators on the coherent states is determined, and the explicit form of the unity resolution relation satisfied by the coherent states in the representation space of the irreducible representation is obtained. The Hilbert space of analytic functions arising from the coherent state representation is studied in detail. Finally, some applications of the formalism developed in the present paper are outlined

  20. Spectroscopy of weakly-bound complexes in highly excited electronic states: the He-I2(E3Πg) ion-pair state

    International Nuclear Information System (INIS)

    Prosmiti, Rita; Valdés, Álvaro; Kalemost, Apostolos

    2014-01-01

    The study of electronically excited van der Waals (vdW) systems presents a challenge for the theory of intermolecular interactions, and here we show how far ab initio computations can go. We found that the interaction energies for such electronically excited systems can indeed be determined, providing a reliable and accurate description for the E state potential of the HeI 2 , that in combination with the ground X and electronic excited B state of the complex, is useful to model experimental data related with potential minima and also predict higher vibrational vdW states

  1. Children and adolescents treated for post-traumatic stress disorder at the Free State Psychiatric Complex

    Directory of Open Access Journals (Sweden)

    F J W Calitz

    2014-04-01

    Full Text Available Background. Children and adolescents can develop post-traumatic stress disorder (PTSD after exposure to a range of traumatic events, including domestic, political or community violence, violent crime, physical and sexual abuse, hijacking, witnessing a violent crime and motor vehicle accidents. This is particularly critical given the substantial challenge that PTSD poses to the healthy physical, cognitive and emotional development of children and adolescents. Methods. The clinical records of 1 229 children (age 2 - 11 years and adolescents (age 12 - 18 years treated at the Child Mental Health Unit of the Free State Psychiatric Complex (FSPC were screened for the diagnosis of PTSD and analysed for the purpose of this study. Results. Forty-nine (4.0% of the children and adolescents treated at the unit were diagnosed with PTSD, of whom most were female (63.3%. Approximately 22% of the participants had comorbid major depressive disorder. The main traumatic event in both groups was witnessing the death of a close relative (32.7%, followed by sexual assault (25%, rape (25% and physical attack (10.2%. Associated stressors identified included problems at school (55.1%, isolation (39%, fear or anxiety (37%, problematic family relationships (29%, emotional (27% and physical (23% abuse, and lack of social support (23%. Most of the participants (59.2% received psychotherapy. Conclusions. Children and adolescents referred to the FSPC are also exposed to traumatic events which lead to the development of PTSD. The Free State is a sprawling province with remote areas where specialist services and facilities are limited. It is therefore recommended that preventive programmes, training opportunities and consultation services are implemented to identify and treat children and adolescents with PTSD. Schools with limited access to psychological services and large classrooms, impeding the diagnosis and treatment of PTSD specifically, face similar challenges

  2. Thermal state and complex geology of a heterogeneous salty crust of Jupiter's satellite, Europa

    Science.gov (United States)

    Prieto-Ballesteros, O.; Kargel, J.S.

    2005-01-01

    The complex geology of Europa is evidenced by many tectonic and cryomagmatic resurfacing structures, some of which are "painted" into a more visible expression by exogenic alteration processes acting on the principal endogenic cryopetrology. The surface materials emplaced and affected by this activity are mainly composed of water ice in some areas, but in other places there are other minerals involved. Non-ice minerals are visually recognized by their low albedo and reddish color either when first emplaced or, more likely, after alteration by Europan weathering processes, especially sublimation and alteration by ionizing radiation. While red chromophoric material could be due to endogenic production of solid sulfur allotropes or other compounds, most likely the red substance is an impurity produced by radiation alteration of hydrated sulfate salts or sulphuric acid of mainly internal origin. If the non-ice red materials or their precursors have a source in the satellite interior, and if they are not merely trace contaminants, then they can play an important role in the evolution of the icy crust, including structural differentiation and the internal dynamics. Here we assume that these substances are major components of Europa's cryo/hydrosphere, as some models have predicted they should be. If this is an accurate assumption, then these substances should not be neglected in physical, chemical, and biological models of Europa, even if major uncertainties remain as to the exact identity, abundance, and distribution of the non-ice materials. The physical chemical properties of the ice-associated materials will contribute to the physical state of the crust today and in the geological past. In order to model the influence of them on the thermal state and the geology, we have determined the thermal properties of the hydrated salts. Our new lab data reveal very low thermal conductivities for hydrated salts compared to water ice. Lower conductivities of salty ice would

  3. Topics to study the integrated use of natural gas in the electricity with industrial focus: a methodology for optimizing its use with application in the Vale do Paraiba region (SP-Brazil); Topicos para o estudo da utilizacao integrada do gas natural na eletricidade com enfoque industrial: uma metodologia para otimizacao de seu aproveitamento com aplicacao na regiao do Vale do Paraiba

    Energy Technology Data Exchange (ETDEWEB)

    Paro, Andre C.; Borelli, Samuel J.S. [PROMON Engenharia SA, Sao Paulo, SP (Brazil); Santos, Edmilson M. [Universidade de Sao Paulo (USP), SP (Brazil). Inst. de Eletrotecnica e Energia; Fadigas, Eliane A. [Universidade de Sao Paulo (USP), SP (Brazil). Escola Politecnica

    2004-07-01

    After the recent announcement on the discovery of a large amount of Natural Gas (NG) in the Santos Field by PETROBRAS, use incentive policies for its consumption and consequent growth participation in the national energy matrix gained strength This paper intends to present an efficient use optimization methodology for the NG integrated to Electricity with focus on it's industrial use under the concepts of Integrated Resources Planning (IRP). Thus, the topics about NG utilization in cogeneration plants are analyzed, showing it's utilization on Electric Energy (EE) and Process Heat (Steam) supply. Its contribution to the distributed Electric Energy generation, which brings the installed generation power closer to the consumer centers and mitigates energy transmission losses, are also presented. The IRP concept is applied on the integration between industrial use and other uses of NG and on the detailing of its influence on the electric sector. Finally, a case study is presented, applying the presented methodology for the use of NG in the industry of 'Vale do Paraiba' Region (SP-Brazil), due to its industrial economy condition and easy access to the Brazilian proved reserves geographic condition. (author)

  4. Protein Structural Deformation Induced Lifetime Shortening of Photosynthetic Bacteria Light-Harvesting Complex LH2 Excited State

    OpenAIRE

    Chen, Xing-Hai; Zhang, Lei; Weng, Yu-Xiang; Du, Lu-Chao; Ye, Man-Ping; Yang, Guo-Zhen; Fujii, Ritsuko; Rondonuwu, Ferdy S.; Koyama, Yasushi; Wu, Yi-Shi; Zhang, J. P.

    2005-01-01

    Photosynthetic bacterial light-harvesting antenna complex LH2 was immobilized on the surface of TiO2 nanoparticles in the colloidal solution. The LH2/TiO2 assembly was investigated by the time-resolved spectroscopic methods. The excited-state lifetimes for carotenoid-containing and carotenoidless LH2 have been measured, showing a decrease in the excited-state lifetime of B850 when LH2 was immobilized on TiO2. The possibility that the decrease of the LH2 excited-state lifetime being caused by ...

  5. Decoding Complex Cognitive States Online by Manifold Regularization in Real-Time fMRI

    DEFF Research Database (Denmark)

    Hansen, Toke Jansen; Hansen, Lars Kai; Madsen, Kristoffer Hougaard

    2011-01-01

    Human decision making is complex and influenced by many factors on multiple time scales, reflected in the numerous brain networks and connectivity patterns involved as revealed by fMRI. We address mislabeling issues in paradigms involving complex cognition, by considering a manifold regularizing...

  6. Chromium(0), molybdenum(0), and tungsten(0) isocyanide complexes as luminophores and photosensitizers with long-lived excited states

    Energy Technology Data Exchange (ETDEWEB)

    Bueldt, Laura A. [Institute of Inorganic Chemistry, University of Tuebingen, Auf der Morgenstelle 18, 72076, Tuebingen (Germany); Wenger, Oliver S. [Department of Chemistry, University of Basel, St. Johanns-Ring 19, 4056, Basel (Switzerland)

    2017-05-15

    Arylisocyanide complexes based on earth-abundant Group 6 d{sup 6} metals are interesting alternatives to photoactive complexes made from precious metals such as Ru{sup II}, Re{sup I}, Os{sup II}, or Ir{sup III}. Some of these complexes have long-lived {sup 3}MLCT excited states that exhibit luminescence with good quantum yields as well as nano- to microsecond lifetimes, and they are very strongly reducing. Recent studies have demonstrated that Cr{sup 0}, Mo{sup 0}, and W{sup 0} arylisocyanide complexes have great potential for applications in luminescent devices, photoredox catalysis, and dye-sensitized solar cells. (copyright 2017 Wiley-VCH Verlag GmbH and Co. KGaA, Weinheim)

  7. Line bundle twisted chiral de Rham complex and bound states of D-branes on toric manifolds

    International Nuclear Information System (INIS)

    Parkhomenko, S.E.

    2014-01-01

    In this note we calculate elliptic genus in various examples of twisted chiral de Rham complex on two-dimensional toric compact manifolds and Calabi–Yau hypersurfaces in toric manifolds. At first the elliptic genus is calculated for the line bundle twisted chiral de Rham complex on a compact smooth toric manifold and K3 hypersurface in P 3 . Then we twist chiral de Rham complex by sheaves localized on positive codimension submanifolds in P 2 and calculate in each case the elliptic genus. In the last example the elliptic genus of chiral de Rham complex on P 2 twisted by SL(N) vector bundle with instanton number k is calculated. In all the cases considered we find the infinite tower of open string oscillator contributions and identify directly the open string boundary conditions of the corresponding bound state of D-branes

  8. Implementation of a complex multi-phase equation of state for cerium and its correlation with experiment

    Energy Technology Data Exchange (ETDEWEB)

    Cherne, Frank J [Los Alamos National Laboratory; Jensen, Brian J [Los Alamos National Laboratory; Elkin, Vyacheslav M [VNIITF

    2009-01-01

    The complexity of cerium combined with its interesting material properties makes it a desirable material to examine dynamically. Characteristics such as the softening of the material before the phase change, low pressure solid-solid phase change, predicted low pressure melt boundary, and the solid-solid critical point add complexity to the construction of its equation of state. Currently, we are incorporating a feedback loop between a theoretical understanding of the material and an experimental understanding. Using a model equation of state for cerium we compare calculated wave profiles with experimental wave profiles for a number of front surface impact (cerium impacting a plated window) experiments. Using the calculated release isentrope we predict the temperature of the observed rarefaction shock. These experiments showed that the release state occurs at different magnitudes, thus allowing us to infer where dynamic {gamma} - {alpha} phase boundary is.

  9. Infrared spectra of proton transfer complexes of the cycleanine alkaloid in solid state

    Science.gov (United States)

    Kasende, Okuma E.; de Waal, D.

    2003-01-01

    Proton transfer complexes obtained between the cycleanine alkaloid and hydrogen chloride, hydrogen bromide and nitric acids have been investigated by infrared spectroscopic technique between 4000 and 400 cm -1 in KBr. The vibrational perturbations brought about by proton transfer complex formation, discussed in terms of preferred site of interaction, show that the proton of the inorganic acids is transferred to cycleanine through one of its N sites.

  10. Analysis and systematization of experience of state administration of Russian Federation military-industrial complex

    OpenAIRE

    O. F. Salnikova; H. P. Sytnik

    2014-01-01

    The analysis of the systems of development of the military-industrial complex of the Russian Federation is conducted in the article. Control system of the military-industrial complex of the Russian Federation is schematically represented in the article. Russia is one of the largest exporters of armaments. The most popular types of armaments are airplanes, systems of air defense, helicopters, fighting machines of infantry and small-arms. For today Russia actively masters new on ...

  11. Communication: Broad manifold of excitonic states in light-harvesting complex 1 promotes efficient unidirectional energy transfer in vivo

    Science.gov (United States)

    Sohail, Sara H.; Dahlberg, Peter D.; Allodi, Marco A.; Massey, Sara C.; Ting, Po-Chieh; Martin, Elizabeth C.; Hunter, C. Neil; Engel, Gregory S.

    2017-10-01

    In photosynthetic organisms, the pigment-protein complexes that comprise the light-harvesting antenna exhibit complex electronic structures and ultrafast dynamics due to the coupling among the chromophores. Here, we present absorptive two-dimensional (2D) electronic spectra from living cultures of the purple bacterium, Rhodobacter sphaeroides, acquired using gradient assisted photon echo spectroscopy. Diagonal slices through the 2D lineshape of the LH1 stimulated emission/ground state bleach feature reveal a resolvable higher energy population within the B875 manifold. The waiting time evolution of diagonal, horizontal, and vertical slices through the 2D lineshape shows a sub-100 fs intra-complex relaxation as this higher energy population red shifts. The absorption (855 nm) of this higher lying sub-population of B875 before it has red shifted optimizes spectral overlap between the LH1 B875 band and the B850 band of LH2. Access to an energetically broad distribution of excitonic states within B875 offers a mechanism for efficient energy transfer from LH2 to LH1 during photosynthesis while limiting back transfer. Two-dimensional lineshapes reveal a rapid decay in the ground-state bleach/stimulated emission of B875. This signal, identified as a decrease in the dipole strength of a strong transition in LH1 on the red side of the B875 band, is assigned to the rapid localization of an initially delocalized exciton state, a dephasing process that frustrates back transfer from LH1 to LH2.

  12. Copper(II) Thiosemicarbazone Complexes and Their Proligands upon UVA Irradiation: An EPR and Spectrophotometric Steady-State Study.

    Science.gov (United States)

    Hricovíni, Michal; Mazúr, Milan; Sîrbu, Angela; Palamarciuc, Oleg; Arion, Vladimir B; Brezová, Vlasta

    2018-03-21

    X- and Q-band electron paramagnetic resonance (EPR) spectroscopy was used to characterize polycrystalline Cu(II) complexes that contained sodium 5-sulfonate salicylaldehyde thiosemicarbazones possessing a hydrogen, methyl, ethyl, or phenyl substituent at the terminal nitrogen. The ability of thiosemicarbazone proligands to generate superoxide radical anions and hydroxyl radicals upon their exposure to UVA irradiation in aerated aqueous solutions was evidenced by the EPR spin trapping technique. The UVA irradiation of proligands in neutral or alkaline solutions and dimethylsulfoxide (DMSO) caused a significant decrease in the absorption bands of aldimine and phenolic chromophores. Mixing of proligand solutions with the equimolar amount of copper(II) ions resulted in the formation of 1:1 Cu(II)-to-ligand complex, with the EPR and UV-Vis spectra fully compatible with those obtained for the dissolved Cu(II) thiosemicarbazone complexes. The formation of the complexes fully inhibited the photoinduced generation of reactive oxygen species, and only subtle changes were found in the electronic absorption spectra of the complexes in aqueous and DMSO solutions upon UVA steady-state irradiation. The dark redox activity of copper(II) complexes and proligand/Cu(II) aqueous solutions towards hydrogen peroxide which resulted in the generation of hydroxyl radicals, was confirmed by spin trapping experiments.

  13. Solid-state NMR on complex biomolecules: novel methods and applications

    NARCIS (Netherlands)

    Nand, D.

    2011-01-01

    Solid-state NMR (ssNMR) represents a versatile technique in providing atomic-resolution information without the need for crystals or fast molecular motion required for X-ray crystallography and solution-state NMR, respectively. Recent past has witnessed the ability of this technique in providing

  14. Solid State NMR Characterization of Complex Metal Hydrides systems for Hydrogen Storage Applications

    Directory of Open Access Journals (Sweden)

    Son-Jong Hwang

    2011-12-01

    Full Text Available Solid state NMR is widely applied in studies of solid state chemistries for hydrogen storage reactions. Use of 11B MAS NMR in studies of metal borohydrides (BH4 is mainly focused, revisiting the issue of dodecaborane formation and observation of 11B{1H} Nuclear Overhauser Effect.

  15. Uncertainty Quantification for Complex RF-structures Using the State-space Concatenation Approach

    CERN Document Server

    Heller, Johann; Schmidt, Christian; Van Rienen, Ursula

    2015-01-01

    as well as to employ robust optimizations, a so-called uncertainty quantification (UQ) is applied. For large and complex structures such computations are heavily demanding and cannot be carried out using standard brute-force approaches. In this paper, we propose a combination of established techniques to perform UQ for long and complex structures, where the uncertainty is located only in parts of the structure. As exemplary structure, we investigate the third-harmonic cavity, which is being used at the FLASH accelerator at DESY, assuming an uncertain...

  16. IMPROVING THE EFFICIENCY OF THE STATE FINANCIAL CONTROL IN THE SPHERE OF HIGH-TECH MILITARY-INDUSTRIAL COMPLEX

    Directory of Open Access Journals (Sweden)

    Anzhela Zakhitovna Namitulina

    2016-01-01

    Full Text Available The presented research topic is particularly relevant due to the high value and the need to strengthen fi nancial control for the development of the military-industrial complex (MIC, to ensure the country's economic security, preservation and development of scientifi c and technical potential. The urgency of acquiring those aspects of economic relations which are connected with the supply the export of high-tech military products in a limited budget funding State should have levers of infl uence on the functioning of the military-industrial complex, the ability to pursue an independent foreign military-technical policy. In the new economic conditions, it became necessary to address the problems of fi nancial security of the defense-industrial complex, in order to strengthen the independence and security of Russia, as well as the need to give priority nature of the measures of state control in the economy related to the implementation of the defense order, ie, in the sphere of military-industrial complex. At the present stage of economic development of Russia, the rate of growth of the national economy largely depends on what the situation is in the military-industrial complex (MIC. This is due to the fact that the defense industry is the most high-quality, high-tech economy. It concentrated the largest part of the Russian potential, the best staff of scientists and experts. Products and DIC technology widely used in other industries. The modern military-industrial complex produces a signifi cant part of civil production. DIC integration with civilian industries – it is also a technological basis for solving the basic problems currently facing the Russian economy, and, above all, the basis of the formation of a new technological basis for the development of high technology and competitive products, which determines the pace of scientifi c and technological progress and the growth of the national economy. Objectives. The aim of the paper is the

  17. Study on photophysical properties of Eu(III) complexes with aromatic β-diketones – Role of charge transfer states in the energy migration

    Energy Technology Data Exchange (ETDEWEB)

    Räsänen, Markus, E-mail: mpvras@utu.fi [Department of Chemistry, University of Turku, FIN-20014 Turku (Finland); Takalo, Harri [DHR Finland Oy, Innotrac Diagnostics, Biolinja 12, FIN-20750 Turku (Finland); Rosenberg, Jaana; Mäkelä, Joonas [Department of Biochemistry and Food Chemistry, University of Turku, FIN-20014 Turku (Finland); Haapakka, Keijo; Kankare, Jouko [Department of Chemistry, University of Turku, FIN-20014 Turku (Finland)

    2014-02-15

    We synthesized a set of aromatic β-diketones and measured the photophysical properties of their europium(III) complexes. According to these photophysical properties, the europium complexes can be divided into two groups: the complexes with or without the freely rotating amino-group (FRAG). On the basis of the experimental results, it can be concluded that in the FRAG complexes, the ligand-centered excitation energy is most probably transferred from a ligand to a coordinated europium via the intraligand charge transfer (ILCT) state. The temperature dependency of the lifetimes of the emissive {sup 5}D{sub 0} state revealed that in the FRAG complexes, the energy of the emissive {sup 5}D{sub 0} state is back-transferred to the ligand-to-metal charge transfer (LMCT) state and in the non-FRAG complexes, to the triplet state of the ligand. The most efficient complex synthesized was the europium complex of carbazole derivative L{sup 6} with the quantum yield of 47% and molar absorption coefficient of 70,400 M{sup −1}cm{sup −1}. -- Highlights: • We synthesized a set of substituted aromatic β-diketones and their Eu(III) complexes. • We measured the photophysical properties of these Eu(III) complexes. • Carbazole derivative of β-diketone forms the brightest Eu(III) complex. • The Jablonski diagrams proposed for the luminescence of these complexes.

  18. Flora of the State of Paraíba, Brazil: Loranthaceae Juss.

    Directory of Open Access Journals (Sweden)

    Gabriella Carla Leite de Vasconcelos

    2015-08-01

    Full Text Available The family Loranthaceae Juss., characterized by its parasitic habit, is rarely studied in Brazil. Current research provides a taxonomic survey of Loranthaceae in the State of Paraiba, northeastern Brazil, in which ten species belonging to four genera have been recorded: Passovia (one species, Psittacanthus (two species, Pusillanthus (one species and Struthanthus (six species. Struthanthus concinnus Mart. was found for the first time in the state of Paraíba. A key to the species identification and taxonomic descriptions is presented, with images, geographic distribution and host data.

  19. Electronic structure and charge transfer excited states of endohedral fullerene containing electron donoracceptor complexes utilized in organic photovoltaics

    Science.gov (United States)

    Amerikheirabadi, Fatemeh

    Organic Donor-Acceptor complexes form the main component of the organic photovoltaic devices (OPVs). The open circuit voltage of OPVs is directly related to the charge transfer excited state energies of these complexes. Currently a large number of different molecular complexes are being tested for their efficiency in photovoltaic devices. In this work, density functional theory as implemented in the NRLMOL code is used to investigate the electronic structure and related properties of these donor-acceptor complexes. The charge transfer excitation energies are calculated using the perturbative delta self-consistent field method recently developed in our group as the standard time dependent density functional approaches fail to accurately provide them. The model photovoltaics systems analyzed are as follows: Sc3N C 80--ZnTPP, Y3 N C80-- ZnTPP and Sc3 N C80-- ZnPc. In addition, a thorough analysis of the isolated donor and acceptor molecules is also provided. The studied acceptors are chosen from a class of fullerenes named trimetallic nitride endohedral fullerenes. These molecules have shown to possess advantages as acceptors such as long lifetimes of the charge-separated states.

  20. Supramolecular Control of Oligothienylenevinylene-Fullerene Interactions: Evidence for a Ground-State EDA Complex

    NARCIS (Netherlands)

    McClenaghan, N.D.; Grote, Z.; Darriet, K.; Zimine, M.Y.; Williams, R.M.; De Cola, L.; Bassani, D.M.

    2005-01-01

    Complementary hydrogen-bonding interactions between a barbituric acid-substituted fullerene derivative (1) and corresponding receptor (2) bearing thienylenevinylene units are used to assemble a 1:1 supramolecular complex ( K ) 5500 M-1). Due to the close proximity of the redox-active moieties within

  1. Forms of iron in soils on basement complex rocks of Kaduna state in ...

    African Journals Online (AJOL)

    The forms of iron extracted by different methods were studied in soils developed on four basement complex rocks within Northern Guinea Savanna of Nigeria namely: migmatite gneisses, older granite, quartzites and mica schists. The study shows that forms of iron generally decreased in the order of total elemental iron ...

  2. Chimera states in complex networks: interplay of fractal topology and delay

    Science.gov (United States)

    Sawicki, Jakub; Omelchenko, Iryna; Zakharova, Anna; Schöll, Eckehard

    2017-06-01

    Chimera states are an example of intriguing partial synchronization patterns emerging in networks of identical oscillators. They consist of spatially coexisting domains of coherent (synchronized) and incoherent (desynchronized) dynamics. We analyze chimera states in networks of Van der Pol oscillators with hierarchical connectivities, and elaborate the role of time delay introduced in the coupling term. In the parameter plane of coupling strength and delay time we find tongue-like regions of existence of chimera states alternating with regions of existence of coherent travelling waves. We demonstrate that by varying the time delay one can deliberately stabilize desired spatio-temporal patterns in the system.

  3. Protein structural deformation induced lifetime shortening of photosynthetic bacteria light-harvesting complex LH2 excited state.

    Science.gov (United States)

    Chen, Xing-Hai; Zhang, Lei; Weng, Yu-Xiang; Du, Lu-Chao; Ye, Man-Ping; Yang, Guo-Zhen; Fujii, Ritsuko; Rondonuwu, Ferdy S; Koyama, Yasushi; Wu, Yi-Shi; Zhang, J P

    2005-06-01

    Photosynthetic bacterial light-harvesting antenna complex LH2 was immobilized on the surface of TiO(2) nanoparticles in the colloidal solution. The LH2/TiO(2) assembly was investigated by the time-resolved spectroscopic methods. The excited-state lifetimes for carotenoid-containing and carotenoidless LH2 have been measured, showing a decrease in the excited-state lifetime of B850 when LH2 was immobilized on TiO(2). The possibility that the decrease of the LH2 excited-state lifetime being caused by an interfacial electron transfer reaction between B850 and the TiO(2) nanoparticle was precluded experimentally. We proposed that the observed change in the photophysical properties of LH2 when assembled onto TiO(2) nanoparticles is arising from the interfacial-interaction-induced structural deformation of the LH2 complex deviating from an ellipse of less eccentric to a more eccentric ellipse, and the observed phenomenon can be accounted by an elliptical exciton model. Experiment by using photoinactive SiO(2) nanoparticle in place of TiO(2) and core complex LH1 instead of LH2 provide further evidence to the proposed mechanism.

  4. Constructing Markov State Models to elucidate the functional conformational changes of complex biomolecules

    KAUST Repository

    Wang, Wei; Cao, Siqin; Zhu, Lizhe; Huang, Xuhui

    2017-01-01

    bioengineering applications and rational drug design. Constructing Markov State Models (MSMs) based on large-scale molecular dynamics simulations has emerged as a powerful approach to model functional conformational changes of the biomolecular system

  5. Coupled dynamics of node and link states in complex networks: a model for language competition

    International Nuclear Information System (INIS)

    Carro, Adrián; Toral, Raúl; Miguel, Maxi San

    2016-01-01

    Inspired by language competition processes, we present a model of coupled evolution of node and link states. In particular, we focus on the interplay between the use of a language and the preference or attitude of the speakers towards it, which we model, respectively, as a property of the interactions between speakers (a link state) and as a property of the speakers themselves (a node state). Furthermore, we restrict our attention to the case of two socially equivalent languages and to socially inspired network topologies based on a mechanism of triadic closure. As opposed to most of the previous literature, where language extinction is an inevitable outcome of the dynamics, we find a broad range of possible asymptotic configurations, which we classify as: frozen extinction states, frozen coexistence states, and dynamically trapped coexistence states. Moreover, metastable coexistence states with very long survival times and displaying a non-trivial dynamics are found to be abundant. Interestingly, a system size scaling analysis shows, on the one hand, that the probability of language extinction vanishes exponentially for increasing system sizes and, on the other hand, that the time scale of survival of the non-trivial dynamical metastable states increases linearly with the size of the system. Thus, non-trivial dynamical coexistence is the only possible outcome for large enough systems. Finally, we show how this coexistence is characterized by one of the languages becoming clearly predominant while the other one becomes increasingly confined to ‘ghetto-like’ structures: small groups of bilingual speakers arranged in triangles, with a strong preference for the minority language, and using it for their intra-group interactions while they switch to the predominant language for communications with the rest of the population. (paper)

  6. Chemical states and electronic properties of the interface between aluminium and a photoluminescent conjugated copolymer containing europium complex

    International Nuclear Information System (INIS)

    Cai, Q.J.; Ling, Q.D.; Li, S.; Zhu, F.R.; Huang, Wei; Kang, E.T.; Neoh, K.G.

    2004-01-01

    The chemical states and electronic properties of the interface between thermally evaporated aluminium and a photoluminescent conjugated copolymer containing 9,9'-dihexylfluorene and europium complex-chelated benzoate units in the main chain (PF6-Eu(dbm) 2 phen) were studied in situ by X-ray photoelectron spectroscopy (XPS) and ultraviolet photoelectron spectroscopy (UPS). The changes in C 1s, Eu 3d, N 1s, and Al 2p core-level lineshapes with progressive deposition of aluminium atoms were carefully monitored. Aluminium was found to interact with the conjugated backbone of the copolymer to form the Al carbide, Al-O-C complex, and Al(III)-N chelate at the interface. In addition, the europium ions were reduced to the metallic state by the deposited aluminium atoms, which were oxidized and chelated by the 1,10-phenanthroline ligands (phen). The changes in chemical states at the interface suggest that the intramolecular energy transfer process in this copolymer had been affected. Moreover, aluminium also interacted with the bulk-adsorbed oxygen, which migrates to the surface in response to the deposition of aluminium atoms, to form a layer of metal oxides. On the other hand, the evolution of the UPS spectra suggests that the π-states of the conjugated system were affected and an unfavorable dipole layer was induced by the deposited aluminium atoms

  7. Complex Metal Hydrides for hydrogen storage and solid-state ion conductors

    DEFF Research Database (Denmark)

    Payandeh GharibDoust, SeyedHosein

    and electricity in batteries. However, both hydrogen and electricity must be stored in a very dense way to be useful, e.g. for mobile applications. Complex metal hydrides have high hydrogen density and have been studied during the past twenty years in hydrogen storage systems. Moreover, they have shown high ionic...... conductivities which promote their application as solid electrolytes in batteries. This dissertation presents the synthesis and characterization of a variety of complex metal hydrides and explores their hydrogen storage properties and ionic conductivity. Five halide free rare earth borohydrides RE(BH4)3, (RE...... = La, Ce, Pr, Nd, Er) have been synthesized, which pave the way for studying the polymorphic transition in these compounds, obtaining new bimetallic borohydrides and designing new reactive hydride composites with improved hydrogen storage capacities. Two novel polymorphs of Pr(BH4)3 are identified...

  8. Rahman Prize Lecture: Lattice Boltzmann simulation of complex states of flowing matter

    Science.gov (United States)

    Succi, Sauro

    Over the last three decades, the Lattice Boltzmann (LB) method has gained a prominent role in the numerical simulation of complex flows across an impressively broad range of scales, from fully-developed turbulence in real-life geometries, to multiphase flows in micro-fluidic devices, all the way down to biopolymer translocation in nanopores and lately, even quark-gluon plasmas. After a brief introduction to the main ideas behind the LB method and its historical developments, we shall present a few selected applications to complex flow problems at various scales of motion. Finally, we shall discuss prospects for extreme-scale LB simulations of outstanding problems in the physics of fluids and its interfaces with material sciences and biology, such as the modelling of fluid turbulence, the optimal design of nanoporous gold catalysts and protein folding/aggregation in crowded environments.

  9. 75 FR 3434 - Fisheries of the Northeastern United States; Northeast Skate Complex Fishery; Amendment 3

    Science.gov (United States)

    2010-01-21

    ...NMFS proposes regulations to implement measures in Amendment 3 to the Northeast Skate Complex Fishery Management Plan (Skate FMP). Amendment 3 was developed by the New England Fishery Management Council (Council) to rebuild overfished skate stocks and implement annual catch limits (ACLs) and accountability measures (AMs) consistent with the requirements of the reauthorized Magnuson-Stevens Fishery Conservation and Management Act (Magnuson-Stevens Act). Amendment 3 would implement a rebuilding plan for smooth skate and establish an ACL and annual catch target (ACT) for the skate complex, total allowable landings (TAL) for the skate wing and bait fisheries, seasonal quotas for the bait fishery, reduced possession limits, in-season possession limit triggers, and other measures to improve management of the skate fisheries. This proposed rule also includes skate fishery specifications for fishing years (FY) 2010 and 2011.

  10. Synthesis and Isotope Effects on the Excited State Properties of NN Bound Complexes

    NARCIS (Netherlands)

    Soman, Suraj; Younis, Hamid M.; Browne, Wesley R.; Vos, Johannes G.; Pryce, Mary T.

    2017-01-01

    A versatile approach to the preparation of [Ir(LL)(2)Cl-2](PF6) type complexes is reported, in which LL is an (NN)-N- bound polypyridyl ligand [X(2)bpy, X(2)phen, where X = H-, CH3-, (CH3)(3)C-, or phenyl-, and bpy = 2,2-bipyridyl, phen = 1,10-phenanthroline] as well as their deuterated analogues.

  11. Anonymous As a Cyber Tribe: A New Model for Complex, Non-State Cyber Actors

    Science.gov (United States)

    2015-05-01

    personas. Only then can cyber strategists exercise the required amount of cultural relativism needed to influence complex, and sometimes disturbing...that runs counter to their professional ethic ? When cyber tribes employ atrocity to create cultural barriers, how will planners remain focused on...as a cyber actor’s motivation? Meeting these challenges requires new levels of cultural relativism —the understanding of a “culture or a cultural

  12. Brownian dynamics of a protein-polymer chain complex in a solid-state nanopore

    Science.gov (United States)

    Wells, Craig C.; Melnikov, Dmitriy V.; Gracheva, Maria E.

    2017-08-01

    We study the movement of a polymer attached to a large protein inside a nanopore in a thin silicon dioxide membrane submerged in an electrolyte solution. We use Brownian dynamics to describe the motion of a negatively charged polymer chain of varying lengths attached to a neutral protein modeled as a spherical bead with a radius larger than that of the nanopore, allowing the chain to thread the nanopore but preventing it from translocating. The motion of the protein-polymer complex within the pore is also compared to that of a freely translocating polymer. Our results show that the free polymer's standard deviations in the direction normal to the pore axis is greater than that of the protein-polymer complex. We find that restrictions imposed by the protein, bias, and neighboring chain segments aid in controlling the position of the chain in the pore. Understanding the behavior of the protein-polymer chain complex may lead to methods that improve molecule identification by increasing the resolution of ionic current measurements.

  13. States of an on-axis two-hydrogenic-impurity complex in concentric double quantum rings

    International Nuclear Information System (INIS)

    R-Fulla, M.; Marín, J.H.; Suaza, Y.A.; Duque, C.A.; Mora-Ramos, M.E.

    2014-01-01

    The energy structure of an on-axis two-donor system (D 2 0 ) confined in GaAs concentric double quantum rings under the presence of magnetic field and hydrostatic pressure was analyzed. Based on structural data for the double quantum ring morphology, a rigorous adiabatic procedure was implemented to separate the electrons' rapid in-plane motions from the slow rotational ones. A one-dimensional equation with an effective angular-dependent potential, which describes the two-electron rotations around the common symmetry axis of quantum rings was obtained. It was shown that D 2 0 complex characteristic features are strongly dependent on the quantum ring geometrical parameters. Besides, by changing the hydrostatic pressure and magnetic field strengths, it is possible to tune the D 2 0 energy structure. Our results are comparable to those previously reported for a single and negative ionized donor in a spherical quantum dot after a selective setting of the geometrical parameters of the structure. - Highlights: • We report the eigenenergies of a D 2 0 complex in concentric double quantum rings. • Our model is versatile enough to analyze the dissociation process D 2 0 →D 0 +D + +e − . • We compare the D 0 eigenenergies in horn toroidal and spherical shaped quantum dots. • We show the effects of hydrostatic pressure and magnetic field on the D 2 0 spectrum. • The use of hydrostatic pressure provides higher thermal stability to the D 2 0 complex

  14. More than meets the eye: the role of self-identity in decoding complex emotional states.

    Science.gov (United States)

    Stevenson, Michael T; Soto, José A; Adams, Reginald B

    2012-10-01

    Folk wisdom asserts that "the eyes are the window to the soul," and empirical science corroborates a prominent role for the eyes in the communication of emotion. Herein we examine variation in the ability to "read" the eyes of others as a function of social group membership, employing a widely used emotional state decoding task: "Reading the Mind in Eyes." This task has documented impaired emotional state decoding across racial groups, with cross-race performance on par with that previously reported as a function of autism spectrum disorders. The present study extended this work by examining the moderating role of social identity in such impairments. For college students more highly identified with their university, cross-race performance differences were not found for judgments of "same-school" eyes but remained for "rival-school" eyes. These findings suggest that impaired emotional state decoding across groups may thus be more amenable to remediation than previously realized.

  15. Ultrafast excited state processes in Roseobacter denitrificans antennae: comparison of isolated complexes and native membranes

    NARCIS (Netherlands)

    Ferretti, M.; Duquesne, K.; Sturgis, J.N.; van Grondelle, R.

    2014-01-01

    Roseobacter (Rsb.) denitrificans is a marine aerobic anoxygenic photosynthetic purple bacterium with an unusually high-800 nm absorption band. Ultrafast excited state processes have been intensively studied in the past in order to understand why the energy transfer efficiency between photosynthetic

  16. Complexity Analysis of Resting-State MEG Activity in Early-Stage Parkinson's Disease Patients

    NARCIS (Netherlands)

    Gómez, C.; Olde Dubbelink, K.T.E.; Stam, C.J.; Abasolo, D.; Berendse, H.W.; Hornero, R.

    2011-01-01

    The aim of the present study was to analyze resting-state brain activity in patients with Parkinson's disease (PD), a degenerative disorder of the nervous system. Magnetoencephalography (MEG) signals were recorded with a 151-channel whole-head radial gradiometer MEG system in 18 early-stage

  17. Minors' rights to consent to treatment: navigating the complexity of State laws.

    Science.gov (United States)

    Vukadinovich, David M

    2004-01-01

    State laws recognize that a competent adult patient has the right to consent to or refuse medical treatment. While the law is clear with regard to the right of competent adults, state statutes are more complicated when the patient is a minor. While the law should, and does, attempt to balance the rights and obligations of parents and guardians against the access and privacy rights of minors, complicated state statutory schemes often fail to simultaneously address those contrasting goals in a consistent and uniform manner. The result is a confusing set of seemingly arbitrary and sometimes conflicting provisions that require the detailed attention of healthcare providers to ensure legal compliance. With the aim of helping healthcare practitioners meet their legal obligations, this Article examines state laws governing minor's consent rights byfocusing on the instances in which a minor's parent, guardian, or other authorized adult is permitted to consent to treatment on behalf of a minor and the instances in which a minor is authorized to act independent of adult intervention.

  18. The total quasi-steady-state approximation for complex enzyme reactions

    DEFF Research Database (Denmark)

    Pedersen, Morten Gram; Bersani, A. M.; Bersani, E.

    2008-01-01

    ) approximation (or standard quasi-steady-state approximation (sQSSA)), which is valid when the enzyme concentration is sufficiently small. This condition is usually fulfilled for in vitro experiments, but often breaks down in vivo. The total QSSA (tQSSA), which is valid for a broader range of parameters covering...

  19. States of an on-axis two-hydrogenic-impurity complex in concentric double quantum rings

    Energy Technology Data Exchange (ETDEWEB)

    R-Fulla, M., E-mail: marlonfulla@yahoo.com [Escuela de Física, Universidad Nacional de Colombia, A.A. 3840, Medellín (Colombia); Institución Universitaria Pascual Bravo, A.A. 6564, Medellín (Colombia); Marín, J.H.; Suaza, Y.A. [Escuela de Física, Universidad Nacional de Colombia, A.A. 3840, Medellín (Colombia); Duque, C.A. [Grupo de Materia Condensada-U de A, Instituto de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Antioquia, calle 70 No. 52-21, Medellín (Colombia); Mora-Ramos, M.E. [Facultad de Ciencias, Universidad Autónoma del Estado de Morelos, Av. Universidad 1001, CP 62209, Cuernavaca, Morelos (Mexico)

    2014-06-13

    The energy structure of an on-axis two-donor system (D{sub 2}{sup 0}) confined in GaAs concentric double quantum rings under the presence of magnetic field and hydrostatic pressure was analyzed. Based on structural data for the double quantum ring morphology, a rigorous adiabatic procedure was implemented to separate the electrons' rapid in-plane motions from the slow rotational ones. A one-dimensional equation with an effective angular-dependent potential, which describes the two-electron rotations around the common symmetry axis of quantum rings was obtained. It was shown that D{sub 2}{sup 0} complex characteristic features are strongly dependent on the quantum ring geometrical parameters. Besides, by changing the hydrostatic pressure and magnetic field strengths, it is possible to tune the D{sub 2}{sup 0} energy structure. Our results are comparable to those previously reported for a single and negative ionized donor in a spherical quantum dot after a selective setting of the geometrical parameters of the structure. - Highlights: • We report the eigenenergies of a D{sub 2}{sup 0} complex in concentric double quantum rings. • Our model is versatile enough to analyze the dissociation process D{sub 2}{sup 0}→D{sup 0}+D{sup +}+e{sup −}. • We compare the D{sup 0} eigenenergies in horn toroidal and spherical shaped quantum dots. • We show the effects of hydrostatic pressure and magnetic field on the D{sub 2}{sup 0} spectrum. • The use of hydrostatic pressure provides higher thermal stability to the D{sub 2}{sup 0} complex.

  20. Electrical manipulation of spin states in a single electrostatically gated transition-metal complex

    DEFF Research Database (Denmark)

    Osorio, Edgar A; Moth-Poulsen, Kasper; van der Zant, Herre S J

    2010-01-01

    -field on the Mn-atom. Adding a single electron thus stabilizes the low-spin configuration and the corresponding sequential tunnelling current is suppressed by spin-blockade. From low-temperature inelastic cotunneling spectroscopy, we infer the magnetic excitation spectrum of the molecule and uncover also...... a strongly gate-dependent singlet-triplet splitting on the low-spin side. The measured bias-spectroscopy is shown to be consistent with an exact diagonalization of the Mn-complex, and an interpretation of the data is given in terms of a simplified effective model....

  1. Clinical features and pathophysiology of Complex Regional Pain Syndrome – current state of the art

    Science.gov (United States)

    Marinus, Johan; Moseley, G. Lorimer; Birklein, Frank; Baron, Ralf; Maihöfner, Christian; Kingery, Wade S.; van Hilten, Jacobus J.

    2017-01-01

    That a minor injury can trigger a complex regional pain syndrome (CRPS) - multiple system dysfunction, severe and often chronic pain and disability - has fascinated scientists and perplexed clinicians for decades. However, substantial advances across several medical disciplines have recently increased our understanding of CRPS. Compelling evidence implicates biological pathways that underlie aberrant inflammation, vasomotor dysfunction, and maladaptive neuroplasticity in the clinical features of CRPS. Collectively, the evidence points to CRPS being a multifactorial disorder that is associated with an aberrant host response to tissue injury. Varying susceptibility to perturbed regulation of any of the underlying biological pathways probably accounts for the clinical heterogeneity of CRPS. PMID:21683929

  2. Solid state structure of thorium(IV) complexes with common aminopoly-carboxylate ligands

    International Nuclear Information System (INIS)

    Thuery, Pierre

    2011-01-01

    The crystal structures of the complexes formed by reaction of thorium(IV) nitrate with iminodiacetic acid (H 2 IDA), nitrilotriacetic acid (H 3 NTA), and ethylenediaminetetraacetic acid (H 4 EDTA) under hydrothermal conditions are reported. In [Th(HIDA) 2 (C 2 O 4 )].H 2 O (1), the metal atom is chelated by two carboxylate groups from two HIDA - anions and by two oxalate ligands formed in situ; two additional oxygen atoms from two more HIDA - anions complete the ten-coordinate environment of bi-capped square anti-prismatic geometry. The uncoordinated nitrogen atom is protonated and involved in hydrogen bonding. Two different ligands are present in [Th(NTA)(H 2 NTA)(H 2 O)].H 2 O (2), one of them being a O 3 ,N-chelating tri-anion which acts also as a bridge toward two neighboring metal ions, and the other being a bis-monodentate bridging species with an uncoordinated carboxylic arm and a central ammonium group. An aqua ligand completes the nine-coordinated, capped square anti-prismatic metal environment. The EDTA 4- anion in [Th(EDTA)(H 2 O)].2H 2 O (3) is chelating through one oxygen atom from each carboxylate group and the two nitrogen atoms, as in a previously reported molecular complex. Two carboxylate groups are bridging, which, with the addition of an aqua ligand, gives a capped square anti-prismatic coordination polyhedron. Aminopoly-carboxylate ligands have been much investigated in relation with actinide decorporation and nuclear wastes management studies, and the present results add to the structural information available on their complexes with thorium(IV), which has mainly been obtained up to now by extended X-ray absorption fine structure (EXAFS) spectroscopy. In particular, the bridging (non-chelating) coordination mode of H 2 NTA - is a novel feature in this context. All three complexes crystallize as two-dimensional assemblies and are thus novel examples of thorium-organic coordination polymers. (author)

  3. Granulitic orthogneisses geochemistry of Caraiba complex, in Riachao do Jacuipe region - Bahia state, Brazil

    International Nuclear Information System (INIS)

    Teixeira, L.R.; Mello, R.C.

    1990-01-01

    This paper describes the granulitic orthogneisses of the Riachao do Jacuipe unit (Caraiba Complex) petrographicaly classified as tonalitic (predominating), trondhjemitic, granodioritic and quartz dioritic hyperstene gneisses. The chemical composition of the orthogneisses is dominantly tonalitic/granodioritic, that is typical of a calc-alkaline parentage depleted in K and enriched in Al sub(2) O sub(3). Their geochemical characteristics are very similar to those of the grey gneisses of other regions of the world, usually named TTG (tonalite-trondhhemite-granodiorite). In the sequence of orthogneiss coexist rocks both normal and depleted in LILE. The patterns of distribution of highly fractioned REE (La/YbN ratio up to 102) with Eu anomaly small or absent points against a direct mantle origin. On the other hand the only Rb-Sr age determination in the se rocks gives an age of 2,35 Ga with an initial ratio (Ro) of 0,702. This initial ratio suggests that the rocks did not originated from reworking of a much older continental crust. The available data suggest that the granulitized orthogneisses of the Caraiba Complex were formed by partial melt of basaltic material (amphibalitized oceanic crust). (author)

  4. CLASSIFICATION AND COMPLEX STATE VALUE OF SHOPPING CENTERS: PROJECT-ORIENTED APPROACH

    Directory of Open Access Journals (Sweden)

    Юрій Павлович РАК

    2016-02-01

    Full Text Available Was done the analysis of projects objects of trade and entertainment centers from the perspective of improving the life safety and is proposed the definition of "Trade and entertainment center", "Trade and entertainment center" and "Complex value of trade and entertainment center." A classification of shopping centers on the classification criteria and the criteria are characterized by increased security status and attractiveness of their operation. The classification of trade and entertainment centers on the criteria of classification features were made. It characterizes the security situation and will increase the attractiveness of their operation. In the nearest future the most secure and modern TEC will be those buildings who will have unique qualities such as safety systems, excellent customer service, and thus by a high level of trust (the client to the mall. The important role will play those TEC, who have clearly formed value oriented project management, including communication values using innovative methods and models. Trade and entertainment centers as an organization are included in the complex process of interaction management. They being both as an enterprise that serves the public and satisfying a great range of his interests and architectural site, which is leased and increases the business attractiveness of the district of TEC location. This duality of the essence of TEC center makes difficult to assess the effectiveness of its security.

  5. Isotopic geochronology of the Western Carpathian crystalline complex: the present state

    International Nuclear Information System (INIS)

    Cambel, B.; Kral, J.

    1989-01-01

    Main events in the Western Carpathian crystalline complex documented by the U-Th-Pb, Rb-Sr, K-Ar and FT methods are as follows: Regional metamorphism of sedimentary rocks from the Tatric unit documented by isotopic homogenization of the 87 Sr/ 86 Sr ratio took place 400 million years ago (Silurian-Devonian boundary). Subsequent metamorphism of these rocks is associated with intrusions of granitoid bodies. The age of rhyolite volcanism of Gelnica sequence in the Gemericum is identical with that of the first stage of regional metamorphism. Granitoid plutonism covers a long time interval ranging from 390 to 280 million years. The presence of late Alpine granites has not yet been proved. Cooling of rocks from the crystalline complex to a temperature of ca. 270 degC was attained in the Tatric rocks ca. 300 million years ago and in the Veporic (Gemeric) rocks ca. 90-120 million years ago. The latest post-orogenic uplift differs in the Tatricum (most often Miocene) and the Veporicum (Upper Cretaceous). (author). 8 fis., 1 tab., 51 refs

  6. Studies of lysine cyclodeaminase from Streptomyces pristinaespiralis: Insights into the complex transition NAD+ state.

    Science.gov (United States)

    Ying, Hanxiao; Wang, Jing; Shi, Ting; Zhao, Yilei; Wang, Xin; Ouyang, Pingkai; Chen, Kequan

    2018-01-01

    Lysine cyclodeaminase (LCD) catalyzes the piperidine ring formation in macrolide-pipecolate natural products metabolic pathways from a lysine substrate through a combination of cyclization and deamination. This enzyme belongs to a unique enzyme class, which uses NAD + as the catalytic prosthetic group instead of as the co-substrate. To understand the molecular details of NAD + functions in lysine cyclodeaminase, we have determined four ternary crystal structure complexes of LCD-NAD + with pipecolic acid (LCD-PA), lysine (LCD-LYS), and an intermediate (LCD-INT) as ligands at 2.26-, 2.00-, 2.17- and 1.80 Å resolutions, respectively. By combining computational studies, a NAD + -mediated "gate keeper" function involving NAD + /NADH and Arg49 that control the binding and entry of the ligand lysine was revealed, confirming the critical roles of NAD + in the substrate access process. Further, in the gate opening form, a substrate delivery tunnel between ε-carboxyl moiety of Glu264 and the α-carboxyl moiety of Asp236 was observed through a comparison of four structure complexes. The LCD structure details including NAD + -mediated "gate keeper" and substrate tunnel may assist in the exploration the NAD + function in this unique enzyme class, and in regulation of macrolide-pipecolate natural product synthesis. Copyright © 2017 Elsevier Inc. All rights reserved.

  7. Theoretical investigation of potential energy surface and bound states for the van der Waals complex Ar–BrCl dimer

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Rui [School of Mathematics and Information Science, North China University of Water Resources and Electric Power, Zhengzhou (China); Key Laboratory of Magnetic Resonance in Biological Systems, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Centre for Magnetic Resonance, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan (China); Li, Song, E-mail: lsong@yangtzeu.edu.cn [School of Physics and Optoelectronic Engineering, Yangtze University, Jingzhou (China); Chen, Shan-Jun; Chen, Yan [School of Physics and Optoelectronic Engineering, Yangtze University, Jingzhou (China); Zheng, Li-Min [Key Laboratory of Magnetic Resonance in Biological Systems, State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Centre for Magnetic Resonance, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan (China)

    2015-09-08

    Highlights: • A two-dimensional potential for Ar–BrCl is constructed at the CCSD(T) level. • The PES is characterized by three minima and two saddle points between them. • Bound state calculations were carried out for the complex. - Abstract: The intermolecular potential energy surface (PES) of the ground electronic state for the Ar–BrCl dimer is constructed at the CCSD(T) level with the aug-cc-pVQZ basis set and mid-bond functions. The PES is characterized by three minima and two saddle points. The global minimum corresponding to a collinear Ar–BrCl configuration, which has been observed experimentally, is located at R = 4.10 Å and θ = 2.5° with a well depth of −285.207 cm{sup −1}. A nearly T-shaped structure and an anti-linear Ar–ClBr geometry is also predicted. The bound state calculations are preformed to study intermolecular vibrational modes, rotational levels and average structures for the complex. Our transition frequencies, spectroscopic constants and average structures for all isotopomers of the collinear isomer agree well with experimental data. We have also provided pure rotational transitional frequencies for both nearly T-shaped and anti-linear isomers. These results are significant for further experimental investigations of the Ar–BrCl dimer.

  8. Homoleptic Ce(III) and Ce(IV) Nitroxide Complexes: Significant Stabilization of the 4+ Oxidation State

    Energy Technology Data Exchange (ETDEWEB)

    Bogart, Justin A.; Lewis, Andrew J.; Medling, Scott A.; Piro, Nicholas A.; Carroll, Patrick J.; Booth, Corwin H.; Schelter, Eric J.

    2014-06-25

    Electrochemical experiments performed on the complex Ce-IV[2-((BuNO)-Bu-t)py](4), where [2-((BuNO)-Bu-t)py](-) = N-tert-butyl-N-2-pyridylnitroxide, indicate a 2.51 V stabilization of the 4+ oxidation state of Ce compared to [(Bu4N)-Bu-n](2)[Ce(NO3)(6)] in acetonitrile and a 2.95 V stabilization compared to the standard potential for the ion under aqueous conditions. Density functional theory calculations suggest that this preference for the higher oxidation state is a result of the tetrakis(nitroxide) ligand framework at the Ce cation, which allows for effective electron donation into, and partial covalent overlap with, vacant 4f orbitals with delta symmetry. The results speak to the behavior of CeO2 and related solid solutions in oxygen uptake and transport applications, in particular an inherent local character of bonding that stabilizes the 4+ oxidation state. The results indicate a cerium(IV) complex that has been stabilized to an unprecedented degree through tuning of its ligand-field environment.

  9. Binary-State Dynamics on Complex Networks: Pair Approximation and Beyond

    Directory of Open Access Journals (Sweden)

    James P. Gleeson

    2013-04-01

    Full Text Available A wide class of binary-state dynamics on networks—including, for example, the voter model, the Bass diffusion model, and threshold models—can be described in terms of transition rates (spin-flip probabilities that depend on the number of nearest neighbors in each of the two possible states. High-accuracy approximations for the emergent dynamics of such models on uncorrelated, infinite networks are given by recently developed compartmental models or approximate master equations (AMEs. Pair approximations (PAs and mean-field theories can be systematically derived from the AME. We show that PA and AME solutions can coincide under certain circumstances, and numerical simulations confirm that PA is highly accurate in these cases. For monotone dynamics (where transitions out of one nodal state are impossible, e.g., susceptible-infected disease spread or Bass diffusion, PA and the AME give identical results for the fraction of nodes in the infected (active state for all time, provided that the rate of infection depends linearly on the number of infected neighbors. In the more general nonmonotone case, we derive a condition—that proves to be equivalent to a detailed balance condition on the dynamics—for PA and AME solutions to coincide in the limit t→∞. This equivalence permits bifurcation analysis, yielding explicit expressions for the critical (ferromagnetic or paramagnetic transition point of such dynamics, that is closely analogous to the critical temperature of the Ising spin model. Finally, the AME for threshold models of propagation is shown to reduce to just two differential equations and to give excellent agreement with numerical simulations. As part of this work, the Octave or Matlab code for implementing and solving the differential-equation systems is made available for download.

  10. A spin-frustrated trinuclear copper complex based on triaminoguanidine with an energetically well-separated degenerate ground state.

    Science.gov (United States)

    Spielberg, Eike T; Gilb, Aksana; Plaul, Daniel; Geibig, Daniel; Hornig, David; Schuch, Dirk; Buchholz, Axel; Ardavan, Arzhang; Plass, Winfried

    2015-04-06

    We present the synthesis and crystal structure of the trinuclear copper complex [Cu3(saltag)(bpy)3]ClO4·3DMF [H5saltag = tris(2-hydroxybenzylidene)triaminoguanidine; bpy = 2,2'-bipyridine]. The complex crystallizes in the trigonal space group R3̅, with all copper ions being crystallographically equivalent. Analysis of the temperature dependence of the magnetic susceptibility shows that the triaminoguanidine ligand mediates very strong antiferromagnetic interactions (JCuCu = -324 cm(-1)). Detailed analysis of the magnetic susceptibility and magnetization data as well as X-band electron spin resonance spectra, all recorded on both powdered samples and single crystals, show indications of neither antisymmetric exchange nor symmetry lowering, thus indicating only a very small splitting of the degenerate S = (1)/2 ground state. These findings are corroborated by density functional theory calculations, which explain both the strong isotropic and negligible antisymmetric exchange interactions.

  11. Efficient determination of the Markovian time-evolution towards a steady-state of a complex open quantum system

    Science.gov (United States)

    Jonsson, Thorsteinn H.; Manolescu, Andrei; Goan, Hsi-Sheng; Abdullah, Nzar Rauf; Sitek, Anna; Tang, Chi-Shung; Gudmundsson, Vidar

    2017-11-01

    Master equations are commonly used to describe time evolution of open systems. We introduce a general computationally efficient method for calculating a Markovian solution of the Nakajima-Zwanzig generalized master equation. We do so for a time-dependent transport of interacting electrons through a complex nano scale system in a photon cavity. The central system, described by 120 many-body states in a Fock space, is weakly coupled to the external leads. The efficiency of the approach allows us to place the bias window defined by the external leads high into the many-body spectrum of the cavity photon-dressed states of the central system revealing a cascade of intermediate transitions as the system relaxes to a steady state. The very diverse relaxation times present in the open system, reflecting radiative or non-radiative transitions, require information about the time evolution through many orders of magnitude. In our approach, the generalized master equation is mapped from a many-body Fock space of states to a Liouville space of transitions. We show that this results in a linear equation which is solved exactly through an eigenvalue analysis, which supplies information on the steady state and the time evolution of the system.

  12. Expanding rare-earth oxidation state chemistry to molecular complexes of holmium(II) and erbium(II).

    Science.gov (United States)

    MacDonald, Matthew R; Bates, Jefferson E; Fieser, Megan E; Ziller, Joseph W; Furche, Filipp; Evans, William J

    2012-05-23

    The first molecular complexes of holmium and erbium in the +2 oxidation state have been generated by reducing Cp'(3)Ln [Cp' = C(5)H(4)SiMe(3); Ln = Ho (1), Er (2)] with KC(8) in the presence of 18-crown-6 in Et(2)O at -35 °C under argon. Purification and crystallization below -35 °C gave isomorphous [(18-crown-6)K][Cp'(3)Ln] [Ln = Ho (3), Er (4)]. The three Cp' ring centroids define a trigonal-planar geometry around each metal ion that is not perturbed by the location of the potassium crown cation near one ring with K-C(Cp') distances of 3.053(8)-3.078(2) Å. The metrical parameters of the three rings are indistinguishable within the error limits. In contrast to Ln(2+) complexes of Eu, Yb, Sm, Tm, Dy, and Nd, 3 and 4 have average Ln-(Cp' ring centroid) distances only 0.029 and 0.021 Å longer than those of the Ln(3+) analogues 1 and 2, a result similar to that previously reported for the 4d(1) Y(2+) complex [(18-crown-6)K][Cp'(3)Y] (5) and the 5d(1) La(2+) complex [K(18-crown-6)(Et(2)O)][Cp″(3)La] [Cp″ = 1,3-(Me(3)Si)(2)C(5)H(3)]. Surprisingly, the UV-vis spectra of 3 and 4 are also very similar to that of 5 with two broad absorptions in the visible region, suggesting that 3-5 have similar electron configurations. Density functional theory calculations on the Ho(2+) and Er(2+) species yielded HOMOs that are largely 5d(z(2)) in character and supportive of 4f(10)5d(1) and 4f(11)5d(1) ground-state configurations, respectively.

  13. Current state and development trends of the agroindustrial complex and rural territories of Perm Region

    Directory of Open Access Journals (Sweden)

    Gennadiy Vladimirovich Klimenkov

    2011-12-01

    Full Text Available Analysis of regional agricultural sector status and rural areas of Perm in 1990-2011 years indicates a systemic crisis of agriculture in Perm region, which is largely determined by the fact that Perm region has no strategy or strategic plan and program for sustainable agricultural sector and rural areas of Perm region development, there is no scheme of territorial development and master plans of territorial development with the development of agro-industrial complex of Perm region. In these circumstances, there is a steady downward trend in production, weakening and bankruptcy of enterprises, social impoverishment of rural areas, appearance of many of irreversible processes (sale and neglect of agricultural land, demographic problems associated with low living standards, population migration, policy optimization in the areas of education and health, union of territories, policy of depopulation of territories etc.. This paper presents main recommendations for improving the situation in agriculture of Perm region.

  14. Contribution to the geochronology of the Lages alkaline complex, state of Santa Catarina, Brazil

    International Nuclear Information System (INIS)

    Scheibe, L.F.; Kawashita, K.; Barros Gomes, C. de

    1985-01-01

    Field evidences and petrogentic inferences at the Lages alkaline complex are indicative of a lithological sequence, considering a single petrogenetic linneage: ultrabasic alkaline rocks, porphyritic phonolites, agpaitic phonolites, analcite trachytes, carbonatites and pipe breccias. Eleven new K/Ar determinations, as well as six already available, show a major concentration in the 65 to 75 m.y. range, with a mode of Ca. 70 m.y. in place of the previously preferred K/Ar age of 65 m.y. for the complex. A Rb/Sr whole rock reference isochron diagram of analytical results for phonolites from the Serra da Chapada gives an age of 82 +- m.y. and an initial Sr 87 /Sr 86 ratio of 0.7060 +- 0.0015 which is in good agreement, considering the analytical error with the 0.7052 and 0.7056 +- 0.0014 ratios determined for the Sr-rich porphiritic nepheline syenites from the Cerro Alto de Cima. A hystogram of K/Ar ages shows a preference for older ages in the porphyritic nepheline syenites, while the phonolites prefer the 65-70 m.y. range. Most of the pipe breccias plot between 70 and 75 m.y. The two younger ages are for the olivine melilitite and the Janjao Kimberlite. Disregarding possible analitical imprecisions, these tendencies ractify the younger age for the agpaitic phonolites when compared to the porphyritic nepheline syenites, but do not fit with the petrogenetic scheme indicated above. This overall picture may suggest a revision of the proposed sequence or, alternatively, be interpreted as an indirect evidence that the determined K/Ar ages do not represent the crystallization age of these rocks, but later thermal events, as suggested by Kawashita et al. (1984) for the Pocos de Caldas massif. (D.J.M.) [pt

  15. Activation energies as the validity criterion of a model for complex reactions that can be in oscillatory states

    Directory of Open Access Journals (Sweden)

    Anić S.

    2007-01-01

    Full Text Available Modeling of any complex reaction system is a difficult task. If the system under examination can be in various oscillatory dynamic states, the apparent activation energies corresponding to different pathways may be of crucial importance for this purpose. In that case the activation energies can be determined by means of the main characteristics of an oscillatory process such as pre-oscillatory period, duration of the oscillatory period, the period from the beginning of the process to the end of the last oscillation, number of oscillations and others. All is illustrated on the Bray-Liebhafsky oscillatory reaction.

  16. Modeling of dielectric properties of complex fluids with an equation of state

    DEFF Research Database (Denmark)

    Maribo-Mogensen, Bjørn; Kontogeorgis, Georgios M.; Thomsen, Kaj

    2013-01-01

    permittivity) can be modeled simultaneously with thermodynamic properties. The static permittivity is calculated from an extension of the framework developed by Onsager, Kirkwood, and Fröhlich to associating mixtures. The thermodynamic properties are calculated from the cubic-plus-association (CPA) equation...... of state that includes the Wertheim association model as formulated in the statistical associating fluid theory (SAFT) to account for hydrogen bonding molecules. We show that, by using a simple description of the geometry of the association, we may calculate the Kirkwood g-factor as a function...

  17. Processes of globalization, economic policy and the role of state in raw materials and energy complex

    Directory of Open Access Journals (Sweden)

    Vladimír Vodzinský

    2009-09-01

    Full Text Available Authors dedicate this article to impacts of constrains in paradigm of potentials forming our society.As entire societies are assembled in certain pattern, this article is dedicated to reasoning why economical growth builton influence and a use of knowledge of the reasons would accelerate consumer orientation of reproduction cycle on the levelof ownership.Both of these, causes and reasons, result in aggravation of social order and ecological crises.End products of globalization and concomitant state economic policies do not lead to crisis solution nor do they lead to effectivedisappearance of their consequences.

  18. Intermolecular potential and rovibrational states of the H2O–D2 complex

    International Nuclear Information System (INIS)

    Avoird, Ad van der; Scribano, Yohann; Faure, Alexandre; Weida, Miles J.; Fair, Joanna R.; Nesbitt, David J.

    2012-01-01

    Graphical abstract: H 2 O–D 2 potential surface and pH 2 O–oD 2 ground state wave function, for planar geometries. Highlights: ► The interaction between H 2 O and H 2 is of great astrophysical interest. ► The rovibrational states of H 2 O–D 2 were computed on an ab initio potential surface. ► Results are compared with the rovibrational states of H 2 O–H 2 computed recently. ► We measured the high-resolution infrared spectrum of H 2 O–D 2 in the H 2 O bend region. ► Comparison with the calculations provides information on H 2 O–H 2 potential surface. - Abstract: A five-dimensional intermolecular potential for H 2 O–D 2 was obtained from the full nine-dimensional ab initio potential surface of Valiron et al. [P. Valiron, M. Wernli, A. Faure, L. Wiesenfeld, C. Rist, S. Kedžuch, J. Noga, J. Chem. Phys. 129 (2008) 134306] by averaging over the ground state vibrational wave functions of H 2 O and D 2 . On this five-dimensional potential with a well depth D e of 232.12 cm −1 we calculated the bound rovibrational levels of H 2 O–D 2 for total angular momentum J = 0–3. The method used to compute the rovibrational levels is similar to a scattering approach—it involves a basis of coupled free rotor wave functions for the hindered internal rotations and the overall rotation of the dimer—while it uses a discrete variable representation of the intermolecular distance coordinate R. The basis was adapted to the permutation symmetry associated with the para/ortho (p/o) nature of both H 2 O and D 2 , as well as to inversion symmetry. As expected, the H 2 O–D 2 dimer is more strongly bound than its H 2 O–H 2 isotopologue [cf. A. van der Avoird, D.J. Nesbitt, J. Chem. Phys. 134 (2011) 044314], with dissociation energies D 0 of 46.10, 50.59, 67.43, and 73.53 cm −1 for pH 2 O–oD 2 , oH 2 O–oD 2 , pH 2 O–pD 2 , and oH 2 O–pD 2 . A rotationally resolved infrared spectrum of H 2 O–D 2 was measured in the frequency region of the H 2 O bend

  19. Molecular dynamics simulation of bovine pancreatic ribonuclease A-CpA and transition state-like complexes.

    Science.gov (United States)

    Formoso, Elena; Matxain, Jon M; Lopez, Xabier; York, Darrin M

    2010-06-03

    The mechanisms of enzymes are intimately connected with their overall structure and dynamics in solution. Experimentally, it is considerably challenging to provide detailed atomic level information about the conformational events that occur at different stages along the chemical reaction path. Here, theoretical tools may offer new potential insights that complement those obtained from experiments that may not yield an unambiguous mechanistic interpretation. In this study, we apply molecular dynamics simulations of bovine pancreatic ribonuclease A, an archetype ribonuclease, to study the conformational dynamics, structural relaxation, and differential solvation that occur at discrete stages of the transesterification and cleavage reaction. Simulations were performed with explicit solvation with rigorous electrostatics and utilize recently developed molecular mechanical force field parameters for transphosphorylation and hydrolysis transition state analogues. Herein, we present results for the enzyme complexed with the dinucleotide substrate cytidilyl-3',5'-adenosine (CpA) in the reactant, and transphosphorylation and hydrolysis transition states. A detailed analysis of active site structures and hydrogen-bond patterns is presented and compared. The integrity of the overall backbone structure is preserved in the simulations and supports a mechanism whereby His12 stabilizes accumulating negative charge at the transition states through hydrogen-bond donation to the nonbridge oxygens. Lys41 is shown to be highly versatile along the reaction coordinate and can aid in the stabilization of the dianionic transition state, while being poised to act as a general acid catalyst in the hydrolysis step.

  20. Hydrologic consistency as a basis for assessing complexity of monthly water balance models for the continental United States

    Science.gov (United States)

    Martinez, Guillermo F.; Gupta, Hoshin V.

    2011-12-01

    Methods to select parsimonious and hydrologically consistent model structures are useful for evaluating dominance of hydrologic processes and representativeness of data. While information criteria (appropriately constrained to obey underlying statistical assumptions) can provide a basis for evaluating appropriate model complexity, it is not sufficient to rely upon the principle of maximum likelihood (ML) alone. We suggest that one must also call upon a "principle of hydrologic consistency," meaning that selected ML structures and parameter estimates must be constrained (as well as possible) to reproduce desired hydrological characteristics of the processes under investigation. This argument is demonstrated in the context of evaluating the suitability of candidate model structures for lumped water balance modeling across the continental United States, using data from 307 snow-free catchments. The models are constrained to satisfy several tests of hydrologic consistency, a flow space transformation is used to ensure better consistency with underlying statistical assumptions, and information criteria are used to evaluate model complexity relative to the data. The results clearly demonstrate that the principle of consistency provides a sensible basis for guiding selection of model structures and indicate strong spatial persistence of certain model structures across the continental United States. Further work to untangle reasons for model structure predominance can help to relate conceptual model structures to physical characteristics of the catchments, facilitating the task of prediction in ungaged basins.

  1. State-of-the-art and main options to improve fuel-energy complex of ferrous metallurgy

    Energy Technology Data Exchange (ETDEWEB)

    Rozenblit, G I; Pashkov, V D; Romanov, G M

    1981-01-01

    In 1980, the State Institute for the Design and Planning Metallury (Gripromez), elaborated ''The main options of Fuel and energy resources conservation (FERG) in ferrous metallurgy of the USSR program of works for the period 1981-1985 and up to 1990''. The Gipromez technical committee recommended: 1) elaborating feasibility studies and reports, developing branch schemes and starting complexes to separate out FERC measures; 2) inclusion of the FERC measures at the starting complexes as the first stages of main projects construction; 3) that the Ministy of Ferrous Metallurgy of the USSR, general designers and enterprises reconsider the starting complexes of the projects constructed during the present five-year period and incorporate in them the urgent FERC actions on heat-utilizing facilities. Changing the steel smelting process structure through more extensive use of the converter process and installation of continuous blank casting allows achievement of considerable fuel conservation, some 4 m trf per year as compared with its consumption in the scheme of open-hearth furnace - blooming mill (slabbing mill). During the 11th five-year-plan period introduction of metallurgy plant. An installation with discharge of the converter gas without its afterburning and successive utilization as a fuel in the converter shop of the Novolipetsk is planned.

  2. Effect of carbazole-oxadiazole excited-state complexes on the efficiency of dye-doped light-emitting diodes

    Science.gov (United States)

    Jiang, Xuezhong; Register, Richard A.; Killeen, Kelly A.; Thompson, Mark E.; Pschenitzka, Florian; Hebner, Thomas R.; Sturm, James C.

    2002-05-01

    Interactions between hole-transporting carbazole groups and electron-transporting 1,3,4-oxadiazole groups were studied by photoluminescence and electroluminescence (EL) spectroscopy, in blends of poly(N-vinylcarbazole) with 2-tert-butylphenyl-5-biphenyl-1,3,4-oxadiazole (PVK:PBD) and in random copolymers with carbazole and oxadiazole groups attached as side chains. Different excited-state complexes form in the blends, which exhibit exciplexes, and in the copolymers, which manifest electroplexes, due to topological constraints on the position of carbazole and oxadiazole units in the polymer. Both types of complex red-shift the EL spectra of the matrices compared with pure PVK homopolymer, although the shift is significantly greater for the electroplex. The presence of these complexes has a profound effect on the external quantum efficiency of dye-doped organic light-emitting diodes employing the blends or copolymers as matrices, as it strongly affects the efficiency of Förster energy transfer from the matrix to the dye. Single-layer devices doped with either coumarin 47 (C47), coumarin 6 (C6), or nile red (NR) were compared. Among the three dye-doped PVK:PBD devices, C6 doping yields the highest efficiency, while NR doping produced the most efficient copolymer devices, consistent with the degree of overlap between the EL spectrum of the matrix material and the absorption spectrum of the dye.

  3. Complex forest dynamics indicate potential for slowing carbon accumulation in the southeastern United States.

    Science.gov (United States)

    Coulston, John W; Wear, David N; Vose, James M

    2015-01-23

    Over the past century forest regrowth in Europe and North America expanded forest carbon (C) sinks and offset C emissions but future C accumulation is uncertain. Policy makers need insights into forest C dynamics as they anticipate emissions futures and goals. We used land use and forest inventory data to estimate how forest C dynamics have changed in the southeastern United States and attribute changes to land use, management, and disturbance causes. From 2007-2012, forests yielded a net sink of C because of net land use change (+6.48 Tg C yr(-1)) and net biomass accumulation (+75.4 Tg C yr(-1)). Forests disturbed by weather, insect/disease, and fire show dampened yet positive forest C changes (+1.56, +1.4, +5.48 Tg C yr(-1), respectively). Forest cutting caused net decreases in C (-76.7 Tg C yr(-1)) but was offset by forest growth (+143.77 Tg C yr(-1)). Forest growth rates depend on age or stage of development and projected C stock changes indicate a gradual slowing of carbon accumulation with anticipated forest aging (a reduction of 9.5% over the next five years). Additionally, small shifts in land use transitions consistent with economic futures resulted in a 40.6% decrease in C accumulation.

  4. Dynamic translocation of ligand-complexed DNA through solid-state nanopores with optical tweezers

    International Nuclear Information System (INIS)

    Sischka, Andy; Spiering, Andre; Anselmetti, Dario; Khaksar, Maryam; Laxa, Miriam; Koenig, Janine; Dietz, Karl-Josef

    2010-01-01

    We investigated the threading and controlled translocation of individual lambda-DNA (λ-DNA) molecules through solid-state nanopores with piconewton force sensitivity, millisecond time resolution and picoampere ionic current sensitivity with a set-up combining quantitative 3D optical tweezers (OT) with electrophysiology. With our virtually interference-free OT set-up the binding of RecA and single peroxiredoxin protein molecules to λ-DNA was quantitatively investigated during dynamic translocation experiments where effective forces and respective ionic currents of the threaded DNA molecule through the nanopore were measured during inward and outward sliding. Membrane voltage-dependent experiments of reversible single protein/DNA translocation scans yield hysteresis-free, asymmetric single-molecule fingerprints in the measured force and conductance signals that can be attributed to the interplay of optical trap and electrostatic nanopore potentials. These experiments allow an exact localization of the bound protein along the DNA strand and open fascinating applications for label-free detection of DNA-binding ligands, where structural and positional binding phenomena can be investigated at a single-molecule level.

  5. State stiffness parameters of the vascular wall in hypertensive patients complex therapy cytoprotector and sartans

    Directory of Open Access Journals (Sweden)

    V. P. Mikhin

    2015-01-01

    Full Text Available A randomized study of the state of stiffness parameters arteries wall (CAVI — cardio-ankle vascular index, AI (augmentation index PEP (duration of the voltage of the left ventricle using «VaSera-1000» («Fukuda Denshi», Japan in primary hypertension patients (80 not treated with systemic antihypertensive therapy. The effect of long-term (3 months was be marketed. Losartan combined with Mexicor 300mg/day or mildronate 1000 mg/day for the specified parameters. It sets the initial reduction the properties of the arterial wall in patients with hypertension, in contrast to healthy individuals. Mexicor or mildronat accompanied by improvement east-cal properties of the arterial wall, reducing CAVI and AI in 3 months on 9.4% and 8.9%, 14.9% and 15.4%, respectively. In the control group-term change CAVI and AI no. Mexicor led to a more pronounced increase in PEP, than mildronate, respectively, on 23.7% and 18.9%. Losartan monotherapy results in a less pronounced decrease in the stiffness of the vessel wall.

  6. A new method to study complex materials in solid state chemistry: application to chalcogenide materials

    International Nuclear Information System (INIS)

    Lippens, P.E.; Olivier-Fourcade, J.; Jumas, J.C.

    1998-01-01

    We show that a combined application of Moessbauer spectroscopy and other experimental tools such as X-ray photoelectron spectroscopy, X-ray absorption spectroscopy and nuclear magnetic resonance provides a coherent picture of the local electronic structure in chalcogenide materials. In order to develop this idea we propose an analysis of the Sn, Sb and Te local electronic structures for three different systems of materials. The first example concerns the In-Sn-S system. We show that Li insertion in In 16 Sn 4 S 32 leads to changes of the Sn oxidation states from Sn(IV) to Sn(II). The second example concerns materials of the Tl-Sb-S system. We show that variations of the 121 Sb Moessbauer isomer shift and surface of the first peak of the X-ray absorption spectra at the Sb L III edge can be linearly correlated because of the main influence of the Sb 5s electrons. This is explained by changes in the local environment of the Sb atoms. The last example concerns the crystalline phases of the Tl-Sn-Te system. The formal oxidation numbers of the Te atoms are determined from 125 Te Moessbauer spectroscopy and X-ray photoelectron spectroscopy. They are related to the different types of bonds involving the Te atoms in the Tl-Sn-Te compounds

  7. Complex step-based low-rank extended Kalman filtering for state-parameter estimation in subsurface transport models

    KAUST Repository

    El Gharamti, Mohamad; Hoteit, Ibrahim

    2014-01-01

    The accuracy of groundwater flow and transport model predictions highly depends on our knowledge of subsurface physical parameters. Assimilation of contaminant concentration data from shallow dug wells could help improving model behavior, eventually resulting in better forecasts. In this paper, we propose a joint state-parameter estimation scheme which efficiently integrates a low-rank extended Kalman filtering technique, namely the Singular Evolutive Extended Kalman (SEEK) filter, with the prominent complex-step method (CSM). The SEEK filter avoids the prohibitive computational burden of the Extended Kalman filter by updating the forecast along the directions of error growth only, called filter correction directions. CSM is used within the SEEK filter to efficiently compute model derivatives with respect to the state and parameters along the filter correction directions. CSM is derived using complex Taylor expansion and is second order accurate. It is proven to guarantee accurate gradient computations with zero numerical round-off errors, but requires complexifying the numerical code. We perform twin-experiments to test the performance of the CSM-based SEEK for estimating the state and parameters of a subsurface contaminant transport model. We compare the efficiency and the accuracy of the proposed scheme with two standard finite difference-based SEEK filters as well as with the ensemble Kalman filter (EnKF). Assimilation results suggest that the use of the CSM in the context of the SEEK filter may provide up to 80% more accurate solutions when compared to standard finite difference schemes and is competitive with the EnKF, even providing more accurate results in certain situations. We analyze the results based on two different observation strategies. We also discuss the complexification of the numerical code and show that this could be efficiently implemented in the context of subsurface flow models. © 2013 Elsevier B.V.

  8. Complex step-based low-rank extended Kalman filtering for state-parameter estimation in subsurface transport models

    KAUST Repository

    El Gharamti, Mohamad

    2014-02-01

    The accuracy of groundwater flow and transport model predictions highly depends on our knowledge of subsurface physical parameters. Assimilation of contaminant concentration data from shallow dug wells could help improving model behavior, eventually resulting in better forecasts. In this paper, we propose a joint state-parameter estimation scheme which efficiently integrates a low-rank extended Kalman filtering technique, namely the Singular Evolutive Extended Kalman (SEEK) filter, with the prominent complex-step method (CSM). The SEEK filter avoids the prohibitive computational burden of the Extended Kalman filter by updating the forecast along the directions of error growth only, called filter correction directions. CSM is used within the SEEK filter to efficiently compute model derivatives with respect to the state and parameters along the filter correction directions. CSM is derived using complex Taylor expansion and is second order accurate. It is proven to guarantee accurate gradient computations with zero numerical round-off errors, but requires complexifying the numerical code. We perform twin-experiments to test the performance of the CSM-based SEEK for estimating the state and parameters of a subsurface contaminant transport model. We compare the efficiency and the accuracy of the proposed scheme with two standard finite difference-based SEEK filters as well as with the ensemble Kalman filter (EnKF). Assimilation results suggest that the use of the CSM in the context of the SEEK filter may provide up to 80% more accurate solutions when compared to standard finite difference schemes and is competitive with the EnKF, even providing more accurate results in certain situations. We analyze the results based on two different observation strategies. We also discuss the complexification of the numerical code and show that this could be efficiently implemented in the context of subsurface flow models. © 2013 Elsevier B.V.

  9. Compact state-space models for complex superconducting radio-frequency structures based on model order reduction and concatenation methods

    International Nuclear Information System (INIS)

    Flisgen, Thomas

    2015-01-01

    The modeling of large chains of superconducting cavities with couplers is a challenging task in computational electrical engineering. The direct numerical treatment of these structures can easily lead to problems with more than ten million degrees of freedom. Problems of this complexity are typically solved with the help of parallel programs running on supercomputing infrastructures. However, these infrastructures are expensive to purchase, to operate, and to maintain. The aim of this thesis is to introduce and to validate an approach which allows for modeling large structures on a standard workstation. The novel technique is called State-Space Concatenations and is based on the decomposition of the complete structure into individual segments. The radio-frequency properties of the generated segments are described by a set of state-space equations which either emerge from analytical considerations or from numerical discretization schemes. The model order of these equations is reduced using dedicated model order reduction techniques. In a final step, the reduced-order state-space models of the segments are concatenated in accordance with the topology of the complete structure. The concatenation is based on algebraic continuity constraints of electric and magnetic fields on the decomposition planes and results in a compact state-space system of the complete radio-frequency structure. Compared to the original problem, the number of degrees of freedom is drastically reduced, i.e. a problem with more than ten million degrees of freedom can be reduced on a standard workstation to a problem with less than one thousand degrees of freedom. The final state-space system allows for determining frequency-domain transfer functions, field distributions, resonances, and quality factors of the complete structure in a convenient manner. This thesis presents the theory of the state-space concatenation approach and discusses several validation and application examples. The examples

  10. Efeito da Gliricidia sepium sobre nutrientes do solo, microclima e produtividade do milho em sistema agroflorestal no Agreste Paraibano Effects of Gliricidia sepium on soil nutrients, microclimate and maize yield in an agroforestry system in semi-arid Paraiba, Brazil

    Directory of Open Access Journals (Sweden)

    Aldrin Martin Pérez Marin

    2006-06-01

    Northeastern semi-arid region of Brazil because of its good development under water stress conditions. However, little information is available on the effects of the introduction of this species into regional agroecosystems. The objective of the present study was to evaluate the influence of the distance of Gliricidia sepium plants on the characteristics of maize crop, soil properties and microclimate conditions in the semi-arid region of Paraiba, Brazil. The study was conducted in the Esperança County, Paraíba State, Brazil., where G. sepium trees were planted on a 0.5 ha field in 1996. The spacing used was 6 m between rows and 1 m between plants within the rows. In 2002, four 48 m² plots were established within this field. Within each plot, three sampling positions were established: (1 under tree crowns in the rows (0 m; (2 1 m apart from tree rows; and (3 3 m apart from the tree rows. The experiment had a randomized block design with four replications. Litterfall dry matter amounted to 1.390 kg ha-1 under the trees and decreased to 270 kg ha-1 at a distance of 3 m from the trees. Soil P, K and light fraction of organic matter were significantly greater under the trees as compared to those between the tree rows. Soil and air monthly minimum temperature averages were not influenced by the distance from the trees. However, soil and air monthly maximum temperature averages were 6 and 2 °C lower under the trees, respectively. Soil moisture was significantly lower under the trees as compared to positions 1 and 3 m away from tree rows. Maize grain and straw yields as well as nutrient accumulation were higher under the trees and decreased with increasing the distance from the trees.

  11. From ground state to fission fragments: A complex, multi-dimensional multi-path problem

    International Nuclear Information System (INIS)

    Moeller, P.; Nix, J.R.; Swiatecki, W.J.

    1992-01-01

    Experimental results on the fission properties of nuclei close to 264 Fm show sudden and large changes with a change of only one or two neutrons or protons. The nucleus 258 Fm, for instance, undergoes symmetric fission with a half-life of about 0.4 ms and a kinetic-energy distribution peaked at about 235 MeV whereas 256 Fm undergoes asymmetric fission with a half-life of about 3 h and a kinetic-energy distribution peaked at about 200 MeV. Qualitatively, these sudden changes have been postulated to be due to the emergence of fragment shells in symmetric-fission products close to 132 Sn. Here we present a quantitative calculation that shows where high-kinetic-energy symmetric fusion occurs and why it is associated with a sudden and large decrease in fission half-lives. We base our study on calculations of potential-energy surfaces in the macroscopic-microscopic model and a semi-empirical model for the nuclear inertia. We use the three-quadratic-surface parameterization to generate the shapes for which the potential-energy surfaces are calculated. The use of this parameterization and the use of the finite-range macroscopic model allows for the study of two touching spheres and similar shapes. Since these shapes are thought to correspond to the scission shapes for the high-kinetic-energy events it is of crucial importance that a continuous sequence of shapes leading from the nuclear ground state to these configurations can be studied within the framework of the model. We present the results of the calculations in terms of potential-energy surfaces and fission half-lives for heavy even nuclei. The surfaces are displayed in the form of contour diagrams as functions of two moments of the shape. They clearly show the appearance of a second fission valley, which leads to scission configurations close to tow touching spheres, for fissioning systems in the vicinity of 264 Fm

  12. Observation of the long-lived triplet excited state of perylenebisimide (PBI) in C^N cyclometalated Ir(III) complexes and application in photocatalytic oxidation.

    Science.gov (United States)

    Sun, Jifu; Zhong, Fangfang; Zhao, Jianzhang

    2013-07-14

    Perylenebisimide (PBI) was used to prepare C^N cyclometalated Ir(III) complexes that show strong absorption of visible light and it is the first time the long-lived triplet excited state of PBI chromophore was observed in a transition metal complex (τT = 22.3 μs). Previously, the lifetime of the triplet state of PBI in transition metal complexes was usually shorter than 1.0 μs. Long-lived triplet excited states are useful for applications in photocatalysis or other photophysical processes concerning triplet-triplet-energy-transfer. PBI and amino-PBI were used for preparation of cyclometalated Ir(III) complexes (Ir-2 and Ir-3), in which the PBI chromophore was connected to the coordination center via C≡C π-conjugation bond. The new complexes show strong absorption in visible region (ε = 34,200 M(-1) cm(-1) at 541 nm for Ir-2, and ε = 19,000 at 669 nm for Ir-3), compared to the model complex Ir(ppy)(bpy)[PF6] Ir-1 (ε PBI-localized long-lived (3)IL states were populated for Ir-2 and Ir-3 upon photoexcitation. The complexes were used as triplet photosensitizers for (1)O2-mediated photooxidation of 1,5-dihydronaphthalene to produce juglone, an important intermediate for preparation of anti-cancer compounds. (1)O2 quantum yields (Φ(Δ)) up to 91% were observed for the new Ir(III) complexes and the overall photosensitizing ability is much higher than the conventional Ir(III) complex Ir-1, which shows the typical weak visible light absorption in visible region. Our results are useful for preparation of transition metal complexes that show strong absorption of visible light and long-lived triplet excited state and for the application of these complexes in photocatalysis.

  13. Genetic variation in populations of Culicoides variipennis complex in the six New England states, U.S.A.

    Science.gov (United States)

    Holbrook, F R; Tabachnick, W J; Brady, R

    1996-04-01

    We investigated the identity and distribution of members of the Culicoides variipennis complex in the six New England states of the U.S.A., a region where bluetongue transmission has not been detected. Analyses of seven polymorphic isozyme-encoding loci showed that only C.v.variipennis, not considered to be a vector of the bluetongue viruses, was present. The populations of C.v.variipennis were significantly more hetero-zygous than C.v.sonorensis and C.v.occidentalis populations from similar studies in the state of California. Estimates of genetic diversity among populations of C.v.variipennis in New England were similar to C.v.sonorensis in the state of Colorado, but were significantly more genetically divergent than California populations of C.v.occidentalis. The impact of these findings on the status of New England as a possible bluetongue-free region for the purpose of international trade in ruminant livestock and their germplasm is discussed.

  14. The study of the functional state of the endothelium via a complex of markers with reactive hyperemia

    Directory of Open Access Journals (Sweden)

    Berezhniy V.

    2016-03-01

    Full Text Available Diagnosis of endothelial dysfunction is a key point in the prevention and treatment of cardiovascular diseases. In scientific research the study of the state of the endothelium used test with reactive hyperemia of brachial artery wich present as the value of endothelium dependent and independent artery dilatation. However, the disadvantage of this marker is ignoring the size of arteries, well know that small arteries has a greater degree of dilation more than big arterias, this fact making difficult to compare results between different patients. The aim of our study was to examine the state of endothelium using a complex of markers, compare them informative in children with JRA who are at risk for the development of endothelial dysfunction. Materials and Methods. The study was included 40 children with juvenile rheumatoid arthritis who were treated at the department of children's cardiorheumatology Kyiv City Children's Hospital #1 and Kiev Regional Hospital m. Boyarka. Results. The study found a development of endothelial dysfunction changes in endothelium dependent vasodilation, reactive hyperemia and coefficient of vasodilation. Simultaneous marked change of endothelium vasodilation of the brachial artery and coefficient of vasodilatation. There were no pathological changes in endothelial shear stress in patients compared with healthy children. Conclusions. Evaluate the state of the endothelium is necessary with the help of a set of indicators (RH, EDVD, VC that will help to avoid diagnostic mistakes during the test with the reactive hyperemia.

  15. Communication: Evaluating non-empirical double hybrid functionals for spin-state energetics in transition-metal complexes

    Science.gov (United States)

    Wilbraham, Liam; Adamo, Carlo; Ciofini, Ilaria

    2018-01-01

    The computationally assisted, accelerated design of inorganic functional materials often relies on the ability of a given electronic structure method to return the correct electronic ground state of the material in question. Outlining difficulties with current density functionals and wave function-based approaches, we highlight why double hybrid density functionals represent promising candidates for this purpose. In turn, we show that PBE0-DH (and PBE-QIDH) offers a significant improvement over its hybrid parent functional PBE0 [as well as B3LYP* and coupled cluster singles and doubles with perturbative triples (CCSD(T))] when computing spin-state splitting energies, using high-level diffusion Monte Carlo calculations as a reference. We refer to the opposing influence of Hartree-Fock (HF) exchange and MP2, which permits higher levels of HF exchange and a concomitant reduction in electronic density error, as the reason for the improved performance of double-hybrid functionals relative to hybrid functionals. Additionally, using 16 transition metal (Fe and Co) complexes, we show that low-spin states are stabilised by increasing contributions from MP2 within the double hybrid formulation. Furthermore, this stabilisation effect is more prominent for high field strength ligands than low field strength ligands.

  16. pH-Dependent spin state population and 19F NMR chemical shift via remote ligand protonation in an iron(ii) complex.

    Science.gov (United States)

    Gaudette, Alexandra I; Thorarinsdottir, Agnes E; Harris, T David

    2017-11-30

    An Fe II complex that features a pH-dependent spin state population, by virtue of a variable ligand protonation state, is described. This behavior leads to a highly pH-dependent 19 F NMR chemical shift with a sensitivity of 13.9(5) ppm per pH unit at 37 °C, thereby demonstrating the potential utility of the complex as a 19 F chemical shift-based pH sensor.

  17. Spin state of mixed crystals of iron with zinc or cobalt for the assembled complexes bridged by 1,3-bis(4-pyridyl)propanes

    International Nuclear Information System (INIS)

    Nakashima, S; Dote, T; Atsuchi, M; Inoue, K

    2010-01-01

    Mixed crystals, [Fe 1-x M x (NCX) 2 (bpp) 2 ] (M=Zn, Co; X=S, Se; bpp1,3-bis(4-pyridyl)propane), had a similar structure with 2D interpenetrated structure of [Fe(NCX) 2 (bpp) 2 ]. The proportion of Fe II low-spin state in the mixed crystals of NCSe complex increased compared with that of the corresponding Fe complex, while such change in the Moessbauer spectra was not observed in the NCS complex.

  18. The Complex Spin State of 103P-Hartley 2: Kinematics and Orientation in Space

    Science.gov (United States)

    Belton, Michael J. S.; Thomas, Peter; Li, Jian-Yang; Williams, Jade; Carcich, Brian; A'Hearn, Michael F.; McLaughlin, Stephanie; Farnham, Tony; McFadden, Lucy; Lisse, Carey M.; hide

    2013-01-01

    We derive the spin state of the nucleus of Comet 103P/Hartley 2, its orientation in space, and its short-term temporal evolution from a mixture of observations taken from the DIXI (Deep Impact Extended Investigation) spacecraft and radar observations. The nucleus is found to spin in an excited long-axis mode (LAM) with its rotational angular momentum per unit mass, M, and rotational energy per unit mass, E, slowly decreasing while the degree of excitation in the spin increases through perihelion passage. M is directed toward (RA, Dec; J2000) = 8+/-+/- 4 deg., 54 +/- 1 deg. (obliquity = 48 +/- 1 deg.). This direction is likely changing, but the change is probably <6 deg. on the sky over the approx. 81.6 days of the DIXI encounter. The magnitudes of M and E at closest approach (JD 2455505.0831866 2011-11-04 13:59:47.310) are 30.0 +/- 0.2 sq. m/s and (1.56 +/- 0.02) X 10(exp -3) sq. m /sq. s respectively. The period of rotation about the instantaneous spin vector, which points in the direction (RA, Dec; J2000) = 300 +/- 3.2deg., 67 +/- 1.3 deg. at the time of closest approach, was 14.1 +/- 0.3 h. The instantaneous spin vector circulates around M, inclined at an average angle of 33.2 +/- 1.3 deg. with an average period of 18.40 +/- 0.13 h at the time of closest approach. The period of roll around the principal axis of minimum inertia (''long'' axis) at that time is 26.72 +/- 0.06 h. The long axis is inclined to M by approx. 81.2 +/- 0.6 deg. on average, slowly decreasing through encounter. We infer that there is a periodic nodding motion of the long axis with half the roll period, i.e., 13.36+/- 0.03 h, with amplitude of 1 again decreasing through encounter. The periodic variability in the circulation and roll rates during a cycle was at the 2% and 10-14% level respectively. During the encounter there was a secular lengthening of the circulation period of the long axis by 1.3 +/- 0.2 min/d, in agreement with ground-based estimates, while the period of roll around the

  19. Characterizing highly dynamic conformational states: The transcription bubble in RNAP-promoter open complex as an example

    Science.gov (United States)

    Lerner, Eitan; Ingargiola, Antonino; Weiss, Shimon

    2018-03-01

    Bio-macromolecules carry out complicated functions through structural changes. To understand their mechanism of action, the structure of each step has to be characterized. While classical structural biology techniques allow the characterization of a few "structural snapshots" along the enzymatic cycle (usually of stable conformations), they do not cover all (and often fast interconverting) structures in the ensemble, where each may play an important functional role. Recently, several groups have demonstrated that structures of different conformations in solution could be solved by measuring multiple distances between different pairs of residues using single-molecule Förster resonance energy transfer (smFRET) and using them as constrains for hybrid/integrative structural modeling. However, this approach is limited in cases where the conformational dynamics is faster than the technique's temporal resolution. In this study, we combine existing tools that elucidate sub-millisecond conformational dynamics together with hybrid/integrative structural modeling to study the conformational states of the transcription bubble in the bacterial RNA polymerase-promoter open complex (RPo). We measured microsecond alternating laser excitation-smFRET of differently labeled lacCONS promoter dsDNA constructs. We used a combination of burst variance analysis, photon-by-photon hidden Markov modeling, and the FRET-restrained positioning and screening approach to identify two conformational states for RPo. The experimentally derived distances of one conformational state match the known crystal structure of bacterial RPo. The experimentally derived distances of the other conformational state have characteristics of a scrunched RPo. These findings support the hypothesis that sub-millisecond dynamics in the transcription bubble are responsible for transcription start site selection.

  20. Ultrafast excited-state relaxation of a binuclear Ag(i) phosphine complex in gas phase and solution.

    Science.gov (United States)

    Kruppa, S V; Bäppler, F; Klopper, W; Walg, S P; Thiel, W R; Diller, R; Riehn, C

    2017-08-30

    The binuclear complex [Ag 2 (dcpm) 2 ](PF 6 ) 2 (dcpm = bis(dicyclohexylphosphino)methane) exhibits a structure with a close silver-silver contact mediated by the bridging ligand and thus a weak argentophilic interaction. Upon electronic excitation this cooperative effect is strongly increased and determines the optical and luminescence properties of the compound. We have studied here the ultrafast electronic dynamics in parallel in gas phase by transient photodissociation and in solution by transient absorption. In particular, we report the diverse photofragmentation pathways of isolated [Ag 2 (dcpm) 2 ] 2+ in an ion trap and its gas phase UV photodissociation spectrum. By pump-probe fragmentation action spectroscopy (λ ex = 260 nm) in the gas phase, we have obtained fragment-specific transients which exhibit a common ultrafast multiexponential decay. This is fitted to four time constants (0.6/5.8/100/>1000 ps), highlighting complex intrinsic photophysical processes. Remarkably, multiexponential dynamics (0.9/8.5/73/604 ps) are as well found for the relaxation dynamics in acetonitrile solution. Ab initio calculations at the level of approximate coupled-cluster singles-doubles (CC2) theory of ground and electronically excited states of the reduced model system [Ag 2 (dmpm) 2 ] 2+ (dmpm = bis(dimethylphosphino)methane) indicate a shortening of the Ag-Ag distance upon excitation by 0.3-0.4 Å. In C 2 geometry two close-lying singlet states S 1 ( 1 MC(dσ*-pπ), 1 B, 4.13 eV) and S 2 ( 1 MC(dσ*-pσ), 1 A, 4.45 eV) are found. The nearly dark S 1 state has not been reported so far. The excitation of the S 2 state carries a large oscillator strength for the calculated vertical transition (266 nm). Two related triplets are calculated at T 1 (3.87 eV) and T 2 (3.90 eV). From these findings we suggest possible relaxation pathways with the two short time constants ascribed to ISC/IVR and propose from the obtained similar values in gas phase that the fast solution dynamics

  1. Application of the cubic-plus-association (CPA) equation of state to complex mixtures with aromatic hydrocarbons

    DEFF Research Database (Denmark)

    Folas, Georgios; Kontogeorgis, Georgios; Michelsen, Michael Locht

    2006-01-01

    The cubic-plus-association (CPA) equation of state is applied to phase equilibria of mixtures containing alcohols, glycols, water, and aromatic or olefinic hydrocarbons. Previously, CPA has been successfully used for mixtures containing various associating compounds (alcohols, glycols, amines......, organic acids, and water) and aliphatic hydrocarbons. We show in this work that the model can be satisfactorily extended to complex vapor-liquid-liquid equilibria with aromatic or olefinic hydrocarbons. The solvation between aromatics/olefinics and polar compounds is accounted for. This is particularly...... important for mixtures containing water and glycols, but less so for mixtures with alcohols. For water/hydrocarbons, a single binary interaction parameter which accounts for the solvation is fitted to the experimental liquid-liquid equilibria (LLE) data. The interaction parameter of the physical term...

  2. Complex-envelope alternating-direction-implicit FDTD method for simulating active photonic devices with semiconductor/solid-state media.

    Science.gov (United States)

    Singh, Gurpreet; Ravi, Koustuban; Wang, Qian; Ho, Seng-Tiong

    2012-06-15

    A complex-envelope (CE) alternating-direction-implicit (ADI) finite-difference time-domain (FDTD) approach to treat light-matter interaction self-consistently with electromagnetic field evolution for efficient simulations of active photonic devices is presented for the first time (to our best knowledge). The active medium (AM) is modeled using an efficient multilevel system of carrier rate equations to yield the correct carrier distributions, suitable for modeling semiconductor/solid-state media accurately. To include the AM in the CE-ADI-FDTD method, a first-order differential system involving CE fields in the AM is first set up. The system matrix that includes AM parameters is then split into two time-dependent submatrices that are then used in an efficient ADI splitting formula. The proposed CE-ADI-FDTD approach with AM takes 22% of the time as the approach of the corresponding explicit FDTD, as validated by semiconductor microdisk laser simulations.

  3. Similar Transition States Mediate the Q-cycle and Superoxide Production by the Cytochrome bc1 Complex

    International Nuclear Information System (INIS)

    Forquer, Isaac P.; Covian, Raul; Bowman, Michael K.; Trumpower, Bernard; Kramer, David M.

    2006-01-01

    The cytochrome bc complexes found in mitochondria, chloroplasts and many bacteria catalyze a critical reaction in their respective electron transport chains. The quinol oxidase (Qo) site in this complex oxidizes a hydroquinone (quinol), reducing two one-electron carriers, a low-potential cytochrome b heme and a ''Rieske'' iron-sulfur cluster. The overall electron transfer reactions are coupled to transmembrane translocation of protons via a ''Q-cycle'' mechanism, which generates proton motive force for ATP synthesis. Since semiquinone intermediates of quinol oxidation are generally highly reactive, one of the key questions in this field is: how does the Qo site oxidize quinol without the production of deleterious side reactions including superoxide production? We attempt to test three possible general models to account for this behavior: (1) The Qo site semiquinone (or quinol:imidazolate complex) is unstable and thus occurs at a very low steady-state concentration, limiting O2 reduction; (2) the Qo site semiquinone is highly stabilized making it unreactive towards oxygen; and (3) the Qo site catalyzes a quantum mechanically-coupled two-electron/two proton transfer without a semiquinone intermediate. Enthalpies of activation were found to be almost identical between the uninhibited Q-cycle and superoxide production in the presence of Antimycin A in wild type. This behavior was also preserved in a series of mutants with altered driving forces for quinol oxidation. Overall, the data supports models where the rate-limiting step for both Q-cycle and superoxide production are essentially identical, consistent with model 1 but requiring modifications to models 2 and 3

  4. Multilayer Finite-Element Model Application to Define the Bearing Structure Element Stress State of Launch Complexes

    Directory of Open Access Journals (Sweden)

    V. A. Zverev

    2016-01-01

    Full Text Available The article objective is to justify the rationale for selecting the multilayer finite element model parameters of the bearing structure of a general-purpose launch complex unit.A typical design element of the launch complex unit, i.e. a mount of the hydraulic or pneumatic cylinder, block, etc. is under consideration. The mount represents a set of the cantilevered axis and external structural cage. The most loaded element of the cage is disk to which a moment is transferred from the cantilevered axis due to actuator effort acting on it.To calculate the stress-strain state of disk was used a finite element method. Five models of disk mount were created. The only difference in models was the number of layers of the finite elements through the thickness of disk. There were models, which had one, three, five, eight, and fourteen layers of finite elements through the thickness of disk. For each model, we calculated the equivalent stresses arising from the action of the test load. Disk models were formed and calculated using the MSC Nastran complex software.The article presents results in the table to show data of equivalent stresses in each of the multi-layered models and graphically to illustrate the changing equivalent stresses through the thickness of disk.Based on these results we have given advice on selecting the proper number of layers in the model allowing a desirable accuracy of results with the lowest run time. In addition, it is concluded that there is a need to use the multi-layer models in assessing the performance of structural elements in case the stress exceeds the allowable one in their surface layers.

  5. The Dissociative Subtype of Posttraumatic Stress Disorder: Unique Resting-State Functional Connectivity of Basolateral and Centromedial Amygdala Complexes.

    Science.gov (United States)

    Nicholson, Andrew A; Densmore, Maria; Frewen, Paul A; Théberge, Jean; Neufeld, Richard Wj; McKinnon, Margaret C; Lanius, Ruth A

    2015-09-01

    Previous studies point towards differential connectivity patterns among basolateral (BLA) and centromedial (CMA) amygdala regions in patients with posttraumatic stress disorder (PTSD) as compared with controls. Here we describe the first study to compare directly connectivity patterns of the BLA and CMA complexes between PTSD patients with and without the dissociative subtype (PTSD+DS and PTSD-DS, respectively). Amygdala connectivity to regulatory prefrontal regions and parietal regions involved in consciousness and proprioception were expected to differ between these two groups based on differential limbic regulation and behavioral symptoms. PTSD patients (n=49) with (n=13) and without (n=36) the dissociative subtype and age-matched healthy controls (n=40) underwent resting-state fMRI. Bilateral BLA and CMA connectivity patterns were compared using a seed-based approach via SPM Anatomy Toolbox. Among patients with PTSD, the PTSD+DS group exhibited greater amygdala functional connectivity to prefrontal regions involved in emotion regulation (bilateral BLA and left CMA to the middle frontal gyrus and bilateral CMA to the medial frontal gyrus) as compared with the PTSD-DS group. In addition, the PTSD+DS group showed greater amygdala connectivity to regions involved in consciousness, awareness, and proprioception-implicated in depersonalization and derealization (left BLA to superior parietal lobe and cerebellar culmen; left CMA to dorsal posterior cingulate and precuneus). Differences in amygdala complex connectivity to specific brain regions parallel the unique symptom profiles of the PTSD subgroups and point towards unique biological markers of the dissociative subtype of PTSD.

  6. Event-based state estimation for a class of complex networks with time-varying delays: A comparison principle approach

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Wenbing [Department of Mathematics, Yangzhou University, Yangzhou 225002 (China); Wang, Zidong [Department of Computer Science, Brunel University London, Uxbridge, Middlesex, UB8 3PH (United Kingdom); Liu, Yurong, E-mail: yrliu@yzu.edu.cn [Department of Mathematics, Yangzhou University, Yangzhou 225002 (China); Communication Systems and Networks (CSN) Research Group, Faculty of Engineering, King Abdulaziz University, Jeddah 21589 (Saudi Arabia); Ding, Derui [Shanghai Key Lab of Modern Optical System, Department of Control Science and Engineering, University of Shanghai for Science and Technology, Shanghai 200093 (China); Alsaadi, Fuad E. [Communication Systems and Networks (CSN) Research Group, Faculty of Engineering, King Abdulaziz University, Jeddah 21589 (Saudi Arabia)

    2017-01-05

    The paper is concerned with the state estimation problem for a class of time-delayed complex networks with event-triggering communication protocol. A novel event generator function, which is dependent not only on the measurement output but also on a predefined positive constant, is proposed with hope to reduce the communication burden. A new concept of exponentially ultimate boundedness is provided to quantify the estimation performance. By means of the comparison principle, some sufficient conditions are obtained to guarantee that the estimation error is exponentially ultimately bounded, and then the estimator gains are obtained in terms of the solution of certain matrix inequalities. Furthermore, a rigorous proof is proposed to show that the designed triggering condition is free of the Zeno behavior. Finally, a numerical example is given to illustrate the effectiveness of the proposed event-based estimator. - Highlights: • An event-triggered estimator is designed for complex networks with time-varying delays. • A novel event generator function is proposed to reduce the communication burden. • The comparison principle is utilized to derive the sufficient conditions. • The designed triggering condition is shown to be free of the Zeno behavior.

  7. Occurrence of new species of mealybug on cotton fields in the states of Bahia and Paraíba, Brazil

    Directory of Open Access Journals (Sweden)

    Carlos Alberto Domingues da Silva

    2012-01-01

    Full Text Available The cotton mealybug, Phenacoccus solenopsis Tinsley (Hemiptera: Pseudococcidae has been reported occurring in several countries causing severe losses in economically important crops, including cotton. Based on information reported by farmers in the regions of the Southwest and Middle São Francisco, Bahia and also in the regions of the Agreste and Semi-arid of the Paraiba State, high infestations of cotton mealybugs have occurred in these regions during the cotton season of 2007 and 2008. The cotton mealybug was identified as P. solenopsis and this represents the first record of this insect attacking cotton in Brazil.

  8. Steady state and time-resolved fluorescence spectroscopy of quinine sulfate dication bound to sodium dodecylsulfate micelles: Fluorescent complex formation

    Energy Technology Data Exchange (ETDEWEB)

    Joshi, Sunita; Pant, Debi D., E-mail: ddpant@pilani.bits-pilani.ac.in

    2014-01-15

    Interaction of quinine sulfate dication (QSD) with anionic, sodium dodecylsulphate (SDS) surfactant has been studied at different premicellar, micellar and postmicellar concentrations in aqueous phase using steady state, time-resolved fluorescence and fluorescence anisotropy techniques. At premicellar concentrations of SDS, the decrease in absorbance, appearance of an extra fluorescence band at lower wavelengths and tri-exponential decay behavior of fluorescence, are attributed to complex formation between QSD molecules and surfactant monomers. At postmicellar concentrations the red shift in fluorescence spectrum, increase in quantum yield and increase in fluorescence lifetimes are attributed to incorporation of solute molecules to micelles. At lower concentrations of SDS, a large shift in fluorescence is observed on excitation at the red edge of absorption spectrum and this is explained in terms of distribution of ion pairs of different energies in the ground state and the observed fluorescence lifetime behavior corroborates with this model. The temporal fluorescence anisotropy decay of QSD in SDS micelles allowed determination of restriction on the motion of the fluorophore. All the different techniques used in this study reveal that the photophysics of QSD is very sensitive to the microenvironments of SDS micelles and QSD molecules reside at the water-micelle interface. -- Highlights: • Probe molecule is very sensitive to microenvironment of micelles. • Highly fluorescent ion-pair formation has been observed. • Modulated photophysics of probe molecule in micellar solutions has been observed. • Probe molecules strongly bind with micelles and reside at probe–micelle interface.

  9. Complex Kohn variational principle for two-nucleon bound-state and scattering with the tensor potential

    International Nuclear Information System (INIS)

    Araujo Junior, C.F. de; Adhikari, S.K.; Tomio, L.

    1993-10-01

    Complex Kohn variational principle is applied to the numerical solution of the fully off-shell Lippmann-Schwinger equation for nucleon-nucleon scattering for various partial waves including the coupled 3 S 1 - 3 D 1 channel. Analytic expressions are obtained for all the integrals in the method for a suitable choice of expansion functions. Calculations with the partial waves 1 S 0 , 1 P 1 , 1 D 2 , and 3 S 1 - 3 D 1 of the Reid soft core potential show that the method converges faster than other solution schemes not only for the phase shift but also for the off-shell t matrix elements. It is also shown that its is trivial to modify this variational principle in order to make it suitable for bound-stage calculations. The bound-state approach is illustrated for the 3 S 1 - 3 D 1 channel of the Reid soft-core potential for calculating the deuteron binding, wave function and the D state asymptotic parameters. (author)

  10. Chemical Equilibrium Models for the S3 State of the Oxygen-Evolving Complex of Photosystem II.

    Science.gov (United States)

    Isobe, Hiroshi; Shoji, Mitsuo; Shen, Jian-Ren; Yamaguchi, Kizashi

    2016-01-19

    We have performed hybrid density functional theory (DFT) calculations to investigate how chemical equilibria can be described in the S3 state of the oxygen-evolving complex in photosystem II. For a chosen 340-atom model, 1 stable and 11 metastable intermediates have been identified within the range of 13 kcal mol(-1) that differ in protonation, charge, spin, and conformational states. The results imply that reversible interconversion of these intermediates gives rise to dynamic equilibria that involve processes with relocations of protons and electrons residing in the Mn4CaO5 cluster, as well as bound water ligands, with concomitant large changes in the cluster geometry. Such proton tautomerism and redox isomerism are responsible for reversible activation/deactivation processes of substrate oxygen species, through which Mn-O and O-O bonds are transiently ruptured and formed. These results may allow for a tentative interpretation of kinetic data on substrate water exchange on the order of seconds at room temperature, as measured by time-resolved mass spectrometry. The reliability of the hybrid DFT method for the multielectron redox reaction in such an intricate system is also addressed.

  11. International competitiveness of brazilian and paraná state`s coffe complex / Competitividade internacional do complexo cafeeiro brasileiro e paranaense

    Directory of Open Access Journals (Sweden)

    Marcela Vasques Cintra

    2008-08-01

    Full Text Available The objective of this article is to analyze the determinants aspects of the competitiveness of the exportations of the coffee complex in Paraná State between 1990 and 2003 . The study intends to systematize: the recent literature on the subject, focusing the competitiveness of the main products of the brazilian guideline of exportations. A critical review of literature was made about the theories of international trade and competitiveness. It was characterized the dynamics of the complex of Brazilian coffee. The article identifies the competitive advantages of the Paraná coffee (green, roasted, soluble and special in relation to the competing countries; discusses the barriers to imports imposed to the brazilian coffee by the importing countries, and ends with the possible public and private policies favorable to the competitiveness of the coffee exportations.O objetivo deste artigo é analisar os determinantes da competitividade das exportações do complexo cafeeiro paranaense entre 1990 e 2003. O estudo pretende sistematizar: a literatura recente sobre o tema, enfocando a competitividade de um dos principais produtos da pauta de exportações brasileira e do Paraná. Realizou-se a revisão crítica da literatura das teorias do comércio internacional e da competitividade e em seguida, caracterizou-se a dinâmica do complexo cafeeiro do brasileiro e paranaense. O artigo identifica as vantagens competitivas do café paranaense (verde, torrado, solúvel e especial em relação aos países concorrentes; discute as barreiras às importações impostas ao café brasileiro pelos países importadores; e finaliza com as possíveis políticas públicas e privadas favoráveis à competitividade das exportações de café.

  12. Evaluating the Nature of So-Called S*-State Feature in Transient Absorption of Carotenoids in Light-Harvesting Complex 2 (LH2) from Purple Photosynthetic Bacteria.

    Science.gov (United States)

    Niedzwiedzki, Dariusz M; Hunter, C Neil; Blankenship, Robert E

    2016-11-03

    Carotenoids are a class of natural pigments present in all phototrophic organisms, mainly in their light-harvesting proteins in which they play roles of accessory light absorbers and photoprotectors. Extensive time-resolved spectroscopic studies of these pigments have revealed unexpectedly complex photophysical properties, particularly for carotenoids in light-harvesting LH2 complexes from purple bacteria. An ambiguous, optically forbidden electronic excited state designated as S* has been postulated to be involved in carotenoid excitation relaxation and in an alternative carotenoid-to-bacteriochlorophyll energy transfer pathway, as well as being a precursor of the carotenoid triplet state. However, no definitive and satisfactory origin of the carotenoid S* state in these complexes has been established, despite a wide-ranging series of studies. Here, we resolve the ambiguous origin of the carotenoid S* state in LH2 complex from Rba. sphaeroides by showing that the S* feature can be seen as a combination of ground state absorption bleaching of the carotenoid pool converted to cations and the Stark spectrum of neighbor neutral carotenoids, induced by temporal electric field brought by the carotenoid cation-bacteriochlorophyll anion pair. These findings remove the need to assign an S* state, and thereby significantly simplify the photochemistry of carotenoids in these photosynthetic antenna complexes.

  13. The electronically excited states of LH2 complexes from Rhodopseudomonas acidophila strain 10050 studied by time-resolved spectroscopy and dynamic Monte Carlo simulations. II. Homo-arrays of LH2 complexes reconstituted into phospholipid model membranes.

    Science.gov (United States)

    Pflock, Tobias J; Oellerich, Silke; Krapf, Lisa; Southall, June; Cogdell, Richard J; Ullmann, G Matthias; Köhler, Jürgen

    2011-07-21

    We performed time-resolved spectroscopy on homoarrays of LH2 complexes from the photosynthetic purple bacterium Rhodopseudomonas acidophila. Variations of the fluorescence transients were monitored as a function of the excitation fluence and the repetition rate of the excitation. These parameters are directly related to the excitation density within the array and to the number of LH2 complexes that still carry a triplet state prior to the next excitation. Comparison of the experimental observations with results from dynamic Monte Carlo simulations for a model cluster of LH2 complexes yields qualitative agreement without the need for any free parameter and reveals the mutual relationship between energy transfer and annihilation processes.

  14. X-ray studies on crystalline complexes involving amino acids and peptides. XXXII. Effect of chirality on ionisation state, stoichiometry and aggregation in the complexes of oxalic acid with DL- and L-lysine.

    Science.gov (United States)

    Venkatraman, J; Prabu, M M; Vijayan, M

    1997-08-01

    Crystals of the oxalic acid complex of DL-lysine (triclinic P1; a = 5.540(1), b = 10.764(2), c = 12.056(2) A, alpha = 77.8(1), beta = 80.6(1), gamma = 75.6(1).; R = 4.7% for 2023 observed reflections) contain lysine and semioxalate ions in the 1:1 ratio, whereas the ratio of lysine and semioxalate/oxalate ions is 2:3 in the crystals of the L-lysine complex (monoclinic P2(1); alpha = 4.906(1), b = 20.145(4), c = 12.455(1) A, beta = 92.5(1).; R = 4.4% for 1494 observed reflections). The amino acid molecule in the L-lysine complex has an unusual ionisation state with positively charged alpha- and side-chain amino groups and a neutral carboxyl group. The unlike molecules aggregate into separate alternating layers in the DL-lysine complex in a manner similar to that observed in several of the amino acid complexes. The L-lysine complex exhibits a new aggregation pattern which cannot be easily explained in terms of planar features, thus emphasizing the fundamental dependence of aggregation on molecular characteristics. Despite the differences in stoichiometry, ionisation state and long-range aggregation patterns, the basic element of aggregation in the two complexes exhibits considerable similarity.

  15. Frame complexity and the Financial Crisis: a comparison of the United States, the United Kingdom and Germany 2007-2012

    NARCIS (Netherlands)

    Kleinnijenhuis, J.; Schultz, F.; Oegema, D.

    2015-01-01

    Communicative complexity concerns the variety of issues and stakeholders (agenda complexity) and their associations (frame complexity) in the news. One issue may dominate news in crises (9/11, Katrina), but as soon as complexity recovers, uncertainty may decrease and the public mood may improve. The

  16. Effects of ligand substitution on the excited state dynamics of the Ru(dcbpy)(CO){sub 2}I{sub 2} complex

    Energy Technology Data Exchange (ETDEWEB)

    Lehtovuori, Viivi; Kallioinen, Jani; Myllyperkioe, Pasi; Haukka, Matti; Korppi-Tommola, Jouko

    2003-11-15

    Spectroscopic evidence suggest [PCCP 3 (2001) 1992] that illumination with visible light of the [trans-I-Ru(dcbpy)(CO){sub 2}I{sub 2}] (dcbpy4,4{sup '}-dicarboxy-2,2{sup '}-bipyridine) complex in solution induces dissociation of a CO group followed by reorganization of the ligands and attachment of a solvent molecule. In the present study, we report results on excited state dynamics of this ruthenium complex and its photoproduct. Femtosecond transient absorption measurements reveal dominance of excited state absorption of the reactant and the photoproduct [cis-I-Ru(dcbpy)(CO)(Sol)I{sub 2}] (Sol=ethanol or acetonitrile) in the visible spectral region. The time-resolved measurements for the reactant at 77 K indicate interligand charge transfer from mixed Ru-I states to empty dcbpy orbitals. For the photoproduct, no such transfer was observed. In both complexes recovery from the lowest energy excited triplet state to the ground state occurs via two channels: radiative relaxation and a parallel barrier controlled non-radiative relaxation. The barrier is much higher in the reactant (about 850 cm{sup -1}) than in the product. A combination of DFT and ZINDO/CI calculations was used to estimate excited singlet and triplet spectra of the reactant and the product molecules. Calculated singlet-triplet difference spectra qualitatively match the observed transient spectra 500 fs after excitation supporting the idea that observed excited state relaxation occurs from the triplet states in both complexes.

  17. Waste is a Terrible Thing to Mind: Perspectives on the Cleanup of the United States Nuclear Weapons Complex

    Science.gov (United States)

    Bodde, David

    1997-03-01

    For the 50 years of the Cold War, the United States nuclear arsenal was the cornerstone of our national security. These weapons were designed, manufactured, and armed with fissionable materials in an industrial complex that, at its peak, included about 16 major facilities and vast tracts of land in Nevada, Idaho, Washington, and South Carolina. Included among these are such well-known sites as the Savannah River Plant, the Hanford, Oak Ridge, and the Idaho National Engineering Laboratory. The Cold War, that "long twilight struggle" in the evocative phrase of John Kennedy, left little time and few resources for understanding and managing the environmental consequences of nuclear weapons production. At the same time, perceptions of the special nature of the atom led to a concentration of governance in the Atomic Energy Commission and the Joint Committee on Atomic Energy. Thus, external feedback for the managers of the complex was heavily filtered. But the imperatives of the Cold War have waned, and our understanding of the implications for the environment and the health and safety of workers has grown. By 1995 the Department of Energy (DoE) had spent about 23 billion in identifying and characterizing its waste, managing it, and assessing the actions needed to clean up the 120 sites in 36 states. Yet the majority of the task appeared ahead. Estimates made in 1995 suggested a total cost ranging from 200-350 billion and a time to complete of 75 years. If these were true, the cleanup of the weapons complex would become the largest civil works project in the history of humankind. Over the past year or so, the DoE program has shifted its focus from studies to actual cleanup. A strategic plan has been proposed that would accomplish most of the needed work over ten years at a cost of about $85 billion. At the same time, the Department is proposing to transfer oversight to the Nuclear Regulatory Commission, the Environmental Protection Agency, and the states. This Invited

  18. Solid state and solution photoluminescence properties of a novel meso–meso-linked porphyrin dimer Schiff base ligand and its metal complexes

    Energy Technology Data Exchange (ETDEWEB)

    Tümer, Mehmet, E-mail: mtumer@ksu.edu.tr; Ali Güngör, S.; Raşit Çiftaslan, A.

    2016-02-15

    We prepared novel meso-meso linked 4-bromo-2,6-bis[5-(4-iminophenyl)-10,15,20-triphenylporphyrin]phenol (HL) and its Cu(II), Fe(III), Mn(III), Pt(II) and Zn(II) transition metal complexes. Structural characterizations of the ligand (HL) and its metal complexes were done by the spectroscopic and analytical methods. The electronic absorption and photoluminescence spectra of the ligand, its metal complexes and the metal salts used for preparing of the complexes were investigated in the solid and solution state. The emission and excitation data of the CuCl{sub 2}·2H{sub 2}O in both solid and the solution state were obsrved in the longest wavelenght. On the other hand, the emission value of the ZnCl{sub 2} salt was shown at the shortest wavelenght. The emission values of the [LCu{sub 4}Cl{sub 3}(H{sub 2}O){sub 2}]H{sub 2}O and LPt{sub 4}Cl{sub 3} complexes in the solid state are bigger than the other metal salts. The ligand and its metal complexes show the very interesting absorption spectral properties in the solid state. Metal complexes have less number Q bands in the solid state. The electrochemical properties of the ligand and its metal complexes were investigated and found that they show the reversible or irreversible redox processes at the different scan rates. Thermal properties of the compopunds were investigated in the 20–900 °C temperature range.

  19. A strong steric hindrance effect on ground state, excited state, and charge separated state properties of a CuI-diimine complex captured by X-ray transient absorption spectroscopy

    DEFF Research Database (Denmark)

    Huang, J.; Mara, M.W.; Stickrath, A.B.

    2014-01-01

    of phenanthroline. The structural dynamics of the photoinduced charge transfer process in the [CuI(dppS)2]+/TiO2 hybrid is also investigated, which suggests a more restricted environment for the complex upon binding to TiO2 NPs. Moreover, the Cu-N bond length of the oxidized state of [CuI(dppS)2]+ after electron...... dynamics and structures as well as those of the charge separated state resulting from the interfacial electron injection from the MLCT state to TiO2 nanoparticles (NPs). The OTA results show the absence of the sub-picosecond component previously assigned as the time constant for flattening, while the two...... injection to TiO2 NPs shortens by 0.05 Å compared to that in the ground state. The interpretation of these observed structural changes associated with excited and charge separated states will be discussed. These results not only set an example for applying XTA in capturing the intermediate structure...

  20. Mechanochemically assisted solid-state and citric acid complex syntheses of Cu-doped sodium cobaltite ceramics

    International Nuclear Information System (INIS)

    Pršić, S.; Savić, S.M.; Branković, Z.; Vrtnik, S.; Dapčević, A.; Branković, G.

    2015-01-01

    Highlights: • Sodium cobaltite was synthesized by mechanochemically assisted solid-state reaction and citric acid complex (CAC) method. • We investigated effect of Cu-doping in NaCo 2−x Cu x O 4 (x = 0, 0.01, 0.03, 0.05). • ICP analysis showed that the controlling of the samples composition is easier by the CAC method. • The Seebeck coefficient in Cu-doped samples was higher compared to the undoped one. • The highest figure of merit was observed in the sample with the lowest Cu concentration. - Abstract: In the last decade, the sodium cobaltite ceramic became a promising candidate for potential thermoelectric applications, because of its large thermopower and low resistivity. In this work, polycrystalline samples of NaCo 2−x Cu x O 4 (x = 0, 0.01, 0.03, 0.05) were prepared using mechanochemically assisted solid-state reaction method (MASSR) and the citric acid complex method (CAC). Bulk samples were prepared by pressing into disc-shaped pellets and subsequently subjected to a thermal treatment at 880 °C in inert argon atmosphere. Changes in structural and microstructural characteristics of the samples, caused by the substitution of Cu for Co, were characterized using X-ray diffraction (XRD) analysis, and scanning electron microscopy (SEM), respectively. The results of inductively coupled plasma (ICP) analysis showed that the compositions of the final products correspond to γ-NaCo 2 O 4 and confirmed that desired compound was obtained in both syntheses procedures. The advantages and disadvantages of these two syntheses procedures have been observed and discussed: the CAC method enabled obtaining samples with higher density and fine microstructure compared to the MASSR method, thus better thermoelectric properties. The Cu 2+ substitution led to the increase in Seebeck coefficient in both synthesis routes. The highest figure of merit of 0.022 at 300 K was observed for the sample doped with 1 mol% Cu, obtained by the CAC method, and it was almost twice

  1. Mechanochemically assisted solid-state and citric acid complex syntheses of Cu-doped sodium cobaltite ceramics

    Energy Technology Data Exchange (ETDEWEB)

    Pršić, S., E-mail: sanjaprsic@imsi.bg.ac.rs [Institute for Multidisciplinary Research, University of Belgrade, Kneza Višeslava 1, 11030 Belgrade (Serbia); Savić, S.M., E-mail: slavicas@imsi.bg.ac.rs [Institute for Multidisciplinary Research, University of Belgrade, Kneza Višeslava 1, 11030 Belgrade (Serbia); Branković, Z., E-mail: zorica.brankovic@imsi.bg.ac.rs [Institute for Multidisciplinary Research, University of Belgrade, Kneza Višeslava 1, 11030 Belgrade (Serbia); Vrtnik, S., E-mail: stane.vrtnik@ijs.si [Institute Jožef Stefan, Condensed Matter Physics, Jamova cesta 39, 1000 Ljubljana (Slovenia); Dapčević, A., E-mail: hadzi-tonic@tmf.bg.ac.rs [Department of General and Inorganic Chemistry, Faculty of Technology and Metallurgy, University of Belgrade, Karnegijeva 4, 11120 Belgrade (Serbia); Branković, G., E-mail: goran.brankovic@imsi.bg.ac.rs [Institute for Multidisciplinary Research, University of Belgrade, Kneza Višeslava 1, 11030 Belgrade (Serbia)

    2015-08-15

    Highlights: • Sodium cobaltite was synthesized by mechanochemically assisted solid-state reaction and citric acid complex (CAC) method. • We investigated effect of Cu-doping in NaCo{sub 2−x}Cu{sub x}O{sub 4} (x = 0, 0.01, 0.03, 0.05). • ICP analysis showed that the controlling of the samples composition is easier by the CAC method. • The Seebeck coefficient in Cu-doped samples was higher compared to the undoped one. • The highest figure of merit was observed in the sample with the lowest Cu concentration. - Abstract: In the last decade, the sodium cobaltite ceramic became a promising candidate for potential thermoelectric applications, because of its large thermopower and low resistivity. In this work, polycrystalline samples of NaCo{sub 2−x}Cu{sub x}O{sub 4} (x = 0, 0.01, 0.03, 0.05) were prepared using mechanochemically assisted solid-state reaction method (MASSR) and the citric acid complex method (CAC). Bulk samples were prepared by pressing into disc-shaped pellets and subsequently subjected to a thermal treatment at 880 °C in inert argon atmosphere. Changes in structural and microstructural characteristics of the samples, caused by the substitution of Cu for Co, were characterized using X-ray diffraction (XRD) analysis, and scanning electron microscopy (SEM), respectively. The results of inductively coupled plasma (ICP) analysis showed that the compositions of the final products correspond to γ-NaCo{sub 2}O{sub 4} and confirmed that desired compound was obtained in both syntheses procedures. The advantages and disadvantages of these two syntheses procedures have been observed and discussed: the CAC method enabled obtaining samples with higher density and fine microstructure compared to the MASSR method, thus better thermoelectric properties. The Cu{sup 2+} substitution led to the increase in Seebeck coefficient in both synthesis routes. The highest figure of merit of 0.022 at 300 K was observed for the sample doped with 1 mol% Cu, obtained by

  2. PROFESSIONAL TEACHERS’ DEVELOPMENT OF EDUCATIONAL COMPLEXES IN THE CONDITIONS OF INTRODUCTION OF THE FEDERAL STATE EDUCATIONAL STANDARD

    Directory of Open Access Journals (Sweden)

    Elena A. Sidenko

    2016-01-01

    Full Text Available RETRACTED ARTICLEThe aim of this publication is to familiarize readers with the particularities of training of school teams for the introduction of the Federal State Educational Standard (hereinafter – FSES in the initial stage and considering the features of creating a component of model, namely, program of management training to the introduction of the (FSES. The purpose of the study is to developmethodological bases of construction models of implementation of the Federal state educational standard as a system innovation.Methods. The theoretical and methodological basis of the investigation involves: concepts of motivation of work and reflexive-humanistic psychology; ideas of contextual and projective training, and also acmeological approach to continuous education of adults.Results and scientific novelty. The specifics of the program of professional development of shots for education corresponding to modern realities are described. This program assumes preparation of the school teams consisting of heads of the educational organizations, their deputies, methodologists and teachers. Adequate forms of carrying out internal and correspondence occupations with the organization of productive educational activity of listeners are selected; the complex of tasks for course and intersession occupations is developed. Training of listeners according to the developed program is based as the organizational and pedagogical cascade and cluster model combining resident instruction of the managerial personnel in the organizations of system of professional development with their innovative activity in the educational organizations. The course includes some levels: the basic, technological and organizational-activity-based. The basic level assumes development of the maintenance of FSES and development of innovative potential of listeners; technological level – technologies of conducting group work on development of FSES are mastered

  3. Unique insula subregion resting-state functional connectivity with amygdala complexes in posttraumatic stress disorder and its dissociative subtype.

    Science.gov (United States)

    Nicholson, Andrew A; Sapru, Iman; Densmore, Maria; Frewen, Paul A; Neufeld, Richard W J; Théberge, Jean; McKinnon, Margaret C; Lanius, Ruth A

    2016-04-30

    The insula and amygdala are implicated in the pathophysiology of posttraumatic stress disorder (PTSD), where both have been shown to be hyper/hypoactive in non-dissociative (PTSD-DS) and dissociative subtype (PTSD+DS) PTSD patients, respectively, during symptom provocation. However, the functional connectivity between individual insula subregions and the amygdala has not been investigated in persons with PTSD, with or without the dissociative subtype. We examined insula subregion (anterior, mid, and posterior) functional connectivity with the bilateral amygdala using a region-of-interest seed-based approach via PickAtlas and SPM8. Resting-state fMRI was conducted with (n=61) PTSD patients (n=44 PTSD-DS; n=17 PTSD+DS), and (n=40) age-matched healthy controls. When compared to controls, the PTSD-DS group displayed increased insula connectivity (bilateral anterior, bilateral mid, and left posterior) to basolateral amygdala clusters in both hemispheres, and the PTSD+DS group displayed increased insula connectivity (bilateral anterior, left mid, and left posterior) to the left basolateral amygdala complex. Moreover, as compared to PTSD-DS, increased insula subregion connectivity (bilateral anterior, left mid, and right posterior) to the left basolateral amygdala was found in PTSD+DS. Depersonalization/derealization symptoms and PTSD symptom severity correlated with insula subregion connectivity to the basolateral amygdala within PTSD patients. This study is an important first step in elucidating patterns of neural connectivity associated with unique symptoms of arousal/interoception, emotional processing, and awareness of bodily states, in PTSD and its dissociative subtype. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  4. Complex sparse spatial filter for decoding mixed frequency and phase coded steady-state visually evoked potentials.

    Science.gov (United States)

    Morikawa, Naoki; Tanaka, Toshihisa; Islam, Md Rabiul

    2018-07-01

    Mixed frequency and phase coding (FPC) can achieve the significant increase of the number of commands in steady-state visual evoked potential-based brain-computer interface (SSVEP-BCI). However, the inconsistent phases of the SSVEP over channels in a trial and the existence of non-contributing channels due to noise effects can decrease accurate detection of stimulus frequency. We propose a novel command detection method based on a complex sparse spatial filter (CSSF) by solving ℓ 1 - and ℓ 2,1 -regularization problems for a mixed-coded SSVEP-BCI. In particular, ℓ 2,1 -regularization (aka group sparsification) can lead to the rejection of electrodes that are not contributing to the SSVEP detection. A calibration data based canonical correlation analysis (CCA) and CSSF with ℓ 1 - and ℓ 2,1 -regularization cases were demonstrated for a 16-target stimuli with eleven subjects. The results of statistical test suggest that the proposed method with ℓ 1 - and ℓ 2,1 -regularization significantly achieved the highest ITR. The proposed approaches do not need any reference signals, automatically select prominent channels, and reduce the computational cost compared to the other mixed frequency-phase coding (FPC)-based BCIs. The experimental results suggested that the proposed method can be usable implementing BCI effectively with reduce visual fatigue. Copyright © 2018 Elsevier B.V. All rights reserved.

  5. Data-mining analysis of the provision of mobility devices in the United States with emphasis on complex rehab technology.

    Science.gov (United States)

    Sprigle, Stephen; Johnson Taylor, Susan

    2017-11-28

    The objective of this study was to describe the provision of wheeled-mobility equipment from the perspective of a large equipment supplier in the United States. The records of clients who were prescribed a mobility device over a 6-month period were randomly sampled to product a dataset of 1,689 clients. Analysis was limited to descriptive statistics and measures of relationships. The majority of the clients were adults (72%) and female (58%) with 62% receiving a manual wheelchair. The majority of interventions (58%) included some contribution from the client or client's family. Overall, 86% of all prescribed wheelchairs were classified as complex rehab technology (CRT). About half (52%) of all interventions involved a therapist. Therapist involvement was 2.5 times more likely during CRT interventions compared to standard durable medical equipment (StdDME). The project provides a novel description of mobility-related equipment provision using a large retrospective dataset. The analysis demonstrates the utility of analyzing a large number of client interventions. The capabilities of such analyses have business, clinical, and policy implications. Combining the data available from suppliers with prospective collection of client-specific information, such as outcomes, would be a more powerful means to assess the provision of wheeled-mobility equipment.

  6. Factors Affecting the Efficiency of Excited-States Interactions of Complexes between Some Visible Light-Emitting Lanthanide Ions and Cyclophanes Containing Spirobiindanol Phosphonates

    Directory of Open Access Journals (Sweden)

    M. S. Attia

    2007-01-01

    Full Text Available The efficiency of excited-states interactions between lanthanide ions Tb3+ and Eu3+ and some new cyclophanes (I, II, and III has been studied in different media. High luminescence quantum yield values for terbium and europium complexes in DMSO and PMMA were obtained. The photophysical properties of the green and red emissive Tb3+ and Eu3+ complexes have been elucidated, respectively.

  7. The orbital ground state of the azide-substrate complex of human heme oxygenase is an indicator of distal H-bonding: Implications for the enzyme mechanism‡

    Science.gov (United States)

    Ogura, Hiroshi; Evans, John P.; Peng, Dungeng; Satterlee, James D.; de Montellano, Paul R. Ortiz; Mar, Gerd N. La

    2009-01-01

    The active site electronic structure of the azide complex of substrate-bound human heme oxygenase-1, (hHO) has been investigated by 1H NMR spectroscopy to shed light on the orbital/spin ground state as an indicator of the unique distal pocket environment of the enzyme. 2D 1H NMR assignments of the substrate and substrate-contact residue signals reveal a pattern of substrate methyl contact shifts, that places the lone iron π-spin in the dxz orbital, rather than the dyz orbital found in the cyanide complex. Comparison of iron spin relaxivity, magnetic anisotropy and magnetic susceptibilities argues for a low-spin, (dxy)2(dyz,dxz)3, ground state in both azide and cyanide complexes. The switch from singly-occupied dyz for the cyanide to dxz for the azide complex of hHO is shown to be consistent with the orbital hole determined by the azide π-plane in the latter complex, which is ∼90° in-plane rotated from that of the imidazole π-plane. The induction of the altered orbital ground state in the azide relative to the cyanide hHO complex, as well as the mean low-field bias of methyl hyperfine shifts and their paramagnetic relaxivity relative to those in globins, indicate that azide exerts a stronger ligand field in hHO than in the globins, or that the distal H-bonding to azide is weaker in hHO than in globins. The Asp140 → Ala hHO mutant that abolishes activity retains the unusual WT azide complex spin/orbital ground state. The relevance of our findings for other HO complexes and the HO mechanism is discussed. PMID:19243105

  8. The orbital ground state of the azide-substrate complex of human heme oxygenase is an indicator of distal H-bonding: implications for the enzyme mechanism.

    Science.gov (United States)

    Ogura, Hiroshi; Evans, John P; Peng, Dungeng; Satterlee, James D; Ortiz de Montellano, Paul R; La Mar, Gerd N

    2009-04-14

    The active site electronic structure of the azide complex of substrate-bound human heme oxygenase 1 (hHO) has been investigated by (1)H NMR spectroscopy to shed light on the orbital/spin ground state as an indicator of the unique distal pocket environment of the enzyme. Two-dimensional (1)H NMR assignments of the substrate and substrate-contact residue signals reveal a pattern of substrate methyl contact shifts that places the lone iron pi-spin in the d(xz) orbital, rather than the d(yz) orbital found in the cyanide complex. Comparison of iron spin relaxivity, magnetic anisotropy, and magnetic susceptibilities argues for a low-spin, (d(xy))(2)(d(yz),d(xz))(3), ground state in both azide and cyanide complexes. The switch from singly occupied d(yz) for the cyanide to d(xz) for the azide complex of hHO is shown to be consistent with the orbital hole determined by the azide pi-plane in the latter complex, which is approximately 90 degrees in-plane rotated from that of the imidazole pi-plane. The induction of the altered orbital ground state in the azide relative to the cyanide hHO complex, as well as the mean low-field bias of methyl hyperfine shifts and their paramagnetic relaxivity relative to those in globins, indicates that azide exerts a stronger ligand field in hHO than in the globins, or that the distal H-bonding to azide is weaker in hHO than in globins. The Asp140 --> Ala hHO mutant that abolishes activity retains the unusual WT azide complex spin/orbital ground state. The relevance of our findings for other HO complexes and the HO mechanism is discussed.

  9. The lunar-tide cycle viewed by crustacean and mollusc gatherers in the State of Paraíba, Northeast Brazil and their influence in collection attitudes

    Directory of Open Access Journals (Sweden)

    Alves Rômulo RN

    2006-01-01

    Full Text Available Abstract Traditional human communities have a wide knowledge of their environment. Collection of animals in estuarine and coastal areas are directly influenced by tidal cycles. The aim of this study is to evaluate the understanding of the tides associated with the lunar cycle held by people who gather crustaceans and molluscs in the State of Paraiba. The empirical knowledge of 20 crab gatherers and 30 mollusc gatherers was recorded through open interviews and structured questionnaires. The results showed that the gatherers have an accurate comprehension of tidal phenomenon based on their exploitation of natural resources, which perpetuates through generations.

  10. Spin state of mixed crystals of iron with zinc or cobalt for the assembled complexes bridged by 1,3-bis(4-pyridyl)propanes

    Energy Technology Data Exchange (ETDEWEB)

    Nakashima, S [Natural Science Center for Basic Research and Development, Hiroshima University, Kagamiyama, Higashi-Hiroshima 739-8526 (Japan); Dote, T; Atsuchi, M; Inoue, K, E-mail: snaka@hiroshima-u.ac.j [Graduate School of Science, Hiroshima University, Kagamiyama, Higashi-Hiroshima 739-8526 (Japan)

    2010-03-01

    Mixed crystals, [Fe{sub 1-x}M{sub x}(NCX){sub 2}(bpp){sub 2}] (M=Zn, Co; X=S, Se; bpp1,3-bis(4-pyridyl)propane), had a similar structure with 2D interpenetrated structure of [Fe(NCX){sub 2}(bpp){sub 2}]. The proportion of Fe{sup II} low-spin state in the mixed crystals of NCSe complex increased compared with that of the corresponding Fe complex, while such change in the Moessbauer spectra was not observed in the NCS complex.

  11. Enhanced detection of explosives by turn-on resonance Raman upon host-guest complexation in solution and the solid state

    DEFF Research Database (Denmark)

    Witlicki, Edward H.; Bähring, Steffen; Johnsen, Carsten

    2017-01-01

    complexation occur via a mechanism of resonance between the 785 nm laser line and the strongly absorbing charge-transfer chromophore arising from the complex between electron-donating TTF-C[4]P and electron-accepting nitroaromatic explosives. The addition of chloride forms the Cl-·TTF-C[4]P complex resetting......The recognition of nitroaromatic explosives by a tetrakis-tetrathiafulvalene-calix[4]pyrrole receptor (TTF-C[4]P) yields a "turn on" and fingerprinting response in the resonance Raman scattering observed in solution and the solid state. Intensity changes in nitro vibrations with analyte...

  12. [Schistosomiasis control in the State of São Paulo].

    Science.gov (United States)

    Glasser, C M

    1995-01-01

    The program of schistosomiasis control for the State of São Paulo, where only low endemicity areas occur, is discussed in this paper. Inclusion of schistosomiasis among the diseases due to obligatory notification is considered as a measure of great importance. Accordingly the search for passive cases conducted by the public health system acquired major importance in the disease surveillance. As from 1981 to 1992 only 11% of the detected cases were considered as autochthonous. The main transmission areas are located at the Litoral and Paraiba Valley regions. In the period of time under analysis, the epidemiological surveillance data suggest a decrease in the morbidity and in the autochthony tendency in the State of São Paulo.

  13. Photoisomerization Mechanism of Ruthenium Sulfoxide Complexes: Role of the Metal-Centered Excited State in the Bond Rupture and Bond Construction Processes.

    Science.gov (United States)

    Li, Huifang; Zhang, Lisheng; Zheng, Lvyin; Li, Xun; Fan, Xiaolin; Zhao, Yi

    2016-09-26

    Phototriggered intramolecular isomerization in a series of ruthenium sulfoxide complexes, [Ru(L)(tpy)(DMSO)](n+) (where tpy=2,2':6',2''-terpyridine; DMSO=dimethyl sulfoxide; L=2,2'-bipyridine (bpy), n=2; N,N,N',N'-tetramethylethylenediamine (tmen) n=2; picolinate (pic), n=1; acetylacetonate (acac), n=1; oxalate (ox), n=0; malonate (mal), n=0), was investigated theoretically. It is observed that the metal-centered ligand field ((3) MC) state plays an important role in the excited state S→O isomerization of the coordinated DMSO ligand. If the population of (3) MCS state is thermally accessible and no (3) MCO can be populated from this state, photoisomerization will be turned off because the (3) MCS excited state is expected to lead to fast radiationless decay back to the original (1) GSS ground state or photodecomposition along the Ru(2+) -S stretching coordinate. On the contrary, if the population of (3) MCS (or (3) MCO ) state is inaccessible, photoinduced S→O isomerization can proceed adiabatically on the potential energy surface of the metal-to-ligand charge transfer excited states ((3) MLCTS →(3) MLCTO ). It is hoped that these results can provide valuable information for the excited state isomerization in photochromic d(6) transition-metal complexes, which is both experimentally and intellectually challenging as a field of study. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Geochronological data for lithostratigraphic complexes of a crystalline basement from the South regions of Minas Gerais and adjacent areas of the Sao Paulo state

    International Nuclear Information System (INIS)

    Kawashita, K.; Artur, A.C.; Wernick, E.

    1988-01-01

    New geochronological data (Rb/Sr, Pb/Pb) for the Amparo and Pinhal Complexes, southern State of Minas Gerais and adjacent areas of the State of Sao Paulo are presented and discussed with respect to other lithostratigraphic complexes which there occur. Among the different complexes considered, 4 are composed mainly by rock belonging to typical infrastructure associations. They are the Barcelona, the Guaxupe, the Amparo and the Pinhal complexes. The Barbacena Complex is a typical gray gneiss complex and geochronological data by different methods confirm its Archean age. The Guaxupe Complex is composed mainly by different types of charnockitic rocks and an Archean age is assumed on geotectonic basis due to its neighboring association with the gray gneiss/greenstone belt, a though confirming geochronological data are still missing, a normal feature in this type of mobile belts which generally show a complex, polycyling evolution. Geochronological data by different methods on diverse rock types indicates that the Amparo and Pinhal complexes are respectively of Lower an Upper proterozoic age. Geochronological, geological and petrographic data reveal that both complexes are composed mainly by 3 basic rock associations: a-mainly derived magmatic rocks including mafic/ultramafic ones as well as calc-alkaline, subalcaline and even alkaline granitoids; b-orthogneisses, migmatites and crustal granites derived by metamorphic processes acting on older, pre-existing rocks; corthogneisses and migmatites resulting from metamorphic processes acting on magmatic rocks intruded during the same tecto-metamorphic cycle during which its transformation took place. The results suggest a polycyclic evolution by successive tecto-metamorphic events which affected the older rocks of the considered are either by the reworking of enclosing rocks around pericratonic continental main magmatic arcs or by the remobilisation of older basement rocks during continental collisions. (author) [pt

  15. Solid-state thermolysis of a fac-rhenium(I) carbonyl complex with a redox non-innocent pincer ligand.

    Science.gov (United States)

    Jurca, Titel; Chen, Wen-Ching; Michel, Sheila; Korobkov, Ilia; Ong, Tiow-Gan; Richeson, Darrin S

    2013-03-25

    The development of rhenium(I) chemistry has been restricted by the limited structural and electronic variability of the common pseudo-octahedral products fac-[ReX(CO)3L2] (L2 = α-diimine). We address this constraint by first preparing the bidentate bis(imino)pyridine complexes [(2,6-{2,6-Me2C6H3N=CPh}2C5H3N)Re(CO)3X] (X = Cl 2, Br 3), which were characterized by spectroscopic and X-ray crystallographic means, and then converting these species into tridentate pincer ligand compounds, [(2,6-{2,6-Me2C6H3N=CPh}2C5H3N)Re(CO)2X] (X = Cl 4, Br 5). This transformation was performed in the solid-state by controlled heating of 2 or 3 above 200 °C in a tube furnace under a flow of nitrogen gas, giving excellent yields (≥95 %). Compounds 4 and 5 define a new coordination environment for rhenium(I) carbonyl chemistry where the metal center is supported by a planar, tridentate pincer-coordinated bis(imino)pyridine ligand. The basic photophysical features of these compounds show significant elaboration in both number and intensity of the d-π* transitions observed in the UV/Vis spec tra relative to the bidentate starting materials, and these spectra were analyzed using time-dependent DFT computations. The redox nature of the bis(imino)pyridine ligand in compounds 2 and 4 was examined by electrochemical analysis, which showed two ligand reduction events and demonstrated that the ligand reduction shifts to a more positive potential when going from bidentate 2 to tridentate 4 (+160 mV for the first reduction step and +90 mV for the second). These observations indicate an increase in electrostatic stabilization of the reduced ligand in the tridentate conformation. Elaboration on this synthetic methodology documented its generality through the preparation of the pseudo-octahedral rhenium(I) triflate complex [(2,6-{2,6-Me2C6H3N=CPh}2C5H3N)Re(CO)2OTf] (7, 93 % yield). Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Reported exposure to trauma among adult patients referred for psychological services at the Free State Psychiatric Complex, Bloemfontein

    Directory of Open Access Journals (Sweden)

    Laurisa van Zyl

    2017-10-01

    Objective: The study aimed to explore and describe the extent and nature of reported potentially traumatic events and associated variables in adult patients referred for psychological services at the Free State Psychiatric Complex (FSPC, Bloemfontein. Methods: In this cross-sectional study, demographic information, diagnostic morbidity and co-morbidity, and presence and type of reported trauma exposure reported by patients during the initial assessment were obtained from files of adult patients seen during a one-year period (2010 at the out-patient unit and the in-patient affective ward at the FSPC. Data were captured on data record forms by the researchers and analysed by means of descriptive statistics, univariate analysis and logistic regression (SAS version 9.1. Results: Of the 192 adults (71.9% White and 67.2% female referred for psychological services,75.5% were diagnosed with mood disorders, 17.2% with anxiety disorders, 22.4% with substance-related disorders and 20.9% with cluster B personality disorders or traits. A total of 145 (75.5% reported past trauma exposure. The most frequently reported types of trauma exposure were traumatic death/injury of a loved one (37.0%, physical assault (24.5%, witnessed/threatened violence (19.3%, and sexual assault (17.7%. Women were more likely to have been exposed to trauma than men (OR 4.02, 95% CI 1.87–8.62, in particular to traumatic death of a loved one (OR 3.13, physical assault (OR 4.08, or sexual assault (OR 5.43. Conclusions: The findings of this study contribute to current data regarding the prevalence of exposure to trauma and its possible association with mental illness. The importance of comprehensive trauma exposure screening in routine psychiatric interviewing practices is highlighted.

  17. Complex landslides in the Trans-Mexican Volcanic Belt - a case study in the State of Veracruz

    Science.gov (United States)

    Wilde, M.; Terhorst, B.; Schwindt, D.; Rodriguez Elizarrarás, S. R.; Morales Barrera, W. V.; Bücker, M.; Flores Orozco, A.; García García, E.; Pita de la Paz, C.

    2017-12-01

    The State of Veracruz (Mexico) is a region which is highly affected by landslides, therefore detailed studies on triggering factors and process dynamics of landslides are required. Profound insights are essential for further hazard assessments and compilation of susceptibility maps. Exemplary landslide sites were investigated in order to determine characteristic features of specific regions. In the Chiconquiaco Mountain Range numerous damaging landslide events occurred in the year of 2013 and our case study corresponds to a deep-seated landslide originating from this slide-intensive year. The main scientific aspects are placed on the reconstruction of the landslides geometry and its process dynamics. Therefore, surface and subsurface analysis form the base of a multimethodological approach. In order to perform surface analysis, aerial photographs were collected by an unmanned aerial vehicle (UAV) aiming at the generation of a 3D model with the Structure from Motion (SfM) work routine. Ground control points (GCP) were used to ensure the geometric accuracy of the model. The obtained DEM of the 2013 slide mass as well as an elevation model representing the topographic situation before the event (year 2011) were used to detect surface changes. The data enabled determination of the most affected areas as well as areas characterized by secondary movements. Furthermore, the volume of the slide mass could be calculated. Geophysical methods, as electrical resistivity tomography (ERT) as well as seismic refraction tomography (SRT), were applied for subsurface analysis. Differences in subsurface composition, respectively density, allowed for separation of the slide mass and the underlying unit. Most relevant for our studies is the detection of an earlier landslide leading to the assumption that the 2013 landslide event corresponds to a reactivation process. This multimethodological approach enables a far-reaching visualization of complex landslides and strongly supports the

  18. Synthesis, spectroscopic characterization, solid state d.c. electrical conductivity and biological studies of some lanthanide(III chloride complexes with a heterocyclic Schiff base ligand

    Directory of Open Access Journals (Sweden)

    K. Mohanan

    2016-07-01

    Full Text Available Condensation of 2-hydroxy-1-naphthaldehyde with 2-amino-3-carboxyethyl-4,5-dimethylthiophene in 1:1 molar ratio, yielded a potentially tridentate Schiff base viz. 2-[N-(2′-hydroxy-1-naphthylideneamino]-3-carboxyethyl-4,5-dimethylthiophene (HNAT. This ligand formed complexes with lanthanum(III, cerium(III, praseodymium(III, neodymium(III, samarium(III, europium(III and gadolinium(III chloride under well defined conditions. These complexes were characterized through elemental analysis, molar conductance, magnetic moment measurements, IR, UV–Vis, FAB mass and 1H NMR spectral studies. Analytical data showed that all the metal complexes exhibited 1:1 metal–ligand ratio. Molar conductance values adequately confirmed the non-electrolytic nature of the metal complexes. The proton NMR spectral observations supplement the IR spectral assignments. The spectral data revealed that the ligand acted as neutral tridentate, coordinating to the metal ion through azomethine nitrogen, ester carbonyl and naphtholate oxygen without deprotonation. The ligand and its lanthanum(III chloride complex were subjected to XRD studies. The lanthanum(III chloride complex has undergone a facile transesterification reaction. The solid state d.c. electrical conductivity of some selected complexes were measured as a function of temperature, indicating the semiconducting nature of the metal complexes. The antimicrobial activities were examined by disk diffusion method against some pathogenic bacterial and fungal species.

  19. Comparison of Escherichia coli tRNAPhe in the free state, in the ternary complex and in the ribosomal A and P sites by chemical probing

    DEFF Research Database (Denmark)

    Douthwaite, S; Garrett, R A; Wagner, R

    1983-01-01

    tRNAPheE.coli was modified at accessible guanosine, cytidine, and adenosine residues using the chemical modification method described by Peattie and Gilbert [Proc. Natl Acad. Sci. USA, 77, 4679-4689 (1980)]. Modification characteristics of the tRNA in the free state, in the ternary complex...

  20. Generation of fluorescence quenchers from the triplet states of chlorophylls in the major light-harvesting complex II from green plants

    NARCIS (Netherlands)

    Barzda, V.; Vengris, M.; Valkunas, L.; van Amerongen, H.; van Grondelle, R.

    2000-01-01

    Laser flash-induced changes of the fluorescence yield were studied in aggregates of light-harvesting complex II (LHCII) on a time scale ranging from microseconds to seconds. Carotenoid (Car) and chlorophyll (Chl) triplet states, decaying with lifetimes of several microseconds and hundreds of

  1. Implementation of the Inter-disciplinary research complex in the L.N. Gumilev Eurasian State University is the step to a modern knowledge intensive technologies

    International Nuclear Information System (INIS)

    Shkol'nik, V.S.; Zholdasbekov, M.Zh.; Kadyrzhanov, K.K.; Itkis, M.G.; Dmitriev, S.N.

    2003-01-01

    In the book the rationale for the Inter-disciplinary research complex implementation in the L.N. Gumilev Eurasian State University (Astana city, Kazakhstan) is given. The design of key facility of the complex - the heavy ion accelerator (DC-60) is described. Application of nuclear membranes as an integrating factor for development of a new technologies, science and a knowledge intensive business is discussed. In these concerns the problems of an industrial technologies development with use of the nano- and microstructures on the nuclear membranes base are considered. The items of the scientific environment formation on the Inter-disciplinary research complex are analyzed. The book is intended for engineers, postgraduates and students specializing in the field of nuclear physics, radiation solid state physics, physics of films and coatings, accelerator technique, material modification with use of charged particles beams

  2. Characterization of vanadate-based transition-state-analogue complexes of phosphoglucomutase by spectral and NMR techniques

    International Nuclear Information System (INIS)

    Ray, W.J. Jr; Burgner, J.W. II; Post, C.B.

    1990-01-01

    Near ultraviolet spectral studies were conducted on two inhibitor complexes obtained by treating the dephospho form of the phosphoglucomutase·Mg 2+ complex with inorganic vanadate in the presence of either glucose 1-phosphate or glucose 6-phosphate. Part of the spectral differences between the two inhibitor complexes arises because the glucose phosphate moiety in the complex derived from glucose 1-phosphate binds to the enzyme in a different way from the glucose phosphate moiety in the complex derived from glucose 6-phosphate and because these alternative binding modes produce different environmental effects on the aromatic chromophores of the dephospho enzyme. These spectra differences are strikingly similar to those induced by the binding of glucose 1-phosphate and glucose 6-phosphate to the phospho enzyme. 31 P NMR studies of the phosphate group in these complexes also provide support for this binding pattern. Difference spectroscopy was used to resolve the spectrum of both inhibitor complexes to obtain the absorbance of their oxyvanadium chromophores. A spectrum more nearly like that of a normal vanadate ester is observed for the oxyvanadium chromophore in the corresponding complex involving glucose 1-phosphate and Li + instead of Mg 2+

  3. Changes in magnetic properties from solid state to solution in a trinuclear linear copper(II) complex

    NARCIS (Netherlands)

    Koval, I.A.; Akhideno, H.; Tanase, S.; Belle, C.; Duboc, C.; Saint-Aman, E.; Gamez, P.; Tooke, D.M.; Spek, A.L.; Pierre, J.-L.; Reedijk, J.

    2007-01-01

    A linear trinuclear copper(II) complex containing phenoxido- and alkoxido-bridges between the metal centers has been isolated and structurally characterized. The complex cation consists of a linear array of three copper ions, assembled by means of two doubly deprotonated ligands. The octahedral

  4. The electronically excited states of LH2 complexes from Rhodopseudomonas acidophila strain 10050 studied by time-resolved spectroscopy and dynamic Monte Carlo simulations. I. Isolated, non-interacting LH2 complexes.

    Science.gov (United States)

    Pflock, Tobias J; Oellerich, Silke; Southall, June; Cogdell, Richard J; Ullmann, G Matthias; Köhler, Jürgen

    2011-07-21

    We have employed time-resolved spectroscopy on the picosecond time scale in combination with dynamic Monte Carlo simulations to investigate the photophysical properties of light-harvesting 2 (LH2) complexes from the purple photosynthetic bacterium Rhodopseudomonas acidophila. The variations of the fluorescence transients were studied as a function of the excitation fluence, the repetition rate of the excitation and the sample preparation conditions. Here we present the results obtained on detergent solubilized LH2 complexes, i.e., avoiding intercomplex interactions, and show that a simple four-state model is sufficient to grasp the experimental observations quantitatively without the need for any free parameters. This approach allows us to obtain a quantitative measure for the singlet-triplet annihilation rate in isolated, noninteracting LH2 complexes.

  5. Excited state electron and energy relays in supramolecular dinuclear complexes revealed by ultrafast optical and X-ray transient absorption spectroscopy.

    Science.gov (United States)

    Hayes, Dugan; Kohler, Lars; Hadt, Ryan G; Zhang, Xiaoyi; Liu, Cunming; Mulfort, Karen L; Chen, Lin X

    2018-01-28

    The kinetics of photoinduced electron and energy transfer in a family of tetrapyridophenazine-bridged heteroleptic homo- and heterodinuclear copper(i) bis(phenanthroline)/ruthenium(ii) polypyridyl complexes were studied using ultrafast optical and multi-edge X-ray transient absorption spectroscopies. This work combines the synthesis of heterodinuclear Cu(i)-Ru(ii) analogs of the homodinuclear Cu(i)-Cu(i) targets with spectroscopic analysis and electronic structure calculations to first disentangle the dynamics at individual metal sites by taking advantage of the element and site specificity of X-ray absorption and theoretical methods. The excited state dynamical models developed for the heterodinuclear complexes are then applied to model the more challenging homodinuclear complexes. These results suggest that both intermetallic charge and energy transfer can be observed in an asymmetric dinuclear copper complex in which the ground state redox potentials of the copper sites are offset by only 310 meV. We also demonstrate the ability of several of these complexes to effectively and unidirectionally shuttle energy between different metal centers, a property that could be of great use in the design of broadly absorbing and multifunctional multimetallic photocatalysts. This work provides an important step toward developing both a fundamental conceptual picture and a practical experimental handle with which synthetic chemists, spectroscopists, and theoreticians may collaborate to engineer cheap and efficient photocatalytic materials capable of performing coulombically demanding chemical transformations.

  6. Solid state luminescence of CuI and CuNCS complexes with phenanthrolines and a new tris (aminomethyl) phosphine derived from N-methyl-2-phenylethanamine

    International Nuclear Information System (INIS)

    Starosta, Radosław; Komarnicka, Urszula K.; Puchalska, Małgorzata

    2014-01-01

    A new tris (aminomethyl) phosphine derived from N-methyl-2-phenylethanamine P(CH 2 N(CH 3 )CH 2 CH 2 Ph) 3 (1) has been synthesized and characterized by the NMR spectra. Also, three new copper(I) iodide or isothiocyanate complexes with 1 1,10-phenanthroline (phen) and 2,9-dimethyl-1,10-phenanthroline (dmp) [CuI(phen)P(CH 2 N(CH 3 )CH 2 CH 2 Ph) 3 ] (1P) CuI(dmp)P(CH 2 N(CH 3 )CH 2 CH 2 Ph) 3 ] (1I) and [CuNCS(dmp)P(CH 2 N(CH 3 )CH 2 CH 2 Ph) 3 ] (1T), have been synthesized and characterized by elemental analysis as well as studied by NMR, UV–vis, IR and luminescence spectroscopies. An X-ray structure of 1P complex revealed that the geometry around Cu(I) center in this complex is distorted pseudo-tetrahedral. Investigated complexes exhibit orange, rather weak photoluminescence in the solid state. This relatively low intensity may be related to the high flattening deformations of the molecular geometries in the excited triplet states On the basis of TDDFT calculations we confirmed that the absorbance and luminescence bands of (MX,MPR 3 )LCT as well as of (MX)LCT types result mainly from the transitions from the copper–iodine (or isothiocyanate) bonds and a small admixture of copper–phosphine bonds to antibonding orbitals of phen or dmp diimines. -- Highlights: • A novel tris(aminomethyl)phosphine is obtained from N-methyl-2-phenylethanamine. • Three new CuI and CuNCS complexes with phen or dmp and a novel phosphine are presented. • The obtained complexes are luminescent in the solid state. • Main absorbance and luminescence bands are of (MX,MPR 3 )LCT as well as (MX)LCT types

  7. Studies of ruthenium complexes, 8. Kinetic studies of the thermal substitution reaction of hexaammine and cis--dihalogenotetraammineruthenium(III) complexes in the solid state

    Energy Technology Data Exchange (ETDEWEB)

    Ohyoshi, A; Hiraki, S; Odate, T; Kohata, S; Oda, J [Kumamoto Univ. (Japan). Faculty of Engineering

    1975-01-01

    The kinetics of the thermal substitution reaction of hexaamineruthenium (III) halides and cis-dihalogenotetraamineruthenium (III) halides have been studied in the solid state. The reaction rates and kinetic parameters were determined for these two reactions; (Ru(NH/sub 3/)/sub 6/)X/sub 3/..-->..(RuX(NH/sub 3/)/sub 5/)X/sub 2/+NH/sub 3/, (X=Br, I) and cis - (RuX/sub 2/(NH/sub 3/)/sub 4/)X..-->..(RuX/sub 3/(NH/sub 3/)/sub 3/)+NH/sub 3/, (X=Cl, Br). The values of the rate constant, the activation energy, and the activation entropy were 2.10x10/sup -5/ s/sup -1/ (at 161/sup 0/C), 23.2 kcal mol/sup -1/, and -29.3 e.u. for the hexaamine bromide, and 2.92x10/sup -5/ s/sup -1/ (at 162/sup 0/C), 31.3 kcal mol/sup -1/, and -10.1 e.u. for the cis-dibromotetraamine bromide. The Ssub(N)2 mechanism is more probable for the former reaction, while the Ssub(N)1 mechanism is more probable for the latter reaction.

  8. Fluorescence ratiometric sensing of polyols by phenylboronic acid complexes with ligands exhibiting excited-state intramolecular proton transfer in aqueous micellar media

    Energy Technology Data Exchange (ETDEWEB)

    Trejo-Huizar, Karla Elisa; Jiménez-Sánchez, Arturo; Martínez-Aguirre, Mayte A.; Yatsimirsky, Anatoly K., E-mail: anatoli@unam.mx

    2016-11-15

    2-Phenyl-3-hydroxy-4(1H)-quinolone possessing dual fluorescence due to excited-state intramolecular proton transfer (ESIPT) forms stable complex with phenylboronic acid with blue shifted emission maximum in micellar medium of a cationic surfactant even though the compound lacks required for complexation with boronic acids cis-diol structure. No complexation is observed in the presence of neutral or anionic surfactants. Titrations of this complex with polyols including sugars and nucleotides at pH 8 displace free quinolone showing ratiometric response, which allows determination of polyols with detection limits 0.05–1 mM and unusually wide linear dynamic ranges. Another ESIPT dye 2-(2′-hydroxyphenyl)−1H-benzimidazole also lacking cis-diol structure forms equally stable complex with phenylboronic acid and allows ratiometric determination of polyols with similar characteristics. The results of this study demonstrate that blocking ESIPT of signaling molecule by complexation of the receptor with the proton donor group eliminates the low energy emission from tautomeric form but strongly enhances the high energy emission typical for “normal” form of signaling molecule creating a possibility of ratiometric sensing.

  9. Pedogenesis of a catena of the Farmdale-Sangamon Geosol complex in the north central United States

    Science.gov (United States)

    Jacobs, P.M.; Konen, M.E.; Curry, B. Brandon

    2009-01-01

    The Farmdale-Sangamon Geosol pedocomplex consists of the Sangamon Geosol and the overlying Farmdale Geosol, which form the most extensive terrestrial record of the last interglacial to glacial transition in the Midwest United States. The geosol complex formed for upwards of 100??ka, extending from the end of MIS 6 through 4 for the Sangamon Geosol, then the Farmdale Geosol for during a brief episode at the end of MIS 3 following slow accumulation and pedogenic modification of eolian silt deposited on top of the Sangamon Geosol. Our study site consists of a buried paleo-hillslope transect that forms a catena, enabling evaluation of slope effects on interglacial-scale soil formation. The Sangamon Geosol is formed in calcareous and illitic glaciogenic sediment. Along the catena the Sangamon Geosol profiles display some morphological changes, namely in terms of colors that we interpret as indicators of differences in drainage. Most thickness and horizonation characteristics are similar all along the transect, with intact upper sola horizons (AE and E horizons) that overlie clay-enriched Bt horizons. The Bt horizons contain abundant clay that exists as illuvial clay coatings, matrix infills, and as mosaic-speckled domains. The clay originated both by in situ weathering and through illuviation from the clay depleted upper sola. Slope does not appear to affect Bt characteristics beyond redder hues of the matrix and clay coatings in the upper slope position. With depth, effects of carbonate leaching and infilling of clay in the matrix decrease and clay coatings are restricted to walls of voids adjacent to aggregates. Clay mineralogy shows illite depletion, but no interstratified kaolinite-expandable minerals, indicating the degree of weathering is not as great as is typical of Sangamon Geosol profiles formed in loess or in glaciogenic sediment of the central Illinois type area. Clay mineralogy is also stratified with depth, coincident with particle size, which probably

  10. Steady-state configuration and tension calculations of marine cables under complex currents via separated particle swarm optimization

    Science.gov (United States)

    Xu, Xue-song

    2014-12-01

    Under complex currents, the motion governing equations of marine cables are complex and nonlinear, and the calculations of cable configuration and tension become difficult compared with those under the uniform or simple currents. To obtain the numerical results, the usual Newton-Raphson iteration is often adopted, but its stability depends on the initial guessed solution to the governing equations. To improve the stability of numerical calculation, this paper proposed separated the particle swarm optimization, in which the variables are separated into several groups, and the dimension of search space is reduced to facilitate the particle swarm optimization. Via the separated particle swarm optimization, these governing nonlinear equations can be solved successfully with any initial solution, and the process of numerical calculation is very stable. For the calculations of cable configuration and tension of marine cables under complex currents, the proposed separated swarm particle optimization is more effective than the other particle swarm optimizations.

  11. DFT study of electron absorption and emission spectra of pyramidal LnPc(OAc) complexes of some lanthanide ions in the solid state

    Science.gov (United States)

    Hanuza, J.; Godlewska, P.; Lisiecki, R.; Ryba-Romanowski, W.; Kadłubański, P.; Lorenc, J.; Łukowiak, A.; Macalik, L.; Gerasymchuk, Yu.; Legendziewicz, J.

    2018-05-01

    The electron absorption and emission spectra were measured for the pyramidal LnPc(OAc) complexes in the solid state and co-doped in silica glass, where Ln = Er, Eu and Ho. The theoretical electron spectra were determined from the quantum chemical DFT calculation using four approximations CAM-B3LYP/LANL2DZ, CAM-B3LYP/CC-PVDZ, B3LYP/LANL2DZ and B3LYP/CC-PVDZ. It was shown that the best agreement between the calculated and experimental structural parameters and spectroscopic data was reached for the CAM-B3LYP/LANL2DZ model. The emission spectra were measured using the excitations both in the ligand and lanthanide absorption ranges. The possibility of energy transfer between the phthalocyanine ligand and excited states of lanthanide ions was discussed. It was shown that the back energy transfer from metal states to phthalocyanine state is responsible for the observed emission of the studied complexes both in the polycrystalline state and silica glass.

  12. Rapid spin-state interconversion in the bis-complex of tris-(1-pyrazolyl) methane with Fe(II) studied by Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Winkler, H.; Trautwein, A.X.; Toftlund, H.

    1992-01-01

    Dynamic spin equilibrium is observed in a complex of the [Fe(II)-N 6 ] type above room temperature. The Moessbauer lineshapes as function of temperature can be understood by means of the random-frequency-modulation model. Taking into accout the different Lamb-Moessbauer factors of the low- and high-spin state yields true populations of the two spin states. The transition rates follow rather well an Arrhenius law. With appropriate assumptions an activation energy ΔE LH =18(1) kJmol -1 is deduced. (orig.)

  13. Position-dependent deuterium isotope effect on photoisomerization of ammineaquarhodium(III) complexes: identification of the excited-state vibronic deactivation mode

    International Nuclear Information System (INIS)

    Skibsted, L.H.

    1987-01-01

    cis to trans Photoisomerization quantum yields are increased by a factor of approximately two by deuteriation of co-ordinated water in tetra-amminediaquarhodium, but are almost insensitive to deuteriation of co-ordinated water in tetra-ammineaquachlororhodium and to deuteriation of co-ordinated ammonia in either complex; this identifies the dominating nonradiative deactivation mode (competing with the excited-state rearrangement) as a hydrogen-oxygen vibration in an excited-state intermediate of reduced co-ordination number. (author)

  14. Selection of the DC-60 cyclotron as the basic facility for the Inter-disciplinary research complex in the L.N. Gumilev Eurasian State University. Chapter 2

    International Nuclear Information System (INIS)

    2003-01-01

    In the Chapter 2 the DC-60 specialized accelerator project of the Inter-disciplinary research complex in the L.N. Gumilev Eurasian State University is described. The DC-60 cyclotron is intended for applied studies which can be accomplished on both the ion beams of the electron cyclotron resonance source with voltage up to 25 kV and the accelerated ions from carbon to xenon. The cyclotron is design on the base of compact magnet with weight about 74 tonnes, and it mean magnetic field is 1.6 T, section angle - 50 Deg. Design of the Inter-disciplinary research complex building in the L.N. Gumilev Eurasian State University is described as well. Technical performances of the building and their parameters are given

  15. Photophysics of Singlet and Triplet Intraligand Excited States in [ReCl(CO)(3)(1-(2-pyridyl)-imidazo[1,5-alpha]pyridine)] Complexes

    Czech Academy of Sciences Publication Activity Database

    Blanco-Rodríguez, A. M.; Kvapilová, Hana; Sýkora, Jan; Towrie, M.; Nervi, C.; Volpi, G.; Záliš, Stanislav; Vlček, Antonín

    2014-01-01

    Roč. 136, č. 16 (2014), s. 5963-5973 ISSN 0002-7863 R&D Projects: GA ČR GBP208/12/G016; GA MŠk LD11086 Institutional support: RVO:61388955 Keywords : CARBONYL-BIPYRIDINE COMPLEXES * RESOLVED INFRARED-SPECTROSCOPY * CHARGE-TRANSFER STATES Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 12.113, year: 2014

  16. Air quality evaluation in the area around the Jorge Lacerda Thermoelectric Complex in Santa Catarina State, Brazil: 1987 to 1991 period

    International Nuclear Information System (INIS)

    Magri, Jose Lourival; Silva, Ligia Bittencourt da

    1993-01-01

    This report presents the results of the Air Quality Monitoring Program carried out by ELETROSUL in the period of 1987 to 1991, in the influence area of the Jorge Lacerda Thermoelectric Complex, in Santa Catarina State, Brazil. The results show that for sulfur dioxide the air quality was good for 95% of the measurements, while for the total suspended particulates the corresponding value was 80%. 9 refs., 3 figs., 1 tab

  17. Advantages of complex scaling only the most diffuse basis functions in simultaneous description of both resonances and bound states

    Czech Academy of Sciences Publication Activity Database

    Landau, A.; Haritan, I.; Kaprálová-Žďánská, Petra Ruth; Moiseyev, N.

    2015-01-01

    Roč. 113, 19-20 (2015), s. 3141-3146 ISSN 0026-8976 R&D Projects: GA MŠk(CZ) LG13029 Institutional support: RVO:68378271 Keywords : resonance * complex scaling * non-Hermitian * ab-initio Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.837, year: 2015

  18. Preliminary Report Regarding State Allocation Board Funding of the Los Angeles Unified School District's Belmont Learning Complex.

    Science.gov (United States)

    Armoudian, Maria; Carman, Georgann; Havan, Artineh; Heron, Frank

    A preliminary report of the California Legislature's Joint Legislative Audit Committee presents findings on the construction team selection process for the Los Angeles Unified School District's (LAUSD's) Belmont Learning Complex. Evidence reveals a seriously flawed process that directly conflicted with existing law and practice. The report…

  19. X-ray structure of a transition state analog complex reveals the molecular origins of the catalytic power and substrate specificity of acetylcholinesterase

    Energy Technology Data Exchange (ETDEWEB)

    Harel, M.; Silman, I. [Weizmann Inst. of Science, Rehovot (Israel); Quinn, D.M.; Nair, H.K. [Univ. of Iowa, Iowa City, IA (United States); Sussman, J.L. [Weizmann Inst. of Science, Rehovot (Israel)]|[Brookhaven National Lab., Upton, NY (United States)

    1996-03-13

    The structure of a complex of Torpedo californica acetylcholinesterase with the transition state analog inhibitor m-(N, N,N-trimethylammonio)-2,2,2-trifluoroacetophenone has been solved by X-ray crystallographic methods to 2.8 A resolution. Since the inhibitor binds to the enzyme about 10{sup 10}-fold more tightly than the substrate acetylcholine, this complex provides a visual accounting of the enzyme-ligand interactions that provide the molecular basis for the catalytic power of acetylcholinesterase. The acetyl ester hydrolytic specificity of the enzyme is revealed by the interaction of the CF{sub 3} function of the transition state analog with a concave binding site comprised of the residues G119, W233, F288, F290, and F331. The highly geometrically convergent array of enzyme-ligand interactions visualized in the complex described herein envelopes the acylation transition state and sequesters it from solvent, this being consistent with the location of the active site at the bottom of a deep and narrow gorge. 82 refs., 5 figs.

  20. Synthesis and characterization of some complexes with imidazole and pyrazole from saccharinate transition ions in oxidation state (II)

    International Nuclear Information System (INIS)

    Pineda Cedeno, Leslie William

    2001-01-01

    The synthesis and characterization of metal ions saccharinate of the first serie of transition with the imidazole and pyrazole molecules in water and absolute ethanol were studied. In general, it found that in this series of saccharinate of coordinated water molecules are replaced by imidazole and pyrazole molecules with different substitution patterns, generating neutral complex of molecular formula [M(Sac) 2 (L) n (H 2 O) n-4 ] and cationic complex of molecular formula [M(L) n (H 2 O) 2 ]x2Sac, [M(L) n (H 2 O) 3 ]x2Sac, [M(L) n ]x2Sac, where M = V(II), Cr(II), Mc(II), Fe(II), Co(II), Ni(II) y Zn(II); Sac = saccharinate ion; L = imidazole (imd) and pyrazole (pir) and n = 6,4,3 and 2. These compounds are soluble in DMF and insoluble in all other common solvents. In turn, synthesized compounds in water were characterized by X ray crystallography, where preliminary data of refinement cycles, generate formulas of isostructural type [M(imd) 4 (H 2 O) 2 ]x2Sac and [M(Sac) 2 (pir) 2 (H 2 O) 2 ] where M = Co(II), Ni(II). The imidazole complex crystallize in the triclinic crystal system and space group P-1, while the pyrazole complexes crystallize in the monoclinic crystal system and space group P2 (1)/n. Gradual diminution was observed in the bond distances of M-N (saccharinate ion), M-N (imidazole) and M-N (pyrazole). The complex was characterized by spectroscopic methods, magnetic and electrochemical. (author) [es

  1. Solid state electrolyte composites based on complex hydrides and metal doped fullerenes/fulleranes for batteries and electrochemical applications

    Science.gov (United States)

    Zidan, Ragaiy; Teprovich, Jr., Joseph A.; Colon-Mercado, Hector R.; Greenway, Scott D.

    2018-05-01

    A LiBH4--C60 nanocomposite that displays fast lithium ionic conduction in the solid state is provided. The material is a homogenous nanocomposite that contains both LiBH4 and a hydrogenated fullerene species. In the presence of C60, the lithium ion mobility of LiBH4 is significantly enhanced in the as prepared state when compared to pure LiBH4. After the material is annealed the lithium ion mobility is further enhanced. Constant current cycling demonstrated that the material is stable in the presence of metallic lithium electrodes. The material can serve as a solid state electrolyte in a solid-state lithium ion battery.

  2. Participation of electronic excited states in the positronium formation mechanism in the Gd(III) pentakis (picrate) complexes with imidazolium countercations

    Energy Technology Data Exchange (ETDEWEB)

    Fulgêncio, F., E-mail: fefulgencio@gmail.com [Departam ento de Química – ICEx Universidade Federal de Minas Gerais – UFMG, Belo Horizonte, MG (Brazil); Borges, A.S. [Coordenadoria de Química e Biologia – Instituto Federal do Espírito Santos – IFES, Campus Vitória, ES (Brazil); Araújo, M.H. [Departam ento de Química – ICEx Universidade Federal de Minas Gerais – UFMG, Belo Horizonte, MG (Brazil); Brito, H.F. [Instituto de Química, Departamento de Química Fundamental, Universidade de São Paulo, São Paulo (Brazil); Oliveira, F.C. [Departamento de Metalurgia e Química, Centro Federal de Educação Tecnológica de Minas Gerais – CEFET-MG, Campus Timóteo, MG (Brazil); Ribeiro, T.; Windmöller, D. [Departam ento de Química – ICEx Universidade Federal de Minas Gerais – UFMG, Belo Horizonte, MG (Brazil); Magalhães, W.F., E-mail: welmag@ufmg.br [Departam ento de Química – ICEx Universidade Federal de Minas Gerais – UFMG, Belo Horizonte, MG (Brazil)

    2016-02-15

    In this work, positron annihilation lifetime (PALS) and optical spectroscopies measurements were performed on [Gd(pic){sub 2}(H{sub 2}O){sub 6}](pic)·6H{sub 2}O and on complexes of general formula C{sub 2}[Gd(pic){sub 5}], where pic corresponds to picrate ligands and C to the countercations butyl-methyl, hexyl-methyl, butyl-ethyl and butyl-butyl imidazoles. Since all of these complexes have high energy ligand-to-metal charge transfer states (LMCTS) but form low amounts of Positronium (Ps), the LMCTS do not act here as a mechanism that suppress luminescence nor prevents Ps formation. This result suggests that, besides LMCTS, other effects should also contribute to prevent Ps formation. The results indicate that the electron withdrawing –NO{sub 2} groups in the picrate ligand are responsible by the effect that prevents Ps formation. Also, a rough correlation between the ligands' triplet states lifetimes and Ps formation was observed. The insertion of electron donor groups (the imidazolium countercations) increased the ligands' first triplet excited states ({sup 3}π{sup ⁎}) lifetimes and Ps formation, indicating that these two spectroscopic parameters are correlated. Also, it is demonstrated that there is no clear correlation between Ps formation probability and the excitation energy of the ligands' first triplet excited states. The results were discussed in terms of the recently proposed Ps formation mechanism, named cybotactic correlated system kinetic mechanism (CCSKM), showing that the Ps formation process involves molecular excited states and is kinetically controlled. - Highlights: • PALS and optical spectroscopies measurements performed on Gd{sup 3+} complexes. • A correlation was obtained between the ligands' {sup 3}π{sup ⁎} lifetimes and Ps formation. • Electronegative groups increased the ligands' {sup 3}π{sup ⁎} lifetimes and Ps formation. • Results discussed in terms of a new Ps formation mechanism (ccskm).

  3. Elastic tunneling identification through crossings, anti-crossings and splitting of states in the complex electronic current of systems based on mesoscopic molecules

    Science.gov (United States)

    López, Luis I. A.; Mendoza, Michel; Ujevic, Sebastian

    2013-09-01

    We have systematically studied the conductance σ( E,B) and the electronic current line shapes J( V ex ) through complex mesoscopic molecules in an elastic resonant tunneling regime. The studied systems are based on GaAs/AlGaAs hetero-structures, with several discrete states in each coupled mesoscopic molecule. The molecules were formed using different wells and barrier widths. These systems allow effective couplings and uncouplings that lead to elastic processes as a function of the electronic potential V ex and magnetic field B. In this situation, the J( V ex ) and σ( E, B) curves exhibit a sequence of peaks of difficult interpretation, in which crossings and anti-crossings (a splitting if it is generated in the resonance condition) of states contribute in a way that they cannot be easily identified. Performing a systematic analysis of the evolution of these states (before the resonance condition), we were able to determine the origin of these current peaks. We have found that the coupling of states (anti-crossing) around the resonance region can be identified as a broad mirrored- D line shape in the J( V ex ) curves. The mirrored- D line shape peaks can be clearly differentiated from the neighboring peaks because the last ones follow a very defined increasing sequence in their intensities and widths. Also, this behavior (fingerprint) can be used to identify possible splitting of states in the J( V ex ). The splittings that are generated between states with different quantum numbers (quantum numbers associated to the individual well) follow an unexpected opposite behavior when compared with those generated between states with the same quantum numbers (quasi-miniband). All these results are also observed in the conductance σ( E, B) associated with complex mesoscopic molecules based on a two-dimensional electron gas.

  4. The Sr:Ba:Rb ratio and zircon typology in granitoid complexes of Sao Paulo, Parana and Minas Gerais states (Brazil)

    International Nuclear Information System (INIS)

    Wernick, E.; Galembeck, T.M.B.; Artur, A.C.; Rigo Junior, L.; Weber-Diefenbach, K.

    1990-01-01

    Chemical (Sr: Ba: Rb) and zircon typology data from the Nazare Paulista, Mairipora/Cantareira, Cunhaporanga, Tres Corregos, Morungaba, Socorro, Itu, Graciosa and Serra Carambei granitoid complexes from the states of Minas Gerais, Sao Paulo and Parana (SE/S Brazil) are presented and discussed. By the zircon typology method these complexes are reffered, respectively, to the 2nd crustal, 3rd crustal/low temperature C-A, low temperature C-A, medium temperature C-A, medium/high temperature C-A, K-SA/Alkaline and alkaline serie which are considered as generated under increasing temperature associated with a progressive major participation of mantellic material. All these series, with the exception of the medium to high temperature calc-alkaline complexes Socorro and Morungaba whose chemical data come from several laboratories, display different positions and behaviour in the Sr: Ba: Rb diagram which reinforce the use of the zircon typology method in the study of granitoids. From the 2nd crustal serie up to the medium temperature C-A serie the complexes show a regular shift in their chemical composition which became progressively richer in Sr and depleted in Rb. The highly differentiades hypersolvus Serra do Carambei granite is strongly enriched in Rb and impoverish in Ba with respect to the Itu and the Graciosa complex which itself is slighly more depleted in Sr than the Itu granite. (author)

  5. Photodynamic effect of light-harvesting, long-lived triplet excited state Ruthenium(II)-polyimine-coumarin complexes: DNA binding, photocleavage and anticancer studies.

    Science.gov (United States)

    Nomula, Raju; Wu, Xueyan; Zhao, Jianzhang; Munirathnam, Nagegownivari R

    2017-10-01

    Two coumarin based Ru II -polyimine complexes (Ru-1 and Ru-2) showing intense absorption of visible light and long-lived triplet excited states (~12-15μs) were used for study of the interaction with DNA. The binding of the complexes with CT-DNA were studied by UV-vis, fluorescence and time-resolved nanosecond transient absorption (ns-TA) spectroscopy. The results suggesting that the complexes interact with CT-DNA by intercalation mode of binding, showing the binding constants (K b ) 6.47×10 4 for Ru-1 and 5.94×10 4 M -1 for Ru-2, in contrast no such results were found for Ru-0. The nanosecond transient absorption spectra of these systems in the presence of CT-DNA showing a clear perturbation in the bleaching region was observed compare to buffer alone. Visible light photoirradiation DNA cleavage was investigated for these complexes by treating with the supercoiled pUC19 DNA and irradiated at 450nm. The reactive species produced upon irradiation of current agents is singlet oxygen ( 1 O 2 ), which results in the generation of other reactive oxygen species (ROS). The complexes shown efficient cleavage activity, converted complete supercoiled DNA to nicked circular at as low as 20μM concentration in 30min of light irradiation time. Significant amount of linear form was generated by Ru-1 at the same conditions. Even though Ru-0 has significant 1 O 2 quantum yield but shown lower cleavage activity compared to other two analogs is due the miserable interaction (binding) with DNA. The cytotoxicity in vitro of the complexes toward HeLa, BEL-7402 and MG-63 cells was assessed by MTT assay. The cellular uptake was observed on BEL-7402 cells under fluorescence microscope. The complexes shown appreciable cytotoxicity towards the cancer cell lines. Copyright © 2017 Elsevier B.V. All rights reserved.

  6. Correlation of Solid State and Solution Coordination Numbers with Infrared Spectroscopy in Five-, Six-, and Eight-Coordinate Transition Metal Complexes of DOTAM.

    Science.gov (United States)

    Nagata, Maika K C T; Brauchle, Paul S; Wang, Sen; Briggs, Sarah K; Hong, Young Soo; Laorenza, Daniel W; Lee, Andrea G; Westmoreland, T David

    2016-08-16

    Three new DOTAM (1,4,7,10-tetrakis(acetamido)-1,4,7,10-tetraazacyclododecane) complexes have been synthesized and characterized by X-ray crystallography: [Co(DOTAM)]Cl 2 •3H 2 O, [Ni(DOTAM)]Cl 2 •4H 2 O, and [Cu(DOTAM)](ClO 4 ) 2 •H 2 O. Solid state and solution IR spectroscopic features for a series of [M(DOTAM)] 2+ complexes (M=Mn, Co, Cu, Ni, Ca, Zn) correlate with solid state and solution coordination numbers. [Co(DOTAM)] 2+ , [Ni(DOTAM)] 2+ , and [Zn(DOTAM)] 2+ are demonstrated to be six-coordinate in both the solid state and in solution, while [Mn(DOTAM)] 2+ and [Ca(DOTAM)] 2+ are eight-coordinate in the solid state and remain so in solution. [Cu(DOTAM)] 2+ , which is five-coordinate by X-ray crystallography, is shown to increase its coordination number in solution to six-coordinate.

  7. United States Support Programme (USSP): Lessons Learned from the Management of Complex, Multi-Stakeholder Projects for International Safeguards

    International Nuclear Information System (INIS)

    Diaz, R.; Tackentien, J.

    2015-01-01

    This paper will review USSP experiences, lessons learned, and proposed future strategies on the management of complex projects including the Universal Non-Destructive Assay Data Acquisition Platform (UNAP) instrument development task. The focus will be on identifying lessons learned to formulate strategies to minimize risk and maximize the potential of commercial success for future complex projects. Topics planned for inclusion are: 1. Initial agreement amongst all stakeholders on the justification of the need of the development including market studies of existing/near term future COTS technology capabilities; 2. Initial confirmation that there is a market for the product other than the IAEA to reduce investment risk; 3. Agreement on an accelerated initial project schedule from request acceptance to commercial unit production including per unit cost and quantities; 4. During product development, obtaining periodic customer reaffirmation of the need and quantities for the product per the existing schedule and per unit price. (author)

  8. The energetic state of mitochondria modulates complex III biogenesis through the ATP-dependent activity of Bcs1.

    Science.gov (United States)

    Ostojić, Jelena; Panozzo, Cristina; Lasserre, Jean-Paul; Nouet, Cécile; Courtin, Florence; Blancard, Corinne; di Rago, Jean-Paul; Dujardin, Geneviève

    2013-10-01

    Our understanding of the mechanisms involved in mitochondrial biogenesis has continuously expanded during the last decades, yet little is known about how they are modulated to optimize the functioning of mitochondria. Here, we show that mutations in the ATP binding domain of Bcs1, a chaperone involved in the assembly of complex III, can be rescued by mutations that decrease the ATP hydrolytic activity of the ATP synthase. Our results reveal a Bcs1-mediated control loop in which the biogenesis of complex III is modulated by the energy-transducing activity of mitochondria. Although ATP is well known as a regulator of a number of cellular activities, we show here that ATP can be also used to modulate the biogenesis of an enzyme by controlling a specific chaperone involved in its assembly. Our study further highlights the intramitochondrial adenine nucleotide pool as a potential target for the treatment of Bcs1-based disorders. Copyright © 2013 Elsevier Inc. All rights reserved.

  9. The Pagoda Sequence: a Ramble through Linear Complexity, Number Walls, D0L Sequences, Finite State Automata, and Aperiodic Tilings

    Directory of Open Access Journals (Sweden)

    Fred Lunnon

    2009-06-01

    Full Text Available We review the concept of the number wall as an alternative to the traditional linear complexity profile (LCP, and sketch the relationship to other topics such as linear feedback shift-register (LFSR and context-free Lindenmayer (D0L sequences. A remarkable ternary analogue of the Thue-Morse sequence is introduced having deficiency 2 modulo 3, and this property verified via the re-interpretation of the number wall as an aperiodic plane tiling.

  10. The complex synthesis and solid state chemistry of ceria-lanthana solid solutions prepared via a hexamethylenetetramine precipitation

    International Nuclear Information System (INIS)

    Fleming, P.G.; Holmes, J.D.; Otway, D.J.; Morris, M.A.

    2011-01-01

    Mixed oxide solid solutions are becoming ever more commercially important across a range of applications. However, their synthesis can be problematical. Here, we show that ceria-lanthana solid solutions can be readily prepared via simple precipitation using hexamethylenetetramine. However, the solution chemistry can be complex, which results in the precipitated particles having a complex structure and morphology. Great care must be taken in both the synthesis and characterisation to quantify the complexity of the product. Even very high heat treatments were not able to produce highly homogeneous materials and X-ray diffractions reveals the non-equilibrium form of particles prepared in this way. Unexpected crystal structures are revealed including a new metastable cubic La 2 O 3 phase. - Graphical abstract: The suggested mechanism for the formation of dual fluorite phase particles, where Step 1 corresponds to room temperature aging, Step 2; heating the solution to 90 deg. C, Step 3; cooling of the solution to room temperature, Step 4; calcination to 500 deg. C, Step 5; calcination to 700 deg. C and Step 6; calcination to 1300 deg. C. The terminology of e.g. La 1-x Ce x (OH) 3 is used to indicate the formation of a mixed oxy-hydroxy participate rather than a definitive assignment of stoichiometry. Similarly, La 1-y Ce y O 2 only implies a mixed solid solution. Highlights: → Mol% of prepared Ce-La oxides did not follow that of reactant mol%. → Complex reaction pathway found to be dependent on metal solution concentrations. → At certain concentrations core shell particles were found to form. → A reaction model was produced based on cationic solubility. → Report lanthana solubility higher than previously reported in CeO 2 .

  11. Characterization of the low-temperature triplet state of chlorophyll in photosystem II core complexes: Application of phosphorescence measurements and Fourier transform infrared spectroscopy.

    Science.gov (United States)

    Zabelin, Alexey A; Neverov, Konstantin V; Krasnovsky, Alexander A; Shkuropatova, Valentina A; Shuvalov, Vladimir A; Shkuropatov, Anatoly Ya

    2016-06-01

    Phosphorescence measurements at 77 K and light-induced FTIR difference spectroscopy at 95 K were applied to study of the triplet state of chlorophyll a ((3)Chl) in photosystem II (PSII) core complexes isolated from spinach. Using both methods, (3)Chl was observed in the core preparations with doubly reduced primary quinone acceptor QA. The spectral parameters of Chl phosphorescence resemble those in the isolated PSII reaction centers (RCs). The main spectral maximum and the lifetime of the phosphorescence corresponded to 955±1 nm and of 1.65±0.05 ms respectively; in the excitation spectrum, the absorption maxima of all core complex pigments (Chl, pheophytin a (Pheo), and β-carotene) were observed. The differential signal at 1667(-)/1628(+)cm(-1) reflecting a downshift of the stretching frequency of the 13(1)-keto C=O group of Chl was found to dominate in the triplet-minus-singlet FTIR difference spectrum of core complexes. Based on FTIR results and literature data, it is proposed that (3)Chl is mostly localized on the accessory chlorophyll that is in triplet equilibrium with P680. Analysis of the data suggests that the Chl triplet state responsible for the phosphorescence and the FTIR difference spectrum is mainly generated due to charge recombination in the reaction center radical pair P680(+)PheoD1(-), and the energy and temporal parameters of this triplet state as well as the molecular environment and interactions of the triplet-bearing Chl molecule are similar in the PSII core complexes and isolated PSII RCs. Copyright © 2016 Elsevier B.V. All rights reserved.

  12. Solid-state flurbiprofen and methyl-β-cyclodextrin inclusion complexes prepared using a single-step, organic solvent-free supercritical fluid process.

    Science.gov (United States)

    Rudrangi, Shashi Ravi Suman; Kaialy, Waseem; Ghori, Muhammad U; Trivedi, Vivek; Snowden, Martin J; Alexander, Bruce David

    2016-07-01

    The aim of this study was to enhance the apparent solubility and dissolution properties of flurbiprofen through inclusion complexation with cyclodextrins. Especially, the efficacy of supercritical fluid technology as a preparative technique for the preparation of flurbiprofen-methyl-β-cyclodextrin inclusion complexes was evaluated. The complexes were prepared by supercritical carbon dioxide processing and were evaluated by solubility, differential scanning calorimetry, X-ray powder diffraction, scanning electron microscopy, practical yield, drug content estimation and in vitro dissolution studies. Computational molecular docking studies were conducted to study the possibility of molecular arrangement of inclusion complexes between flurbiprofen and methyl-β-cyclodextrin. The studies support the formation of stable molecular inclusion complexes between the drug and cyclodextrin in a 1:1 stoichiometry. In vitro dissolution studies showed that the dissolution properties of flurbiprofen were significantly enhanced by the binary mixtures prepared by supercritical carbon dioxide processing. The amount of flurbiprofen dissolved into solution alone was very low with 1.11±0.09% dissolving at the end of 60min, while the binary mixtures processed by supercritical carbon dioxide at 45°C and 200bar released 99.39±2.34% of the drug at the end of 30min. All the binary mixtures processed by supercritical carbon dioxide at 45°C exhibited a drug release of more than 80% within the first 10min irrespective of the pressure employed. The study demonstrated the single step, organic solvent-free supercritical carbon dioxide process as a promising approach for the preparation of inclusion complexes between flurbiprofen and methyl-β-cyclodextrin in solid-state. Copyright © 2016 Elsevier B.V. All rights reserved.

  13. Capturing the photo-signaling state of a photoreceptor in a steady-state fashion by binding a transition metal complex.

    Science.gov (United States)

    Yu, Pengyun; Song, Lei; Qin, Jun; Wang, Jianping

    2017-11-01

    Binding a small molecule to proteins causes conformational changes, but often to a limited extent. Here, we demonstrate that the interaction of a CO-releasing molecule (CORM3) with a photoreceptor photoactive yellow protein (PYP) drives large structural changes in the latter. The interaction of CORM3 and a mutant of PYP, Met100Ala, not only trigger the isomerization of its chromophore, p-coumaric acid, from its anionic trans configuration to a protonated cis configuration, but also increases the content of β-sheet at the cost of α-helix and random coil in the secondary structure of the protein. The CORM3 derived Met100Ala is found to highly resemble the signaling state, which is one of the key photo-intermediates of this photoactive protein, in both protein local conformation and chromophore configuration. The organometallic reagents hold promise as protein engineering tools. This work highlights a novel approach to structurally accessing short lived intermediates of proteins in a steady-state fashion. © 2017 The Protein Society.

  14. Magmatism and fenitization in the Cretaceous potassium-alkaline-carbonatitic complex of Ipanema São Paulo State, Brazil

    Science.gov (United States)

    Guarino, Vincenza; Azzone, Rogério Guitarrari; Brotzu, Pietro; de Barros Gomes, Celso; Melluso, Leone; Morbidelli, Lucio; Ruberti, Excelso; Tassinari, Colombo Celso Gaeta; Brilli, Mauro

    2012-01-01

    The Ipanema alkaline-carbonatitic complex is part of the Meso-Cenozoic alkaline magmatism located within the southeastern part of the Brazilian Platform. Drill-core and field sampling have indicated the occurrence of glimmerites, with subordinate shonkinites (mela-syenites), clinopyroxene-bearing glimmerites, diorites and syenites. The glimmerites are cross-cut by lamprophyric dykes and calciocarbonatites. Fenitization has deeply affected the country rocks, originating dioritic and syenitic rocks. The Ipanema rocks show a distinct potassic affinity. The initial Sr-Nd- isotopic composition of the Ipanema rocks (87Sr/86Sr = 0.70661-0.70754 and 143Nd/144Nd = 0.51169-0.51181) is similar to that of tholeiitic and potassium-rich-alkaline rocks of the Eastern Paraguay. Stable isotope data for the Ipanema calciocarbonatite suggest interaction with fluids at temperatures typical of hydrothermal stages, as hypothesized for other carbonatite complexes from southeastern Brazil. The chemical differences between the lamprophyre, glimmerites, carbonatites, apatitites and magnetitites, and the absence of marked REE enrichment in the evolved lithologies, all indicate that fractional crystallization and accumulus of liquidus phases in a magma reservoir, likely coupled with liquid immiscibility processes, may have played an important role in the genesis of the Ipanema rocks.

  15. A thermogravimetric analysis (TGA) method developed for estimating the stoichiometric ratio of solid-state {alpha}-cyclodextrin-based inclusion complexes

    Energy Technology Data Exchange (ETDEWEB)

    Bai, Yuxiang; Wang, Jinpeng; Bashari, Mohanad; Hu, Xiuting [The State Key Laboratory of Food Science and Technology, School of Food Science and Technology, Jiangnan University, Wuxi 214122 (China); Feng, Tao [School of Perfume and Aroma Technology, Shanghai Institute of Technology, Shanghai 201418 (China); Xu, Xueming [The State Key Laboratory of Food Science and Technology, School of Food Science and Technology, Jiangnan University, Wuxi 214122 (China); Jin, Zhengyu, E-mail: jinlab2008@yahoo.com [The State Key Laboratory of Food Science and Technology, School of Food Science and Technology, Jiangnan University, Wuxi 214122 (China); Tian, Yaoqi, E-mail: yqtian@jiangnan.edu.cn [The State Key Laboratory of Food Science and Technology, School of Food Science and Technology, Jiangnan University, Wuxi 214122 (China)

    2012-08-10

    Highlights: Black-Right-Pointing-Pointer We develop a TGA method for the measurement of the stoichiometric ratio. Black-Right-Pointing-Pointer A series of formulas are deduced to calculate the stoichiometric ratio. Black-Right-Pointing-Pointer Four {alpha}-CD-based inclusion complexes were successfully prepared. Black-Right-Pointing-Pointer The developed method is applicable. - Abstract: An approach mainly based on thermogravimetric analysis (TGA) was developed to evaluate the stoichiometric ratio (SR, guest to host) of the guest-{alpha}-cyclodextrin (Guest-{alpha}-CD) inclusion complexes (4-cresol-{alpha}-CD, benzyl alcohol-{alpha}-CD, ferrocene-{alpha}-CD and decanoic acid-{alpha}-CD). The present data obtained from Fourier transform-infrared (FT-IR) spectroscopy showed that all the {alpha}-CD-based inclusion complexes were successfully prepared in a solid-state form. The stoichiometric ratios of {alpha}-CD to the relative guests (4-cresol, benzyl alcohol, ferrocene and decanoic acid) determined by the developed method were 1:1, 1:2, 2:1 and 1:2, respectively. These SR data were well demonstrated by the previously reported X-ray diffraction (XRD) method and the NMR confirmatory experiments, except the SR of decanoic acid with a larger size and longer chain was not consistent. It is, therefore, suggested that the TGA-based method is applicable to follow the stoichiometric ratio of the polycrystalline {alpha}-CD-based inclusion complexes with smaller and shorter chain guests.

  16. A thermogravimetric analysis (TGA) method developed for estimating the stoichiometric ratio of solid-state α-cyclodextrin-based inclusion complexes

    International Nuclear Information System (INIS)

    Bai, Yuxiang; Wang, Jinpeng; Bashari, Mohanad; Hu, Xiuting; Feng, Tao; Xu, Xueming; Jin, Zhengyu; Tian, Yaoqi

    2012-01-01

    Highlights: ► We develop a TGA method for the measurement of the stoichiometric ratio. ► A series of formulas are deduced to calculate the stoichiometric ratio. ► Four α-CD-based inclusion complexes were successfully prepared. ► The developed method is applicable. - Abstract: An approach mainly based on thermogravimetric analysis (TGA) was developed to evaluate the stoichiometric ratio (SR, guest to host) of the guest–α-cyclodextrin (Guest-α-CD) inclusion complexes (4-cresol-α-CD, benzyl alcohol-α-CD, ferrocene-α-CD and decanoic acid-α-CD). The present data obtained from Fourier transform-infrared (FT-IR) spectroscopy showed that all the α-CD-based inclusion complexes were successfully prepared in a solid-state form. The stoichiometric ratios of α-CD to the relative guests (4-cresol, benzyl alcohol, ferrocene and decanoic acid) determined by the developed method were 1:1, 1:2, 2:1 and 1:2, respectively. These SR data were well demonstrated by the previously reported X-ray diffraction (XRD) method and the NMR confirmatory experiments, except the SR of decanoic acid with a larger size and longer chain was not consistent. It is, therefore, suggested that the TGA-based method is applicable to follow the stoichiometric ratio of the polycrystalline α-CD-based inclusion complexes with smaller and shorter chain guests.

  17. Two conformational states of the membrane-associated Bacillus thuringiensis Cry4Ba δ-endotoxin complex revealed by electron crystallography: Implications for toxin-pore formation

    International Nuclear Information System (INIS)

    Ounjai, Puey; Unger, Vinzenz M.; Sigworth, Fred J.; Angsuthanasombat, Chanan

    2007-01-01

    The insecticidal nature of Cry δ-endotoxins produced by Bacillus thuringiensis is generally believed to be caused by their ability to form lytic pores in the midgut cell membrane of susceptible insect larvae. Here we have analyzed membrane-associated structures of the 65-kDa dipteran-active Cry4Ba toxin by electron crystallography. The membrane-associated toxin complex was crystallized in the presence of DMPC via detergent dialysis. Depending upon the charge of the adsorbed surface, 2D crystals of the oligomeric toxin complex have been captured in two distinct conformations. The projection maps of those crystals have been generated at 17 A resolution. Both complexes appeared to be trimeric; as in one crystal form, its projection structure revealed a symmetrical pinwheel-like shape with virtually no depression in the middle of the complex. The other form revealed a propeller-like conformation displaying an obvious hole in the center region, presumably representing the toxin-induced pore. These crystallographic data thus demonstrate for the first time that the 65-kDa activated Cry4Ba toxin in association with lipid membranes could exist in at least two different trimeric conformations, conceivably implying the closed and open states of the pore

  18. Phobias of attachment-related inner states in the psychotherapy of adult survivors of childhood complex trauma.

    Science.gov (United States)

    Liotti, Giovanni

    2013-11-01

    The clinical case described in this article illustrates the value of taking into account the dynamics of disorganized attachment in the assessment of attachment-related phobias (phobia of attachment and phobia of attachment loss) during the psychotherapy of chronically traumatized patients. These seemingly opposite phobias typically coexist in the same patient, appear as phobias of both inner states (affect phobias) and relational experiences, and are linked to dissociated representations of self-with-other. Theory and research on attachment disorganization provide a clinician-friendly conceptual framework for capturing both the intrapsychic (e.g., intrusive and nonintegrated mental states) and the relational (e.g., dramatic unsolvable dilemmas in interpersonal exchanges) aspects of the attachment-related phobias. The therapeutic strategy and the key interventions that logically follow from a case formulation based on this conceptual framework are examined. © 2013 Wiley Periodicals, Inc.

  19. Preliminary assessment of nuclear energy centers and energy systems complexes in the western United States. Final report

    International Nuclear Information System (INIS)

    Gottlieb, P.; Robinson, J.H.; Smith, D.R.

    1978-02-01

    The Nuclear Energy Center siting opportunities in the eleven western states have been systematically examined. The study area has been divided into 10-mile by 10-mile grid cells, and each cell has been evaluated in terms of overall suitability and site-related costs. Composite suitability consists of a weighted sum of ten important nuclear power plant siting issues; the particular weights used for this study were decided by a Delphi session of twenty individuals with energy facility siting expertise, with at least one representative from each of the eleven western states. Site-related costs consist of the additional expenditures required for seismic hardening (in seismically active areas), electric power transmission lines (for sites significantly far from load centers), and wet/dry cooling system costs

  20. Preliminary assessment of nuclear energy centers and energy systems complexes in the western United States. Final report

    Energy Technology Data Exchange (ETDEWEB)

    Gottlieb, P.; Robinson, J.H.; Smith, D.R.

    1978-02-01

    The Nuclear Energy Center siting opportunities in the eleven western states have been systematically examined. The study area has been divided into 10-mile by 10-mile grid cells, and each cell has been evaluated in terms of overall suitability and site-related costs. Composite suitability consists of a weighted sum of ten important nuclear power plant siting issues; the particular weights used for this study were decided by a Delphi session of twenty individuals with energy facility siting expertise, with at least one representative from each of the eleven western states. Site-related costs consist of the additional expenditures required for seismic hardening (in seismically active areas), electric power transmission lines (for sites significantly far from load centers), and wet/dry cooling system costs (limited water availability and/or high summer temperatures).

  1. A multi-modal geological investigation framework for subsurface modeling and kinematic monitoring of a slow-moving landslide complex in Colorado, United States

    Science.gov (United States)

    Lowry, B. W.; Zhou, W.; Smartgeo

    2010-12-01

    The Muddy Creek landslide complex is a large area of active and reactivating landslides that impact the operation of both a state highway and Paonia Reservoir in Gunnison County, Colorado, United States. Historically, the monitoring of this slide has been investigated using disparate techniques leading to protracted analysis and project knowledge attrition. We present an integrated, data-driven investigation framework that supports continued kinematic monitoring, document cataloging, and subsurface modeling of the landslide complex. A geospatial information system (GIS) was integrated with a visual programming based subsurface model to facilitate modular integration of monitoring data with borehole information. Subsurface modeling was organized by material type and activity state based on multiple sources of kinematic measurement. The framework is constructed to modularly integrate remotely sensed imagery and other spatial datasets such as ASTER, InSAR, and LiDAR derived elevation products as more precise datasets become available. The framework allows for terrestrial LiDAR survey error estimation, borehole siting, and placement of wireless sensor (GPS, accelerometers, geophysical ) networks for optimized spatial relevance and utility. Coordinated spatial referencing within the GIS facilitates geotechnical and hydrogeological modeling input generation and common display of modeling outputs. Kinematic data fusion techniques are accomplished with integration of instrumentation, surficial feature tracking, subsurface classification, and 3D interpolation. The framework includes dynamic decision support including landslide dam failure estimates, back-flooding scenario planning that can be accessed by multiple agencies and stakeholders.

  2. Encapsulating model complexity and landscape-scale analyses of state-and-transition simulation models: an application of ecoinformatics and juniper encroachment in sagebrush steppe ecosystems

    Science.gov (United States)

    O'Donnell, Michael

    2015-01-01

    State-and-transition simulation modeling relies on knowledge of vegetation composition and structure (states) that describe community conditions, mechanistic feedbacks such as fire that can affect vegetation establishment, and ecological processes that drive community conditions as well as the transitions between these states. However, as the need for modeling larger and more complex landscapes increase, a more advanced awareness of computing resources becomes essential. The objectives of this study include identifying challenges of executing state-and-transition simulation models, identifying common bottlenecks of computing resources, developing a workflow and software that enable parallel processing of Monte Carlo simulations, and identifying the advantages and disadvantages of different computing resources. To address these objectives, this study used the ApexRMS® SyncroSim software and embarrassingly parallel tasks of Monte Carlo simulations on a single multicore computer and on distributed computing systems. The results demonstrated that state-and-transition simulation models scale best in distributed computing environments, such as high-throughput and high-performance computing, because these environments disseminate the workloads across many compute nodes, thereby supporting analysis of larger landscapes, higher spatial resolution vegetation products, and more complex models. Using a case study and five different computing environments, the top result (high-throughput computing versus serial computations) indicated an approximate 96.6% decrease of computing time. With a single, multicore compute node (bottom result), the computing time indicated an 81.8% decrease relative to using serial computations. These results provide insight into the tradeoffs of using different computing resources when research necessitates advanced integration of ecoinformatics incorporating large and complicated data inputs and models. - See more at: http://aimspress.com

  3. “Covalent Hydration” Reactions in Model Monomeric Ru 2,2'-Bipyridine Complexes: Thermodynamic Favorability as a Function of Metal Oxidation and Overall Spin States

    Energy Technology Data Exchange (ETDEWEB)

    Ozkanlar, Abdullah; Cape, Jonathan L.; Hurst, James K.; Clark, Aurora E.

    2011-09-05

    Density functional theory (DFT) has been used to investigate the plausibility of water addition to the simple mononuclear ruthenium complexes, [(NH{sub 3}){sub 3}(bpy)Ru=O]{sup 2+}/{sup 3+} and [(NH{sub 3}){sub 3}(bpy)RuOH]{sup 3+}, in which the OH fragment adds to the 2,2{prime}-bipyridine (bpy) ligand. Activation of bpy toward water addition has frequently been postulated within the literature, although there exists little definitive experimental evidence for this type of 'covalent hydration'. In this study, we examine the energetic dependence of the reaction upon metal oxidation state, overall spin state of the complex, as well as selectivity for various positions on the bipyridine ring. The thermodynamic favorability is found to be highly dependent upon all three parameters, with free energies of reaction that span favorable and unfavorable regimes. Aqueous addition to [(NH{sub 3}){sub 3}(bpy)Ru=O]{sup 3+} was found to be highly favorable for the S = 1/2 state, while reduction of the formal oxidation state on the metal center makes the reaction highly unfavorable. Examination of both facial and meridional isomers reveals that when bipyridine occupies the position trans to the ruthenyl oxo atom, reactivity toward OH addition decreases and the site preferences are altered. The electronic structure and spectroscopic signatures (EPR parameters and simulated spectra) have been determined to aid in recognition of 'covalent hydration' in experimental systems. EPR parameters are found to uniquely characterize the position of the OH addition to the bpy as well as the overall spin state of the system.

  4. Modeling of charge-transfer transitions and excited states in d6 transition metal complexes by DFT techniques

    Czech Academy of Sciences Publication Activity Database

    Vlček, Antonín; Záliš, Stanislav

    2007-01-01

    Roč. 251, 3-4 (2007), s. 258-287 ISSN 0010-8545 R&D Projects: GA MŠk 1P05OC068; GA MŠk OC 139 Institutional research plan: CEZ:AV0Z40400503 Keywords : charge-transfer transition * DFT technique * excited states * spectroscopy Subject RIV: CG - Electrochemistry Impact factor: 8.568, year: 2007

  5. Satellite remote sensing of landscape freeze/thaw state dynamics for complex Topography and Fire Disturbance Areas Using multi-sensor radar and SRTM digital elevation models

    Science.gov (United States)

    Podest, Erika; McDonald, Kyle; Kimball, John; Randerson, James

    2003-01-01

    We characterize differences in radar-derived freeze/thaw state, examining transitions over complex terrain and landscape disturbance regimes. In areas of complex terrain, we explore freezekhaw dynamics related to elevation, slope aspect and varying landcover. In the burned regions, we explore the timing of seasonal freeze/thaw transition as related to the recovering landscape, relative to that of a nearby control site. We apply in situ biophysical measurements, including flux tower measurements to validate and interpret the remotely sensed parameters. A multi-scale analysis is performed relating high-resolution SAR backscatter and moderate resolution scatterometer measurements to assess trade-offs in spatial and temporal resolution in the remotely sensed fields.

  6. Influence of physiologically active complex isolated from human amnion on lipid peroxide oxidation state and antioxidant activity of blood in rats after irradiation in different doses

    International Nuclear Information System (INIS)

    Borshchevs'ka, M.Yi.; Popov, V.V.; Abramova, L.P.; Kuz'myinova, Yi.A.

    1995-01-01

    The authors have studied the influence of physiologically active complex isolated from human amnion on the state of lipid peroxide oxidation according to diene conjugate and malonic dialdehyde amount and antioxidant enzyme activity (catalase and glutationperoxidase) in the blood of the rats exposed to single total irradiation in different doses (4 and 6 Gy) was studied. Definite changes of peroxide process intensity and reduction of the enzymes activity were shown to be observed in the blood of experimental animals even at long terms after the radiation exposure. Under the background of radiation exposure, administration of physiologically active complex isolated from human amnion produced protective effect on antioxidant enzyme activity which promoted normalization of peroxidation processes within the post-radiation period

  7. Kinetic Isotope Effect Determination Probes the Spin of the Transition State, Its Stereochemistry, and Its Ligand Sphere in Hydrogen Abstraction Reactions of Oxoiron(IV) Complexes.

    Science.gov (United States)

    Mandal, Debasish; Mallick, Dibyendu; Shaik, Sason

    2018-01-16

    This Account outlines interplay of theory and experiment in the quest to identify the reactive-spin-state in chemical reactions that possess a few spin-dependent routes. Metalloenzymes and synthetic models have forged in recent decades an area of increasing appeal, in which oxometal species bring about functionalization of hydrocarbons under mild conditions and via intriguing mechanisms that provide a glimpse of Nature's designs to harness these reactions. Prominent among these are oxoiron(IV) complexes, which are potent H-abstractors. One of the key properties of oxoirons is the presence of close-lying spin-states, which can mediate H-abstractions. As such, these complexes form a fascinating chapter of spin-state chemistry, in which chemical reactivity involves spin-state interchange, so-called two-state reactivity (TSR) and multistate reactivity (MSR). TSR and MSR pose mechanistic challenges. How can one determine the structure of the reactive transition state (TS) and its spin state for these mechanisms? Calculations can do it for us, but the challenge is to find experimental probes. There are, however, no clear kinetic signatures for the reactive-spin-state in such reactions. This is the paucity that our group has been trying to fill for sometime. Hence, it is timely to demonstrate how theory joins experiment in realizing this quest. This Account uses a set of the H-abstraction reactions of 24 synthetic oxoiron(IV) complexes and 11 hydrocarbons, together undergoing H-abstraction reactions with TSR/MSR options, which provide experimentally determined kinetic isotope effect (KIE exp ) data. For this set, we demonstrate that comparing KIE exp results with calculated tunneling-augmented KIE (KIE TC ) data leads to a clear identification of the reactive spin-state during H-abstraction reactions. In addition, generating KIE exp data for a reaction of interest, and comparing these to KIE TC values, provides the mechanistic chemist with a powerful capability to

  8. Investigation of the Effect of Small Hardening Spots Created on the Sample Surface by Laser Complex with Solid-State Laser

    Science.gov (United States)

    Nozdrina, O.; Zykov, I.; Melnikov, A.; Tsipilev, V.; Turanov, S.

    2018-03-01

    This paper describes the results of an investigation of the effect of small hardening spots (about 1 mm) created on the surface of a sample by laser complex with solid-state laser. The melted area of the steel sample is not exceed 5%. Steel microhardness change in the region subjected to laser treatment is studied. Also there is a graph of the deformation of samples dependence on the tension. As a result, the yield plateau and plastic properties changes were detected. The flow line was tracked in the series of speckle photographs. As a result we can see how mm surface inhomogeneity can influence on the deformation and strength properties of steel.

  9. Antibodies against major histocompatibility complex class II antigens directly inhibit the growth of T cells infected with Theileria parva without affecting their state of activation

    OpenAIRE

    Eichhorn, M; Prospero, T D; Heussler, Volker; Dobbelaere, D A

    1993-01-01

    We have analyzed the effect of antibodies (Abs) directed against major histocompatibility complex (MHC) class II Abs on the proliferation of Theileria parva-infected (Tpi) T cells. Anti-MHC class II Abs exert a direct effect on Tpi T cells causing an acute block in their proliferation. The inhibition does not involve apoptosis and is also entirely reversible. The rapid arrest of DNA synthesis caused by anti- MHC class II Abs is not due to interference with the state of activation of the T cel...

  10. Effects of clofibric acid on the activity and activity state of the hepatic branched-chain 2-oxo acid dehydrogenase complex.

    OpenAIRE

    Zhao, Y; Jaskiewicz, J; Harris, R A

    1992-01-01

    Feeding clofibric acid to rats caused little or no change in total activity of the liver branched-chain 2-oxo acid dehydrogenase complex (BCODC). No change in mass of liver BCODC was detected by immunoblot analysis in response to dietary clofibric acid. No changes in abundance of mRNAs for the BCODC E1 alpha, E1 beta and E2 subunits were detected by Northern-blot analysis. Likewise, dietary clofibric acid had no effect on the activity state of liver BCODC (percentage of enzyme in the dephosph...

  11. Imaging ultrafast excited state pathways in transition metal complexes by X-ray transient absorption and scattering using X-ray free electron laser source

    DEFF Research Database (Denmark)

    Chen, Lin X; Shelby, Megan L; Lestrange, Patrick J

    2016-01-01

    This report will describe our recent studies of transition metal complex structural dynamics on the fs and ps time scales using an X-ray free electron laser source, Linac Coherent Light Source (LCLS). Ultrafast XANES spectra at the Ni K-edge of nickel(ii) tetramesitylporphyrin (NiTMP) were measured...... on the low-energy shoulder of the edge, which is aided by the computation of X-ray transitions for postulated excited electronic states. The observed and computed inner shell to valence orbital transition energies demonstrate and quantify the influence of the electronic configuration on specific metal...

  12. The orbital ground state of the azide-substrate complex of human heme oxygenase is an indicator of distal H-bonding: Implications for the enzyme mechanism‡

    OpenAIRE

    Ogura, Hiroshi; Evans, John P.; Peng, Dungeng; Satterlee, James D.; de Montellano, Paul R. Ortiz; Mar, Gerd N. La

    2009-01-01

    The active site electronic structure of the azide complex of substrate-bound human heme oxygenase-1, (hHO) has been investigated by 1H NMR spectroscopy to shed light on the orbital/spin ground state as an indicator of the unique distal pocket environment of the enzyme. 2D 1H NMR assignments of the substrate and substrate-contact residue signals reveal a pattern of substrate methyl contact shifts, that places the lone iron π-spin in the dxz orbital, rather than the dyz orbital found in the cya...

  13. DYNAMICS OF DEVELOPMENT OF FINANCIAL SAFETY OF THE ENTERPRISE AS A COMPLEX ECONOMIC SECURITY OF THE STATE

    Directory of Open Access Journals (Sweden)

    Tetiana Ganushchak

    2017-09-01

    Full Text Available The purpose of the paper is to the performance of the evaluation of the financial safety of the enterprise. To achieve the stated aim it has been necessary to solve the following tasks: to use the approaches as to the evaluation of the financial safety of the enterprise, to introduce the analysis system of the financial safety of the enterprise, to consider the structural logical scheme of the analysis procedure of the financial safety of the enterprise, to give the description of the integral indicator of the financial safety of the enterprise; to evaluate and compare companies in the paltry industry according to the level of their financial safety. Methodology. Methodologial basis of the research are the scientific methods, such as : method of logical generalization, dialectical method of recognition of the economic phenomena – to give the definitions of «economic security of the enterprise», «financial security of the enterprise», grouping method, analysis which were used to estimate indicator position of the financial security of the poultry company, graph method which was applied to compare integral estimation of the enterprise;methods of synthesis, deduction, induction, method of the expert estimation to calculate and implement integral marker of the financial security of the poultry company;method of the correlation analysis which was used to identify weight coefficients of the all sided figures of the solvency , business activity, profitability, financial steadiness, pay ability. The priority in methods using was defined by the particular tasks and goals. Results of the research showned into a wide set of the ways of financial enterprise safety as a component of economic security of the state. There is an evaluation of enterprise financial safety on the basis of calculations of integral indicator, including combined indices of profitability (unprofitability, pay ability or the lack of that, business activity (fading, financial

  14. Vol. 33 - Compact State-Space Models for Complex Superconducting Radio-Frequency Structures Based on Model Order Reduction and Concatenation Methods

    CERN Document Server

    Flisgen, Thomas

    2015-01-01

    The modeling of large chains of superconducting cavities with couplers is a challeng- ing task in computational electrical engineering. The direct numerical treatment of these structures can easily lead to problems with more than ten million degrees of freedom. Problems of this complexity are typically solved with the help of parallel programs running on supercomputing infrastructures. However, these infrastructures are expensive to purchase, to operate, and to maintain. The aim of this thesis is to introduce and to validate an approach which allows for modeling large structures on a standard workstation. The novel technique is called State-Space Concatena- tions and is based on the decomposition of the complete structure into individual segments. The radio-frequency properties of the generated segments are described by a set of state-space equations which either emerge from analytical considera- tions or from numerical discretization schemes. The model order of these equations is reduced...

  15. Photo-Induced Spin-State Conversion in Solvated Transition Metal Complexes Probed via Time-Resolved Soft X-ray Spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Huse, Nils; Kim, Tae Kyu; Jamula, Lindsey; McCusker, James K.; de Groot, Frank M. F.; Schoenlein, Robert W.

    2010-04-30

    Solution-phase photoinduced low-spin to high-spin conversion in the FeII polypyridyl complex [Fe(tren(py)3)]2+ (where tren(py)3 is tris(2-pyridylmethyliminoethyl)amine) has been studied via picosecond soft X-ray spectroscopy. Following 1A1 --> 1MLCT (metal-to-ligand charge transfer) excitation at 560 nm, changes in the iron L2- and L3-edges were observed concomitant with formation of the transient high-spin 5T2 state. Charge-transfer multiplet calculations coupled with data acquired on low-spin and high-spin model complexes revealed a reduction in ligand field splitting of 1 eV in the high-spin state relative to the singlet ground state. A significant reduction in orbital overlap between the central Fe-3d and the ligand N-2p orbitals was directly observed, consistent with the expected ca. 0.2 Angstrom increase in Fe-N bond length upon formation of the high-spin state. The overall occupancy of the Fe-3d orbitals remains constant upon spin crossover, suggesting that the reduction in sigma-donation is compensated by significant attenuation of pi-back-bonding in the metal-ligand interactions. These results demonstrate the feasibility and unique potential of time-resolved soft X-ray absorption spectroscopy to study ultrafast reactions in the liquid phase by directly probing the valence orbitals of first-row metals as well as lighter elements during the course of photochemical transformations.

  16. Complex network inference from P300 signals: Decoding brain state under visual stimulus for able-bodied and disabled subjects

    Science.gov (United States)

    Gao, Zhong-Ke; Cai, Qing; Dong, Na; Zhang, Shan-Shan; Bo, Yun; Zhang, Jie

    2016-10-01

    Distinguishing brain cognitive behavior underlying disabled and able-bodied subjects constitutes a challenging problem of significant importance. Complex network has established itself as a powerful tool for exploring functional brain networks, which sheds light on the inner workings of the human brain. Most existing works in constructing brain network focus on phase-synchronization measures between regional neural activities. In contrast, we propose a novel approach for inferring functional networks from P300 event-related potentials by integrating time and frequency domain information extracted from each channel signal, which we show to be efficient in subsequent pattern recognition. In particular, we construct brain network by regarding each channel signal as a node and determining the edges in terms of correlation of the extracted feature vectors. A six-choice P300 paradigm with six different images is used in testing our new approach, involving one able-bodied subject and three disabled subjects suffering from multiple sclerosis, cerebral palsy, traumatic brain and spinal-cord injury, respectively. We then exploit global efficiency, local efficiency and small-world indices from the derived brain networks to assess the network topological structure associated with different target images. The findings suggest that our method allows identifying brain cognitive behaviors related to visual stimulus between able-bodied and disabled subjects.

  17. Do All X-ray Structures of Protein-Ligand Complexes Represent Functional States? EPOR, a Case Study.

    Science.gov (United States)

    Corbett, Michael S P; Mark, Alan E; Poger, David

    2017-02-28

    Based on differences between the x-ray crystal structures of ligand-bound and unbound forms, the activation of the erythropoietin receptor (EPOR) was initially proposed to involve a cross-action scissorlike motion. However, the validity of the motions involved in the scissorlike model has been recently challenged. Here, atomistic molecular dynamics simulations are used to examine the structure of the extracellular domain of the EPOR dimer in the presence and absence of erythropoietin and a series of agonistic or antagonistic mimetic peptides free in solution. The simulations suggest that in the absence of crystal packing effects, the EPOR chains in the different dimers adopt very similar conformations with no clear distinction between the agonist and antagonist-bound complexes. This questions whether the available x-ray crystal structures of EPOR truly represent active or inactive conformations. The study demonstrates the difficulty in using such structures to infer a mechanism of action, especially in the case of membrane receptors where just part of the structure has been considered in addition to potential confounding effects that arise from the comparison of structures in a crystal as opposed to a membrane environment. The work highlights the danger of assigning functional significance to small differences between structures of proteins bound to different ligands in a crystal environment without consideration of the effects of the crystal lattice and thermal motion. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  18. Density of vibrational States of the light-harvesting complex II of green plants studied by inelastic neutron scattering

    CERN Document Server

    Pieper, J K; Renger, G; Lechner, R E

    2004-01-01

    Results of inelastic neutron scattering (INS) experiments are reported for the solubilized trimeric light-harvesting complex of photosystem II (LHC II) in the temperature range from 5 to 100 K. Two incident neutron wavelengths of 2.0 ( similar to 20 meV) and 5.1 A ( similar to 3.2 meV) corresponding to elastic energy resolutions of DeltaE = 0.920 meV and DeltaE = 0.093 meV, respectively, are employed to study INS spectra of LHC II for both neutron energy loss and gain. Solubilized LHC II and D//2O-containing buffer solution are investigated separately in order to properly subtract the contribution of the solvent. The inelastic part of the scattering function S(Q, omega) derived for the LHC II protein resembles the well-known "Boson-peak" and is characterized by a maximum at about 2.5 meV and a strongly asymmetric line shape with a slight tailing toward higher energy transfers. Analysis of the momentum transfer dependence of S(Q, omega) reveals that both the elastic and inelastic contributions to S(Q, omega) e...

  19. Intermolecular potential and rovibrational states of the H{sub 2}O-D{sub 2} complex

    Energy Technology Data Exchange (ETDEWEB)

    Avoird, Ad van der, E-mail: A.vanderAvoird@theochem.ru.nl [Theoretical Chemistry, Institute for Molecules and Materials, Radboud University Nijmegen, Heyendaalseweg 135, 6525 AJ Nijmegen (Netherlands); Scribano, Yohann [Laboratoire Interdisciplinaire Carnot de Bourgogne-UMR 5209, CNRS-Universite de Bourgogne, 9 Av. Alain Savary, B.P. 47870, F-21078 Dijon Cedex (France); Faure, Alexandre [UJF-Grenoble 1/CNRS, Institut de Planetologie et d' Astrophysique de Grenoble (IPAG) UMR 5274, Grenoble F-38041 (France); Weida, Miles J. [Daylight Solutions, 15378 Avenue of Science, San Diego, CA 92128 (United States); Fair, Joanna R. [Department of Radiology, MSC10 5530, 1 University of New Mexico, Albuquerque, NM 87131-0001 (United States); Nesbitt, David J. [JILA, University of Colorado and National Institute of Standards and Technology, and Department of Chemistry and Biochemistry, University of Colorado, Boulder, CO 80309-0440 (United States)

    2012-05-03

    Graphical abstract: H{sub 2}O-D{sub 2} potential surface and pH{sub 2}O-oD{sub 2} ground state wave function, for planar geometries. Highlights: Black-Right-Pointing-Pointer The interaction between H{sub 2}O and H{sub 2} is of great astrophysical interest. Black-Right-Pointing-Pointer The rovibrational states of H{sub 2}O-D{sub 2} were computed on an ab initio potential surface. Black-Right-Pointing-Pointer Results are compared with the rovibrational states of H{sub 2}O-H{sub 2} computed recently. Black-Right-Pointing-Pointer We measured the high-resolution infrared spectrum of H{sub 2}O-D{sub 2} in the H{sub 2}O bend region. Black-Right-Pointing-Pointer Comparison with the calculations provides information on H{sub 2}O-H{sub 2} potential surface. - Abstract: A five-dimensional intermolecular potential for H{sub 2}O-D{sub 2} was obtained from the full nine-dimensional ab initio potential surface of Valiron et al. [P. Valiron, M. Wernli, A. Faure, L. Wiesenfeld, C. Rist, S. Kedzuch, J. Noga, J. Chem. Phys. 129 (2008) 134306] by averaging over the ground state vibrational wave functions of H{sub 2}O and D{sub 2}. On this five-dimensional potential with a well depth D{sub e} of 232.12 cm{sup -1} we calculated the bound rovibrational levels of H{sub 2}O-D{sub 2} for total angular momentum J = 0-3. The method used to compute the rovibrational levels is similar to a scattering approach-it involves a basis of coupled free rotor wave functions for the hindered internal rotations and the overall rotation of the dimer-while it uses a discrete variable representation of the intermolecular distance coordinate R. The basis was adapted to the permutation symmetry associated with the para/ortho (p/o) nature of both H{sub 2}O and D{sub 2}, as well as to inversion symmetry. As expected, the H{sub 2}O-D{sub 2} dimer is more strongly bound than its H{sub 2}O-H{sub 2} isotopologue [cf. A. van der Avoird, D.J. Nesbitt, J. Chem. Phys. 134 (2011) 044314], with dissociation energies D

  20. Preparation of the polyelectrolyte complex hydrogel of biopolymers via a semi-dissolution acidification sol-gel transition method and its application in solid-state supercapacitors

    Science.gov (United States)

    Zhao, Jian; Chen, Yu; Yao, Ying; Tong, Zong-Rui; Li, Pu-Wang; Yang, Zi-Ming; Jin, Shao-Hua

    2018-02-01

    Hydrogels have drawn many attentions as the solid-state electrolytes in flexible solid-state supercapacitors (SCs) recently. Among them, the polyelectrolyte complex hydrogel (PECH) electrolytes of natural polymers are more competitive because of their environmentally friendly property and low cost. However, while mixing two biopolymer solutions with opposite charges, the strong electrostatic interactions between the cationic and anionic biopolymers may result in precipitates instead of hydrogels. Here we report a novel method, semi-dissolution acidification sol-gel transition (SD-A-SGT), for the preparation of the PECH of chitosan (CTS) and sodium alginate (SA), with the controllable sol-gel transition and uniform composition and successfully apply it as the hydrogel electrolyte of solid-state supercapacitors (SCs). The CTS-SA PECH exhibits an extremely high ionic conductivity of 0.051 S·cm-1 and reasonable mechanical properties with a tensile strength of 0.29 MPa and elongation at break of 109.5%. The solid-state SC fabricated with the CTS-SA PECH and conventional polyaniline (PANI) nanowire electrodes provided a high specific capacitance of 234.6 F·g-1 at 5 mV·s-1 and exhibited excellent cycling stability with 95.3% capacitance retention after 1000 cycles. Our work may pave a novel avenue to the preparation of biodegradable PECHs of full natural polymers, and promote the development of environmentally friendly electronic devices.

  1. Trapping Dynamics in Photosystem I-Light Harvesting Complex I of Higher Plants Is Governed by the Competition Between Excited State Diffusion from Low Energy States and Photochemical Charge Separation.

    Science.gov (United States)

    Molotokaite, Egle; Remelli, William; Casazza, Anna Paola; Zucchelli, Giuseppe; Polli, Dario; Cerullo, Giulio; Santabarbara, Stefano

    2017-10-26

    The dynamics of excited state equilibration and primary photochemical trapping have been investigated in the photosystem I-light harvesting complex I isolated from spinach, by the complementary time-resolved fluorescence and transient absorption approaches. The combined analysis of the experimental data indicates that the excited state decay is described by lifetimes in the ranges of 12-16 ps, 32-36 ps, and 64-77 ps, for both detection methods, whereas faster components, having lifetimes of 550-780 fs and 4.2-5.2 ps, are resolved only by transient absorption. A unified model capable of describing both the fluorescence and the absorption dynamics has been developed. From this model it appears that the majority of excited state equilibration between the bulk of the antenna pigments and the reaction center occurs in less than 2 ps, that the primary charge separated state is populated in ∼4 ps, and that the charge stabilization by electron transfer is completed in ∼70 ps. Energy equilibration dynamics associated with the long wavelength absorbing/emitting forms harbored by the PSI external antenna are also characterized by a time mean lifetime of ∼75 ps, thus overlapping with radical pair charge stabilization reactions. Even in the presence of a kinetic bottleneck for energy equilibration, the excited state dynamics are shown to be principally trap-limited. However, direct excitation of the low energy chlorophyll forms is predicted to lengthen significantly (∼2-folds) the average trapping time.

  2. Balanço de energia em um solo cultivado com feijão caupi no brejo paraibano Energy balance in a soil cultivated with cowpeas in a mountaineous area in Paraiba, Brazil

    Directory of Open Access Journals (Sweden)

    José R. de S. Lima

    2005-12-01

    Full Text Available Os componentes do balanço de energia num solo cultivado com feijão caupi nas condições do Brejo Paraibano, foram determinados numa área de 4 ha do Centro de Ciências Agrárias, da UFPB, localizada no município de Areia, PB (6o 58' S, 35o 41' W e 620 m. Para tal, instalou-se uma torre no centro da área, contendo um pluviógrafo, um piranômetro, um saldo radiômetro e sensores para medida da temperatura e da umidade relativa do ar, em dois níveis acima do dossel da cultura; além disso, dois locais no solo foram instrumentados, cada um com duas sondas térmicas instaladas horizontalmente, nas profundidades de z1 = 2,0 cm e z2 = 8,0 cm, além de uma placa destinada à medida do fluxo de calor no solo, a 5,0 cm. Essas medidas foram armazenadas a cada 30 min, num sistema de aquisição de dados. Verificou-se que o valor médio do saldo de radiação (Rn foi de 78%, sendo a Rn utilizada, em média, como 71% no fluxo de calor latente (LE, 19% como fluxo de calor sensível (H e 10% como fluxo de calor no solo (G. A fração do saldo de radiação utilizada como fluxo de calor latente aumentou com a evolução da cobertura do solo pela cultura, enquanto a fração utilizada como fluxo de calor sensível e de calor no solo, diminuiu.The energy balance components in a cowpea crop growing in the mountain region of Paraiba, Brazil ("Brejo Paraibano" was determined in a 4 ha area in the Centro de Ciências Agrárias, UFPB, in the municipality of Areia, PB (6o 58' S, 35o 41' W e 620 m. Measurements of rainfall, net and global radiation were made. Sensors at two levels above the canopy were also mounted, allowing the measurements of air temperature and relative humidity. Below the soil surface, two different sites were provided with two thermal probes, horizontally installed at depths of 2.0 and 8.0 cm, besides a heat flux plate 5.0 cm deep for soil heat flux measurements. All data were stored in a datalogger each 30 min. The average value of the net

  3. Simplifying the complex 1H NMR spectra of fluorine-substituted benzamides by spin system filtering and spin-state selection: multiple-quantum-single-quantum correlation.

    Science.gov (United States)

    Baishya, Bikash; Reddy, G N Manjunatha; Prabhu, Uday Ramesh; Row, T N Guru; Suryaprakash, N

    2008-10-23

    The proton NMR spectra of fluorine-substituted benzamides are very complex (Figure 1) due to severe overlap of (1)H resonances from the two aromatic rings, in addition to several short and long-range scalar couplings experienced by each proton. With no detectable scalar couplings between the inter-ring spins, the (1)H NMR spectra can be construed as an overlap of spectra from two independent phenyl rings. In the present study we demonstrate that it is possible to separate the individual spectrum for each aromatic ring by spin system filtering employing the multiple-quantum-single-quantum correlation methodology. Furthermore, the two spin states of fluorine are utilized to simplify the spectrum corresponding to each phenyl ring by the spin-state selection. The demonstrated technique reduces spectral complexity by a factor of 4, in addition to permitting the determination of long-range couplings of less than 0.2 Hz and the relative signs of heteronuclear couplings. The technique also aids the judicious choice of the spin-selective double-quantum-single-quantum J-resolved experiment to determine the long-range homonuclear couplings of smaller magnitudes.

  4. Novel mutations in the CDKL5 gene in complex genotypes associated with West syndrome with variable phenotype: First description of somatic mosaic state.

    Science.gov (United States)

    Jdila, Marwa Ben; Issa, Abir Ben; Khabou, Boudour; Rhouma, Bochra Ben; Kamoun, Fatma; Ammar-Keskes, Leila; Triki, Chahnez; Fakhfakh, Faiza

    2017-10-01

    West syndrome is a rare epileptic encephalopathy of early infancy, characterized by epileptic spasms, hypsarrhythmia, and psychomotor retardation beginning in the first year of life. The present study reports the clinical, molecular and bioinformatic investigation in the three studied West patients. The results revealed a complex genotype with more than one mutation in each patient including the known mutations c.1910C>G (P2, P3); c.2372A>C in P3 and c.2395C>G in P1 and novel variants including c.616G>A, shared by the three patients P1, P2 and P3; c.1403G>C shared by P2 and P3 and c.2288A>G in patient P1. All the mutations were at somatic mosaic state and were de novo in the patients except ones (c.2372A>C). To our knowledge; the somatic mosaic state is described for the first time in patients with West syndrome. Five identified mutations were located in the C-terminal domain of the protein, while the novel mutation (c.616G>A) was in the catalytic domain. Bioinformatic tools predicted that this latter is the most pathogenic substitution affecting 3D protein structure and the secondary mRNA structure. Complex genotype composed of different combinations of mutations in each patient seems to be related to the phenotype variability. Copyright © 2017. Published by Elsevier B.V.

  5. Design of DC-60 cyclotron with the fair ion energy variation for the Inter-disciplinary laboratory complex by L.N. Gumilev Eurasian State University

    International Nuclear Information System (INIS)

    Gukal, B.N.; Itkis, M.G.; Dmitriev, S.N.; Gul'bekyan, G.G.; Franko, J.; Kadyrzhanov, K.K.; Arzumanov, A.A.; Borisenko, A.N.; Lysukhin, S.N.

    2003-01-01

    The DC-60 heavy ions cyclotron pre-design project is implemented. The cyclotron is the key facility of the Inter-disciplinary laboratory complex by L.N. Gumilev Eurasian State University. In comparison with previous project in a new one the possibility for fair variation of the ions energies on 30 % at the expense of magnetic field level change is planed. The magnet structure of the cyclotron allowing to vary the magnet field from 1.25 to 1.65 T with use the low-power magnet coils system is found. The accelerator provides the opportunity for the ions acceleration from Li to Xe with energies from 0.4 to 1.6 MeV/nucleon. The exterior ion source of the ECR type will be planing to use on the cyclotrons and axial beam injection system development will be created. The extending voltage on the ion source is 10-25 kV. For experiments conducting on the cyclotron complex is expecting to create on channel for low energy beams - 10-25 kV per charge (ECR source beams) and three withdrawn channels for accelerated ion beams, one of those will be packaged with necessary equipment for the nuclear filters manufacture. The cyclotron complex will be used for both the fulfillment of a wide range of scientific and applied problems and a students training

  6. Analysis of Eye-Tracking Data with Regards to the Complexity of Flight Deck Information Automation and Management - Inattentional Blindness, System State Awareness, and EFB Usage

    Science.gov (United States)

    Dill, Evan T.; Young, Steven D.

    2015-01-01

    In the constant drive to further the safety and efficiency of air travel, the complexity of avionics-related systems, and the procedures for interacting with these systems, appear to be on an ever-increasing trend. While this growing complexity often yields productive results with respect to system capabilities and flight efficiency, it can place a larger burden on pilots to manage increasing amounts of information and to understand intricate system designs. Evidence supporting this observation is becoming widespread, yet has been largely anecdotal or the result of subjective analysis. One way to gain more insight into this issue is through experimentation using more objective measures or indicators. This study utilizes and analyzes eye-tracking data obtained during a high-fidelity flight simulation study wherein many of the complexities of current flight decks, as well as those planned for the next generation air transportation system (NextGen), were emulated. The following paper presents the findings of this study with a focus on electronic flight bag (EFB) usage, system state awareness (SSA) and events involving suspected inattentional blindness (IB).

  7. The Structure of the Complex between Yeast Frataxin and Ferrochelatase: CHARACTERIZATION AND PRE-STEADY STATE REACTION OF FERROUS IRON DELIVERY AND HEME SYNTHESIS.

    Science.gov (United States)

    Söderberg, Christopher; Gillam, Mallory E; Ahlgren, Eva-Christina; Hunter, Gregory A; Gakh, Oleksandr; Isaya, Grazia; Ferreira, Gloria C; Al-Karadaghi, Salam

    2016-05-27

    Frataxin is a mitochondrial iron-binding protein involved in iron storage, detoxification, and delivery for iron sulfur-cluster assembly and heme biosynthesis. The ability of frataxin from different organisms to populate multiple oligomeric states in the presence of metal ions, e.g. Fe(2+) and Co(2+), led to the suggestion that different oligomers contribute to the functions of frataxin. Here we report on the complex between yeast frataxin and ferrochelatase, the terminal enzyme of heme biosynthesis. Protein-protein docking and cross-linking in combination with mass spectroscopic analysis and single-particle reconstruction from negatively stained electron microscopic images were used to verify the Yfh1-ferrochelatase interactions. The model of the complex indicates that at the 2:1 Fe(2+)-to-protein ratio, when Yfh1 populates a trimeric state, there are two interaction interfaces between frataxin and the ferrochelatase dimer. Each interaction site involves one ferrochelatase monomer and one frataxin trimer, with conserved polar and charged amino acids of the two proteins positioned at hydrogen-bonding distances from each other. One of the subunits of the Yfh1 trimer interacts extensively with one subunit of the ferrochelatase dimer, contributing to the stability of the complex, whereas another trimer subunit is positioned for Fe(2+) delivery. Single-turnover stopped-flow kinetics experiments demonstrate that increased rates of heme production result from monomers, dimers, and trimers, indicating that these forms are most efficient in delivering Fe(2+) to ferrochelatase and sustaining porphyrin metalation. Furthermore, they support the proposal that frataxin-mediated delivery of this potentially toxic substrate overcomes formation of reactive oxygen species. © 2016 by The American Society for Biochemistry and Molecular Biology, Inc.

  8. Voxel Scale Complex Networks of Functional Connectivity in the Rat Brain: Neurochemical State Dependence of Global and Local Topological Properties

    Directory of Open Access Journals (Sweden)

    Adam J. Schwarz

    2012-01-01

    Full Text Available Network analysis of functional imaging data reveals emergent features of the brain as a function of its topological properties. However, the brain is not a homogeneous network, and the dependence of functional connectivity parameters on neuroanatomical substrate and parcellation scale is a key issue. Moreover, the extent to which these topological properties depend on underlying neurochemical changes remains unclear. In the present study, we investigated both global statistical properties and the local, voxel-scale distribution of connectivity parameters of the rat brain. Different neurotransmitter systems were stimulated by pharmacological challenge (d-amphetamine, fluoxetine, and nicotine to discriminate between stimulus-specific functional connectivity and more general features of the rat brain architecture. Although global connectivity parameters were similar, mapping of local connectivity parameters at high spatial resolution revealed strong neuroanatomical dependence of functional connectivity in the rat brain, with clear differentiation between the neocortex and older brain regions. Localized foci of high functional connectivity independent of drug challenge were found in the sensorimotor cortices, consistent with the high neuronal connectivity in these regions. Conversely, the topological properties and node roles in subcortical regions varied with neurochemical state and were dependent on the specific dynamics of the different functional processes elicited.

  9. Atom states and interatomic interactions in complex perovskite-like oxides. 4. Spin state of nickel(2) atoms in LaCa0.5Sr0.5NixAl1-xO4 solid solutions

    International Nuclear Information System (INIS)

    Chezhina, N.V.; Kuznetsova, I.V.

    1995-01-01

    Solid solutions of LaCa 0.5 Sr 0.5 Ni x Al 1-x O 4 (0≤x≤0.10) have been synthesized and their magnetic susceptibility in the temperature range of 77-400 K has been studied. The change in the basic state of nickel atoms in case of partial substitution of calcium for strontium atoms has been studied. The change in the basic state of nickel atoms in case of partial substitution of calcium for strontium atoms has been studied, as well as the way it affects exchange interaction in a complex oxide. It is shown that the substitution results in increase of the degree of paramagnetic atoms aggregation in solid solution. 9 refs., 2 figs., 1 tab

  10. Results of complex studies in radiation state of temporary areas for radioactive waste localization in the Chernobyl estrangement zone.; Rezul`taty kompleksnykh issledovanij radiatsionnogo sostoyaniya punktov vremennoj lokalizatsii radioaktivnykh otkhodov v Zone otchuzhdeniya ChAEhS.

    Energy Technology Data Exchange (ETDEWEB)

    Ledenev, A I; Ovcharov, P A; Mishunina, I B; Antropov, V M [Naukovo-Tekhnyichnij Tsentr z dezaktivatsyiyi ta kompleksnogo povodzhennya z radyioaktivnimi vyidkhodami, Zhovtyi Vodi (Ukraine)

    1994-12-31

    Describing complex studies in radiation state of temporary areas for radioactive waste localization in the nearest Chernobyl NPP zone, the paper provides results of these studies as well as results of inspection of radioactive waste hidden in 1990 - 1994.

  11. Large-Scale Quantum Many-Body Perturbation on Spin and Charge Separation in the Excited States of the Synthesized Donor-Acceptor Hybrid PBI-Macrocycle Complex.

    Science.gov (United States)

    Ziaei, Vafa; Bredow, Thomas

    2017-03-17

    The reliable calculation of the excited states of charge-transfer (CT) compounds poses a major challenge to the ab initio community because the frequently employed method, time-dependent density functional theory (TD-DFT), massively relies on the underlying density functional, resulting in heavily Hartree-Fock (HF) exchange-dependent excited-state energies. By applying the highly sophisticated many-body perturbation approach, we address the encountered unreliabilities and inconsistencies of not optimally tuned (standard) TD-DFT regarding photo-excited CT phenomena, and present results concerning accurate vertical transition energies and the correct energetic ordering of the CT and the first visible singlet state of a recently synthesized thermodynamically stable large hybrid perylene bisimide-macrocycle complex. This is a large-scale application of the quantum many-body perturbation approach to a chemically relevant CT system, demonstrating the system-size independence of the quality of the many-body-based excitation energies. Furthermore, an optimal tuning of the ωB97X hybrid functional can well reproduce the many-body results, making TD-DFT a suitable choice but at the expense of introducing a range-separation parameter, which needs to be optimally tuned. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  12. Ecological parameters of the (S)-9-methylgermacrene-B population of the Lutzomyia longipalpis complex in a visceral leishmaniasis area in São Paulo state, Brazil.

    Science.gov (United States)

    Galvis-Ovallos, Fredy; Casanova, Claudio; Sevá, Anaiá da Paixão; Galati, Eunice Aparecida Bianchi

    2017-05-30

    Visceral leishmaniasis (VL) is an important public health challenge in Brazil because of the high number of human and canine cases reported annually. Leishmania infantum is the etiological agent of VL and Lutzomyia longipalpis is its main vector. However, evidence suggests that this taxon constitutes a species complex. In Sao Paulo state, there are two populations of Lu. longipalpis, each secreting distinct pheromones, (S)-9-methylgermacrene-B and Cembrene 1; both have been associated with different patterns of VL transmission. The aim of the present study was to investigate the temporal distribution and natural infection of the (S)-9-methylgermacrene-B population of the Lu. longipalpis complex in a highly VL endemic area of Sao Paulo state to obtain information that may contribute to the surveillance of this zoonosis and to the planning of preventive and control measures. The study was carried out in Panorama municipality, Sao Paulo State. Captures were made during 24 months in seven domiciles. The relation between sand fly abundance and climatic variables, temperature and humidity, was analyzed and natural infection by Leishmania spp. in sand fly females was investigated by nested PCR. A total of 4120 sand flies, with predominance of Lu. longipalpis (97.2%) were captured. The highest averages of sand flies/night/trap occurred in the rainy season (November-March) and a positive, significant correlation between sand fly abundance and the temperature and humidity 20 days before the capture days was found. Leishmania infantum DNA was detected in three out of 250 pools of females analyzed, giving an estimated minimum infection rate of 1.2%. The identification of the climatic association between the high abundance of the vector in this highly endemic VL focus constitutes a fundamental point for evaluating future vector and dog control measures and this information increases the data of VL foci in Sao Paulo state that could contribute to the public health authorities

  13. 1.45 A resolution crystal structure of recombinant PNP in complex with a pM multisubstrate analogue inhibitor bearing one feature of the postulated transition state

    International Nuclear Information System (INIS)

    Chojnowski, Grzegorz; Breer, Katarzyna; Narczyk, Marta; Wielgus-Kutrowska, Beata; Czapinska, Honorata; Hashimoto, Mariko; Hikishima, Sadao; Yokomatsu, Tsutomu; Bochtler, Matthias; Girstun, Agnieszka; Staron, Krzysztof; Bzowska, Agnieszka

    2010-01-01

    Low molecular mass purine nucleoside phosphorylases (PNPs, E.C. 2.4.2.1) are homotrimeric enzymes that are tightly inhibited by immucillins. Due to the positive charge on the ribose like part (iminoribitol moiety) and protonation of the N7 atom of the purine ring, immucillins are believed to act as transition state analogues. Over a wide range of concentrations, immucillins bind with strong negative cooperativity to PNPs, so that only every third binding site of the enzyme is occupied (third-of-the-sites binding). 9-(5',5'-difluoro-5'-phosphonopentyl)-9-deazaguanine (DFPP-DG) shares with immucillins the protonation of the N7, but not the positive charge on the ribose like part of the molecule. We have previously shown that DFPP-DG interacts with PNPs with subnanomolar inhibition constant. Here, we report additional biochemical experiments to demonstrate that the inhibitor can be bound with the same K d (∼190 pM) to all three substrate binding sites of the trimeric PNP, and a crystal structure of PNP in complex with DFPP-DG at 1.45 A resolution, the highest resolution published for PNPs so far. The crystals contain the full PNP homotrimer in the asymmetric unit. DFPP-DG molecules are bound in superimposable manner and with full occupancies to all three PNP subunits. Thus the postulated third-of-the-sites binding of immucillins should be rather attribute to the second feature of the transition state, ribooxocarbenium ion character of the ligand or to the coexistence of both features characteristic for the transition state. The DFPP-DG/PNP complex structure confirms the earlier observations, that the loop from Pro57 to Gly66 covering the phosphate-binding site cannot be stabilized by phosphonate analogues. The loop from Glu250 to Gln266 covering the base-binding site is organized by the interactions of Asn243 with the Hoogsteen edge of the purine base of analogues bearing one feature of the postulated transition state (protonated N7 position).

  14. Pulse radiolytic study of the oxidation reaction of uric acid in presence of bovine serum albumin: evidence of possible complex formation in the transient state

    International Nuclear Information System (INIS)

    Adhikari, S.; Gopinathan, C.

    1996-01-01

    The pulse radiolytic and spectrophotometric study of uric acid in presence of bovine serum albumin (BSA) has been carried out. In the spectrophotometric study there is no evidence for ground state interaction between BSA and uric acid. The reaction of CCl 3 OO . radical with uric acid produces a transient having absorption maximum at 330 nm and that with BSA produces transient having absorption maximum at 410 nm. In a composition of equal concentration of uric acid and BSA the CCl 3 OO . radical produces a transient absorption spectrum which shows two peaks at 330 nm and 350 nm and a shoulder at 410 nm. The peak at 350 nm is ascribed due to weak complex formation between BSA and uric acid radicals. The rate constant of CCl 3 OO . radical with uric acid increases with the increase in BSA concentration which is explained as protection of BSA by uric acid from radical attack. (author). 4 refs., 2 figs., 1 tab

  15. The high-K calc-alkalic Serra da Lagoinha batholith, States of Ceara and Paraiba (Northeastern region, Brazil): coexistence and mixing of dioritic and quartz monzonitic to granitic magmas

    International Nuclear Information System (INIS)

    Mariano, Gorki; Sobreira, Mauricio de Nassau de Mattos

    1999-01-01

    The Serra da Lagoinha batholith (SLB) has an outcrop area of 200 km 2 is located in the Borborema Province, northeastern Brazil, and intrudes schists and phylites at the border of the Cachoeirinha-Salgueiro fold belt. Its southern border is defined by a major curved NE-SW sinistral transcurrent shear zone (Boqueirao dos Cochos) connecting the E-W dextral shear zones of Patos to the north and Pernambuco to the south. The SLB has three lithologic domains: the felsic porphyritic domain composed of K-feldspar megacrystic monzonitic, quartz monzonitic, quartz monzodioritic, granitic to granodioritic rocks; the k-dioritic domain composed of biotite (quartz) dioritic to tonalitic rocks and the hybrid domain composed of monzonitic and biotite (quartz) dioritic rocks. Field evidences show that these lithologic domains were produced by the coexistence and mixing of K-diorites with potassic monzonitic to granodioritic magmas. The mafic rocks are enriched in Nb, ba, and Zr and LREE in relation to the felsic porphyritic rocks. The REE patterns for mafic and felsic rocks are similar and enriched in the LREE in relation to the HREE, with (La/Yb) N varying from 22.43 to 36.10 for the felsic and from 27.21 to 58.87 for the mafic rocks. Al Τ in amphibole geobarometer (Hollister 1987) shows that amphibole crystallization in the SLB occurred at approximately 4.5 kbar. Geothermometry based on the coexistence of amphibole and plagioclase, (Blundy and Holland 1990) gives a temperature of 742 deg C. Whole rock Oxygen isotope data showed average values for mafic of δ 18 O = + 7.9 permil SMOW and for the felsic rocks of δ 18 O + 9.1 permil SMOW , suggesting either isotopic equilibrium of coexistent magmas of distinct sources or crystal fractionation process controlling the evolution from mafic to felsic rocks. Quartz corrected values for the felsic porphyritic rocks averaged δ 18 O = + 9.2 permil, suggesting that the whole rock data represent magmatic values. Sm-Nd systematics show T(DM) of 1.78 and 1.70 Ga and ε Nd (600) of 11.5 and - 10.2 for two felsic porphyritic samples and T (DM) of 1.78 Ga and ε Nd (600) of - 11.15 for a K-diorite. This data may reflect a mixed source rocks formed essentially by Transamazonia (ca 2.0 ga) with reduced participation of Caririris Velhos (ca 1.0 Ga) lithospheric mantle. Major, trace and REE associated with the field evidence support the coexistence and local mixing of K-dioritic with Quartz monzonitic to granitic magmas of distinct sources as the major petrogenetic process for the SLB. (author)

  16. Structures of dihydrofolate reductase-thymidylate synthase of Trypanosoma cruzi in the folate-free state and in complex with two antifolate drugs, trimetrexate and methotrexate

    Energy Technology Data Exchange (ETDEWEB)

    Senkovich, Olga; Schormann, Norbert; Chattopadhyay, Debasish; (UAB)

    2010-11-22

    The flagellate protozoan parasite Trypanosoma cruzi is the pathogenic agent of Chagas disease (also called American trypanosomiasis), which causes approximately 50 000 deaths annually. The disease is endemic in South and Central America. The parasite is usually transmitted by a blood-feeding insect vector, but can also be transmitted via blood transfusion. In the chronic form, Chagas disease causes severe damage to the heart and other organs. There is no satisfactory treatment for chronic Chagas disease and no vaccine is available. There is an urgent need for the development of chemotherapeutic agents for the treatment of T. cruzi infection and therefore for the identification of potential drug targets. The dihydrofolate reductase activity of T. cruzi, which is expressed as part of a bifunctional enzyme, dihydrofolate reductase-thymidylate synthase (DHFR-TS), is a potential target for drug development. In order to gain a detailed understanding of the structure-function relationship of T. cruzi DHFR, the three-dimensional structure of this protein in complex with various ligands is being studied. Here, the crystal structures of T. cruzi DHFR-TS with three different compositions of the DHFR domain are reported: the folate-free state, the complex with the lipophilic antifolate trimetrexate (TMQ) and the complex with the classical antifolate methotrexate (MTX). These structures reveal that the enzyme is a homodimer with substantial interactions between the two TS domains of neighboring subunits. In contrast to the enzymes from Cryptosporidium hominis and Plasmodium falciparum, the DHFR and TS active sites of T. cruzi lie on the same side of the monomer. As in other parasitic DHFR-TS proteins, the N-terminal extension of the T. cruzi enzyme is involved in extensive interactions between the two domains. The DHFR active site of the T. cruzi enzyme shows subtle differences compared with its human counterpart. These differences may be exploited for the development of

  17. Design of DC-60 specialized accelerator for the Inter-disciplinary Laboratory Complex by the L.N. Gumilev Eurasian State University

    International Nuclear Information System (INIS)

    Gikal, B.N.; Itkis, M.G.; Dmitriev, S.N.; Gul'bekyan, G.G.; Franko, J.; ); Kadyrzhanov, K.K.; Arzumanov, A.A.; Borisenko, A.N.; Lysukhin, S.N.

    2001-01-01

    Design of the Inter-disciplinary Laboratory Complex by the L.N. Eurasian State University allows development and implementation of specialized heavy ion accelerator. According requirements of research programme the most optimal accelerator is compact cyclotron with fixed magnetic field and varying frequency of high-frequency system in dependence on mass rate to accelerated ions charge. The accelerator has two accelerating modes - on 4 and 6 harmonics, that allow to accelerate ions from C to Xe with energies from 0.4 to 1.6 MeV/nucleon. The beam take out is occurring by electrostatic deflector. The beam will be transporting to physical unit for research conducting. The cyclotron is equipped with ECR source and axial beam injection system.The extending voltage on the ion source is 10-25 k W. On the injection line it is planning to create the channel - after analyzing magnet -for using of satellite beams, that allow to conduct experiments on a low energy ions beams. In all accelerating modes the ions energy does not exceeds the Coulomb barrier and so the unit is radiation safe. The cyclotron complex could be used for fulfilment of a wide circle of research and applied tasks, as well as for students and postgraduates training

  18. Effects of clofibric acid on the activity and activity state of the hepatic branched-chain 2-oxo acid dehydrogenase complex.

    Science.gov (United States)

    Zhao, Y; Jaskiewicz, J; Harris, R A

    1992-01-01

    Feeding clofibric acid to rats caused little or no change in total activity of the liver branched-chain 2-oxo acid dehydrogenase complex (BCODC). No change in mass of liver BCODC was detected by immunoblot analysis in response to dietary clofibric acid. No changes in abundance of mRNAs for the BCODC E1 alpha, E1 beta and E2 subunits were detected by Northern-blot analysis. Likewise, dietary clofibric acid had no effect on the activity state of liver BCODC (percentage of enzyme in the dephosphorylated, active, form) of rats fed on a chow diet. However, dietary clofibric acid greatly increased the activity state of liver BCODC of rats fed on a diet deficient in protein. No stable change in liver BCODC kinase activity was found in response to clofibric acid in either chow-fed or low-protein-fed rats. Clofibric acid had a biphasic effect on flux through BCODC in hepatocytes prepared from low-protein-fed rats. Stimulation of BCODC flux at low concentrations was due to clofibric acid inhibition of BCODC kinase, which in turn allowed activation of BCODC by BCODC phosphatase. Inhibition of BCODC flux at high concentrations was due to direct inhibition of BCODC by clofibric acid. The results suggest that the effects of clofibric acid in vivo on branched-chain amino acid metabolism can be explained by the inhibitory effects of this drug on BCODC kinase. Images Fig. 2. Fig. 3. PMID:1637295

  19. Dynamic Simulation of the 2011 M9.0 Tohoku Earthquake with Geometric Complexity on a Rate- and State-dependent Subduction Plane

    Science.gov (United States)

    Luo, B.; Duan, B.

    2015-12-01

    The Mw 9.0 Tohoku megathrust earthquake on 11 March 2011 is a great surprise to the scientific community due to its unexpected occurrence on the subduction zone of Japan Trench where earthquakes of magnitude ~7 to 8 are expected based on historical records. Slip distribution and kinematic slip history inverted from seismic data, GPS and tsunami recordings reveal two major aspects of this big event: a strong asperity near the hypocenter and large slip near the trench. To investigate physical conditions of these two aspects, we perform dynamic rupture simulations on a shallow-dipping rate- and state-dependent subduction plane with topographic relief. Although existence of a subducted seamount just up-dip of the hypocenter is still an open question, high Vp anomalies [Zhao et al., 2011] and low Vp/Vs anomalies [Yamamoto et al., 2014] there strongly suggest some kind of topographic relief exists there. We explicitly incorporate a subducted seamount on the subduction surface into our models. Our preliminary results show that the subducted seamount play a significant role in dynamic rupture propagation due to the alteration of the stress state around it. We find that a subducted seamount can act as a strong barrier to many earthquakes, but its ultimate failure after some earthquake cycles results in giant earthquakes. Its failure gives rise to large stress drop, resulting in a strong asperity in slip distribution as revealed in kinematic inversions. Our preliminary results also suggest that the rate- and state- friction law plays an important role in rupture propagation of geometrically complex faults. Although rate-strengthening behavior near the trench impedes rupture propagation, an energetic rupture can break such a barrier and manage to reach the trench, resulting in significant uplift at seafloor and hence devastating tsunami to human society.

  20. Attestation in self-propagating combustion approach of spinel AFe_2O_4 (A = Co, Mg and Mn) complexes bearing mixed oxidation states: Magnetostructural properties

    International Nuclear Information System (INIS)

    Bennet, J.; Tholkappiyan, R.; Vishista, K.; Jaya, N. Victor; Hamed, Fathalla

    2016-01-01

    Highlights: • Spinel type ferrite compounds AFe_2O_4 (A = Co, Mg and Mn) have been successfully prepared by self-propagating combustion method using glycine as fuel. • To investigate and confirms the presence of phases in the synthesized ferrite nanoparticles by XRD and FTIR analysis. • The formation of mixed oxidation state of cobalt (Co"2"+ and Co"3"+), iron (Fe"2"+ and Fe"3"+) and manganese (Mn"2"+ and Mn"3"+) ions were studied and confirmed from XPS analysis. • The magnetic properties of the synthesized ferrites were studied by VSM measurement. - Abstract: Spinel type nano-sized ferrite compounds AFe_2O_4 (A = Co, Mg and Mn) have been successfully prepared by self-propagating combustion method using glycine as fuel at 400 °C under air atmosphere for 4 h. The crystal structure, chemical composition, morphology and magnetic properties of the synthesized samples were characterized by X−ray diffraction, Fourier transform infrared spectroscopy, X−ray photoelectron spectroscopy, Energy dispersive X−ray, Scanning and Transmission electron microscopy and vibrating sample magnetometer. The chemical reaction and role of fuel on the nanoparticles formation were discussed. The XRD pattern of the synthesized samples shows the formation of pure phase with average crystallite size of 97, 57 and 98 nm from Scherrer formula and 86, 54 and 87 nm from Williamson and Hall (W–H) formula respectively. FTIR absorption spectra revealed that the presence of strong absorption peaks near 400–600 cm"−"1 corresponds to tetrahedral and octahedral complex of spinel ferrites. The relative concentrations of electronic states of elements such as cobalt (Co"2"+ and Co"3"+), iron (Fe"2"+ and Fe"3"+) and manganese (Mn"2"+ and Mn"3"+) oxidation states were studied from XPS and it is found that 55% of Fe ions are in Fe"2"+ state and the remaining is in Fe"3"+ state and thus the cationic distribution of Fe ions occurred in both tetrahedral and octahedral sites. SEM analysis

  1. Provenance of granites used to build the Santa Maria de Valdeiglesias Monastery, Pelayos de la Presa (Madrid, Spain), and conservation state of the monumental complex

    Science.gov (United States)

    Fort, R.; Alvarez de Buergo, M.; Vazquez-Calvo, C.; Perez-Monserrat, E. M.; Varas-Muriel, M. J.; Lopez-Arce, P.

    2012-04-01

    The construction of the Cistercian Monastery began at 1180, in an initial Late Romanesque style in which the Church was erected; later on, in 1258, the church underwent a severe fire, only the apse stood standing. The church was reconstructed at the end of the 13th century in Mudejar style. Gothic style was used later on, in the 16th century, for the reconstruction of the funerary chapel, and Renaissance style for the Plateresque door in between the church and the sacristy. At the end of the 16th century, the main door to access the church was built in Baroque style. In 1836, the Ecclesiastical Confiscations resulted on transfer the Monastery into particular owners. This fact favoured its abandon and ruin state until 1979, when architect Mariano Garcia Benito purchased the property and started the conservation and consolidation of the complex, beginning with the Bell Tower. Natural stone materials used in the Monastery are igneous (granite) and metamorphic rocks (gneiss and schist), and artificial stone materials are bricks and mortars, both joint and rendering ones. Granite is the most abundant material used in the complex, with a structural/reinforcing role in elements such as lintels, jambs, buttresses, or bottom areas of the walls with greater sizes and better dimensioned. Some pillars are granite built, from the large ashlars of the sacristy, to the rubble-work of the Mozarab chapel. Two types of monzogranite can be differentiated in relation to distinct constructive stages: the coarse texture monzogranite is used in the first building stages, while the fine texture monzogranite was employed mainly from 17th century on. Petrophysical characteristics of these granites are different but show a good quality to be used in construction. Nevertheless, the abandon and partial ruin of the complex, the devastating fire events (the second one in 1743) leaded to the decay acceleration of the monumental complex, being nowadays the church in ruin, with no roofs and walls

  2. Avaliação dos níveis de chumbo e cádmio em leite em decorrência de contaminação ambiental na região do Vale do Paraíba, Sudeste do Brasil Evaluation of lead and cadmium levels in milk due to environmental contamination in the Paraiba Valley region of Southeastern Brazil

    Directory of Open Access Journals (Sweden)

    Isaura A. Okada

    1997-04-01

    Full Text Available INTRODUÇÃO: Localizada em Caçapava, SP, Brasil, indústria produtora de lingotes de chumbo provocou contaminação ambiental na região do Vale do Paraíba, com chumbo e cádmio. Com o objetivo de avaliar o grau de contaminação do leite produzido na região, devido à possível ingestão, pelo gado, de gramíneas e águas contaminadas, foram determinados os teores de chumbo e cádmio no leite. MATERIAL E MÉTODO: Foram analisadas 218 amostras de leite in natura e pasteurizado. O cádmio e o chumbo foram determinados por espectrofotometria de absorção atômica com chama. RESULTADOS E CONCLUSÕES: Das amostras analisadas, 43 apresentaram teores de chumbo acima do limite máximo estabelecido pela legislação brasileira que é 0,05 mg/kg. O valor da mediana encontrada para o chumbo foi 0,04 mg/L. Os níveis de cádmio em todas as amostras foram menores que o limite de quantificação do método que é 0,02 mg/L. Apesar da contaminação ambiental, os níveis encontrados para o cádmio no leite estão abaixo do limite estabelecido pela legislação brasileira que é 1,0 mg/kg.INTRODUCTION: A factory producing lead ingots, located in Caçapava, caused lead and cadmium contamination of the environment, in the Paraiba Valley region of Southeastern, Brazil, through the discharge of industrial waste and the recycling of batteries. The factory, set in a rural, dairy cattle breeding area, worried sanitary authorities who envisaged the possibility of these metals' having entered the food chain. For the purpose of assessing the levels of contamination of the milk produced in the region, due to the cattle's possible consumption of contaminated grass and water, the amounts of cadmium and lead present in the milk were verified. MATERIAL AND METHOD: Major producers, covering an area of up to 20 km from the contaminated source, authorized collection of 218 samples of both pasteurized and non-pasteurized milk, which were analysed. Lead and cadmium levels

  3. Managing Complexity

    Energy Technology Data Exchange (ETDEWEB)

    Chassin, David P.; Posse, Christian; Malard, Joel M.

    2004-08-01

    Physical analogs have shown considerable promise for understanding the behavior of complex adaptive systems, including macroeconomics, biological systems, social networks, and electric power markets. Many of today’s most challenging technical and policy questions can be reduced to a distributed economic control problem. Indeed, economically-based control of large-scale systems is founded on the conjecture that the price-based regulation (e.g., auctions, markets) results in an optimal allocation of resources and emergent optimal system control. This paper explores the state of the art in the use physical analogs for understanding the behavior of some econophysical systems and to deriving stable and robust control strategies for them. In particular we review and discussion applications of some analytic methods based on the thermodynamic metaphor according to which the interplay between system entropy and conservation laws gives rise to intuitive and governing global properties of complex systems that cannot be otherwise understood.

  4. A Series of Supramolecular Complexes for Solar Energy Conversion via Water Reduction to Produce Hydrogen: An Excited State Kinetic Analysis of Ru(II,Rh(III,Ru(II Photoinitiated Electron Collectors

    Directory of Open Access Journals (Sweden)

    Shamindri M. Arachchige

    2011-12-01

    Full Text Available Mixed-metal supramolecular complexes have been designed that photochemically absorb solar light, undergo photoinitiated electron collection and reduce water to produce hydrogen fuel using low energy visible light. This manuscript describes these systems with an analysis of the photophysics of a series of six supramolecular complexes, [{(TL2Ru(dpp}2RhX2](PF65 with TL = bpy, phen or Ph2phen with X = Cl or Br. The process of light conversion to a fuel requires a system to perform a number of complicated steps including the absorption of light, the generation of charge separation on a molecular level, the reduction by one and then two electrons and the interaction with the water substrate to produce hydrogen. The manuscript explores the rate of intramolecular electron transfer, rate of quenching of the supramolecules by the DMA electron donor, rate of reduction of the complex by DMA from the 3MLCT excited state, as well as overall rate of reduction of the complex via visible light excitation. Probing a series of complexes in detail exploring the variation of rates of important reactions as a function of sub-unit modification provides insight into the role of each process in the overall efficiency of water reduction to produce hydrogen. The kinetic analysis shows that the complexes display different rates of excited state reactions that vary with TL and halide. The role of the MLCT excited state is elucidated by this kinetic study which shows that the 3MLCT state and not the 3MMCT is likely that key contributor to the photoreduction of these complexes. The kinetic analysis of the excited state dynamics and reactions of the complexes are important as this class of supramolecules behaves as photoinitiated electron collectors and photocatalysts for the reduction of water to hydrogen.

  5. Unravelling the spin-state of solvated [Fe(bpp)2]2+ spin-crossover complexes: structure-function relationship.

    Science.gov (United States)

    Giménez-López, Maria Del Carmen; Clemente-León, Miguel; Giménez-Saiz, Carlos

    2018-05-23

    This paper reports firstly the syntheses, crystal structures, and thermal and magnetic properties of spin crossover salts of formulae [Fe(bpp)2]3[Cr(CN)6]2·13H2O (1) and [Fe(bpp)2][N(CN)2]2·H2O (2) (bpp = 2,6-bis(pyrazol-3-yl)pyridine) exhibiting hydrogen-bonded networks of low-spin [Fe(bpp)2]2+ complexes and [Cr(CN)6]3- or [N(CN)2]- anions, with solvent molecules located in the voids. Desolvation of 1 is accompanied by a complete low-spin (LS) to a high-spin (HS) transformation that becomes reversible after rehydration by exposing the sample to the humidity of air. The influence of the lattice water on the magnetic properties of spin-crossover [Fe(bpp)2]X2 complex salts has been documented. In most cases, it stabilises the LS state over the HS one. In other cases, it is rather the contrary. The second part of this paper is devoted to unravelling the reasons why the lattice solvent stabilises one form over the other through magneto-structural correlations of [Fe(bpp)2]2+ salts bearing anions with different charge/size ratios (Xn-). The [Fe(bpp)2]2+ stacking explaining these two different behaviours is correlated here with the composition of the second coordination sphere of the Fe centers and the ability of these anions to form hydrogen bonds and/or π-π stacking interactions between them or the bpp ligand.

  6. Accountable or not accountable: A profile comparison of alleged offenders referred to the Free State Psychiatric Complex Forensic Observation Ward in Bloemfontein from 2009 to 2012

    Directory of Open Access Journals (Sweden)

    Edwin D. du Plessis

    2017-05-01

    Full Text Available Background: The crime rate in South Africa is extraordinarily high. The problem of crime is further complicated when a person, who suffers from a mental illness, becomes involved in a crime. Furthermore, the forensic evaluation of a person suspected of having a mental illness involved in alleged criminal behaviour can be challenging. However, a dearth of information exists in South African literature regarding the link between crime and mental illness. Aim: To determine the percentage of alleged offenders, referred to the Free State Psychiatric Complex (FSPC for observation, found accountable and not accountable, and to compare the biographical, diagnosis and offence profiles of these two groups. The analysis of differences can contribute to a better understanding of the complex process of forensic assessments. Setting: Forensic Observation Ward, FSPC, Bloemfontein. Methods: In this comparative, retrospective study, all 505 trial-awaiting alleged offenders (observati referred from 2009 to 2012 for a 30-day observation period, according to Sections 77 and/or 78 of the Criminal Procedures Act, were included. Results were summarised as frequencies and percentages, and means or percentiles. Significant differences between the groups were determined by sample t-tests or chi-squared tests. Results: Observati found not accountable were in the majority (64.5%. Significant differences were found regarding marital and employment status, substance abuse, type of offence and diagnoses between the two groups. Almost all of the observati found to be not accountable were diagnosed with mental illness at the time of the assessment, whereas most observati found to be accountable for their actions at the time of the alleged offence were not found to be mentally ill. Observati found not accountable were significantly more likely to be diagnosed with schizophrenia, intellectual disability and substance-induced psychotic disorder, and committed mostly assault

  7. New methods on simulation of complex technical systems and their application supervising the nuclear power station of the federal state Baden-Wurttemberg

    International Nuclear Information System (INIS)

    Kopetzky, R.

    2000-06-01

    This work studies and evaluates the service-based approach with regard to its usability for modelling of complex software systems such as simulation systems. The leading thought of the service-based approach is the break-up of the complexity of heterogeneous information systems using decentralised, autonomous services, which built on ontologies as common shared vocabulary and which are coordinated by the strategy service. The approach should enable the restructuring of existing, already validated systems to enhanced systems with new capabilities. For this purpose solutions from different disciplines are investigated concerning their usability and are merged to a universal approach. As guide for the implementation of service-based systems six guidelines are formulated. According to these guidelines, architectures have to be open for enhancements, they have to support heterogeneous platforms and programming languages and finally they have to grant interoperability and should be scalable. They should consist of autonomous subsystems and should be simple in their usage and upgrading. To test the concepts in practice, te Logical Client Architecture (LCA) was developed. Basic components of the architecture were designed and implemented. With the new concepts a service to simulate airborne transport of nuclear emissions was developed and integrated into the telemetric supervising system for nuclear power stations of the Federal State of Baden-Wuerttemberg. By this the practical usage of the service-based approach in a complex information system was demonstrated. By comparing the LCA and its practical usage with the guidelines for service-based systems it is shown, that all main concepts were realised (at least as prototype). The positive experiences from this project leads to the result, that the service-based approach meets the expectations. The additional expenses for explicit description of the information in the knowledge base are compensated by the better support

  8. Comparative analysis of three-dimensional structures of homodimers of uridine phosphorylase from Salmonella typhimurium in the unligated state and in a complex with potassium ion

    International Nuclear Information System (INIS)

    Lashkov, A. A.; Zhukhlistova, N. E.; Gabdulkhakov, A. G.; Mikhailov, A. M.

    2009-01-01

    The spatial organization of the homodimer of unligated uridine phosphorylase from Salmonella typhimurium (St UPh) was determined with high accuracy. The structure was refined at 1.80 A resolution to R work = 16.1% and R free = 20.0%. The rms deviations for the bond lengths, bond angles, and chiral angles are 0.006 A, 1.042 o , and 0.071 o , respectively. The coordinate error estimated by the Luzzati plot is 0.166 A. The coordinate error based on the maximum likelihood is 0.199 A. A comparative analysis of the spatial organization of the homodimer in two independently refined structures and the structure of the homodimer St UPh in the complex with a K + ion was performed. The substrate-binding sites in the homodimers StUPhs in the unligated state were found to act asynchronously. In the presence of a potassium ion, the three-dimensional structures of the subunits in the homodimer are virtually identical, which is apparently of importance for the synchronous action of both substrate-binding sites. The atomic coordinates of the refined structure of the homodimer and structure factors have been deposited in the Protein Data Bank (PDB ID code 3DPS).

  9. The industrial applicability of purified cellulase complex indigenously produced by Trichoderma viride through solid-state bio-processing of agro-industrial and municipal paper wastes

    Directory of Open Access Journals (Sweden)

    Muhammad Irshad

    2013-02-01

    Full Text Available An indigenous strain of Trichoderma viride produced high titers of cellulase complex in solid-state bio-processing of agro-industrial orange peel waste, which was used as the growth-supporting substrate. When the conditions of the SSF medium containing 15 g orange peel (50% w/w moisture inoculated with 5 mL of inoculum were optimal, the maximum productions of endoglucanase (655 ± 5.5 U/mL, exoglucanase (412 ± 4.3 U/mL, and β-glucosidase (515 ± 3.7 U/mL were recorded after 4 days of incubation at pH 5 and 35 °C. The enzyme with maximum activity (endoglucanase was purified by ammonium sulfate fractionation and Sephadex G-100 column gel filtration chromatographic technique. Endoglucanase was 5.5-fold purified with specific activity of 498 U/mg in comparison to the crude enzyme. The enzyme was shown to have a molecular weight of 58 kDa by sodium dodecyl sulphate poly-acrylamide gel electrophoresis (SDS-PAGE. The shelf life profile revealed that the enzyme could be stored at room temperature (30 °C for up to 45 days without losing much of its activity.

  10. Landscape-Scale Disturbance: Insights into the Complexity of Catchment Hydrology in the Mountaintop Removal Mining Region of the Eastern United States

    Directory of Open Access Journals (Sweden)

    Andrew J. Miller

    2016-07-01

    Full Text Available Few land disturbances impact watersheds at the scale and extent of mountaintop removal mining (MTM. This practice removes forests, soils and bedrock to gain access to underground coal that results in likely permanent and wholesale changes that impact catchment hydrology, geochemistry and ecosystem health. MTM is the dominant driver of land cover changes in the central Appalachian Mountains region of the United States, converting forests to mine lands and burying headwater streams. Despite its dominance on the landscape, determining the hydrological impacts of MTM is complicated by underground coal mines that significantly alter groundwater hydrology. To provide insight into how coal mining impacts headwater catchments, we compared the hydrologic responses of an MTM and forested catchment using event rainfall-runoff analysis, modeling and isotopic approaches. Despite similar rainfall characteristics, hydrology in the two catchments differed in significant ways, but both catchments demonstrated threshold-mediated hydrologic behavior that was attributed to transient storage and the release of runoff from underground mines. Results suggest that underground mines are important controls for runoff generation in both obviously disturbed and seemingly undisturbed catchments and interact in uncertain ways with disturbance from MTM. This paper summarizes our results and demonstrates the complexity of catchment hydrology in the MTM region.

  11. Comparative analysis of three-dimensional structures of homodimers of uridine phosphorylase from Salmonella typhimurium in the unligated state and in a complex with potassium ion

    Energy Technology Data Exchange (ETDEWEB)

    Lashkov, A. A.; Zhukhlistova, N. E.; Gabdulkhakov, A. G.; Mikhailov, A. M., E-mail: amm@ns.crys.ras.ru [Russian Academy of Sciences, Shubnikov Institute of Crystallography (Russian Federation)

    2009-03-15

    The spatial organization of the homodimer of unligated uridine phosphorylase from Salmonella typhimurium (St UPh) was determined with high accuracy. The structure was refined at 1.80 A resolution to R{sub work} = 16.1% and R{sub free} = 20.0%. The rms deviations for the bond lengths, bond angles, and chiral angles are 0.006 A, 1.042{sup o}, and 0.071{sup o}, respectively. The coordinate error estimated by the Luzzati plot is 0.166 A. The coordinate error based on the maximum likelihood is 0.199 A. A comparative analysis of the spatial organization of the homodimer in two independently refined structures and the structure of the homodimer St UPh in the complex with a K{sup +} ion was performed. The substrate-binding sites in the homodimers StUPhs in the unligated state were found to act asynchronously. In the presence of a potassium ion, the three-dimensional structures of the subunits in the homodimer are virtually identical, which is apparently of importance for the synchronous action of both substrate-binding sites. The atomic coordinates of the refined structure of the homodimer and structure factors have been deposited in the Protein Data Bank (PDB ID code 3DPS).

  12. Synthesis, chemistry and catalytic activity of complexes of lanthanide and actinide metals in unusual oxidation states and coordination environments. Progress report, February 1, 1978--January 31, 1979

    International Nuclear Information System (INIS)

    Evans, W.J.

    1978-11-01

    Previous syntheses of Ln(olefin) complexes and their catalytic effect on the hydrogenation of the olefin are discussed. The tert-butyl complexes of Sn, Er, and Yb were synthesized and their decomposition studied

  13. Complex and symplectic geometry

    CERN Document Server

    Medori, Costantino; Tomassini, Adriano

    2017-01-01

    This book arises from the INdAM Meeting "Complex and Symplectic Geometry", which was held in Cortona in June 2016. Several leading specialists, including young researchers, in the field of complex and symplectic geometry, present the state of the art of their research on topics such as the cohomology of complex manifolds; analytic techniques in Kähler and non-Kähler geometry; almost-complex and symplectic structures; special structures on complex manifolds; and deformations of complex objects. The work is intended for researchers in these areas.

  14. Transition Complexity of Incomplete DFAs

    Directory of Open Access Journals (Sweden)

    Yuan Gao

    2010-08-01

    Full Text Available In this paper, we consider the transition complexity of regular languages based on the incomplete deterministic finite automata. A number of results on Boolean operations have been obtained. It is shown that the transition complexity results for union and complementation are very different from the state complexity results for the same operations. However, for intersection, the transition complexity result is similar to that of state complexity.

  15. Recording the transition from flare-up to steady-state arc magmatism at the Purico-Chascon volcanic complex, northern Chile

    Science.gov (United States)

    Burns, Dale H.; de Silva, Shanaka L.; Tepley, Frank; Schmitt, Axel K.; Loewen, Matthew W.

    2015-07-01

    The long-term evolution of continental magmatic arcs is episodic, where a few transient events of high magmatic flux or flare-ups punctuate the low-flux magmatism or "steady state" that makes up most of the arc history. How this duality manifests in terms of differences in crustal architecture, magma dynamics and chemistry, and the time scale over which transitions occur is poorly known. Herein we use multiscale geochemical and isotopic characteristics coupled with geothermobarometry at the Purico-Chascon Volcanic Complex (PCVC) in the Central Andes to identify a transition from flare-up to steady state arc magmatism over ∼800 kyr during which significant changes in upper crustal magmatic dynamics are recorded. The PCVC is one of the youngest volcanic centers related to a 10-1 Ma ignimbrite flare-up in the Altiplano-Puna Volcanic Complex of the Central Andes. Activity at the PCVC initiated 0.98 ± 0.03 Ma with the eruption of a large 80-100 km3 crystal-rich dacite ignimbrite. High, restricted 87Sr/86Sr isotope ratios between 0.7085 and 0.7090 in the bulk rock and plagioclase crystals from the Purico ignimbrite, combined with mineral chemistry and phase relationships indicate the dacite magma accumulated and evolved at relatively low temperatures around 800-850 °C in the upper crust at 4-8 km depth. Minor andesite pumice erupted late in the ignimbrite sequence records a second higher temperature (965 °C), higher pressure environment (17-20 km), but with similar restricted radiogenic bulk rock 87Sr/86Sr = 0.7089-0.7091 to the dacites. The compositional and isotopic characteristics of the Purico ignimbrite implicate an extensive zone of upper crustal mixing, assimilation, storage and homogenization (MASH) between ∼30 and 4 km beneath the PCVC ∼1 Ma. The final eruptions at the PCVC engine". High magmatic fluxes during the flare-up would lead to elevated geothermal gradients and efficient crustal processing leading to a dominantly "crustal" magmatism feeding the

  16. Profile of stress factors associated with mental disorders in children and adolescents referred for evaluation and treatment to the Free State Psychiatric Complex, 2007

    Directory of Open Access Journals (Sweden)

    H Heckler

    2012-05-01

    Full Text Available Introduction. South African children and adolescents face serious challenges. Over the past decades children have been exposed to rapid and stressful changes in their environment, including increased crime and violence. Aim of study. The aim of the study was to determine the profile of stress factors leading to mental disorders in children and adolescents referred to the Child and Adolescent Unit at the Free State Psychiatric Complex, Bloemfontein, from January 2006 to December 2007. Methods. A total of 669 children (0 - 12 years and adolescents (13 - 18 years referred to the unit for evaluation and treatment were included in the study. Results. Thirty per cent were diagnosed with attention deficit and disruptive behaviour disorders, followed by major depressive disorders (22.7%, anxiety disorders (18.5%, conduct disorders (16.1%, mild mental retardation (15.7%, adjustment disorders (9.6%, elimination disorders (8.8%, developmental disorders (7.6% and bereavement (7.0%. Social stressors were identified in 64.1% of participants, and psychological stressors in 19%. Conclusions. Stress plays an important role in the lives of children and adolescents, which could lead to emotional problems if not well managed. The functioning of children and adolescents should be monitored continuously. Schools are in a favourable position to identify stressors affecting children and adolescents. Educators therefore need training and opportunities to consult on mental health matters. Furthermore, religious organisations should be enlisted to identify stressors manifesting as spiritual dysfunction. School health services can play a role in the recognition of biological stressors such as epilepsy, pregnancy, enuresis, illness, speech problems and sensory dysfunction.

  17. A solid-state sensor based on ruthenium (II) complex immobilized on polytyramine film for the simultaneous determination of dopamine, ascorbic acid and uric acid

    International Nuclear Information System (INIS)

    Khudaish, Emad A.; Al-Ajmi, Khawla Y.; Al-Harthi, Salim H.

    2014-01-01

    A solid-state sensor based on a polytyramine (Pty) film deposited on a glassy carbon electrode doped with a tris(2,2′-bipyridyl)Ru(II) complex (Ru/Pty/GCE) was constructed electrochemically. The surface morphology of the film modified electrode was characterized using electrochemical and surface scanning techniques. A redox property represented by a [Ru(bpy) 3 ] 3+/2+ couple immobilized at the Pty moiety was characterized using typical voltammetric techniques. A distinct Ru 3d peak obtained at 280.9 eV confirms doping of the Ru species onto the Pty moiety characterized by X-ray photoelectron (XPS). Atomic force microscopy (AFM) images demonstrate that incorporation of Ru decreases the surface roughness of the native Pty film modified electrode. The Ru/Pty/GCE exhibits efficient electrochemical sensing toward the oxidation of dopamine (DA), ascorbic acid (AA) and uric acid (UA) in their mixture. Three well-defined peaks were resolved with a large peak to peak separation and the detection limits of AA, DA and UA are brought down to 0.31, 0.08 and 0.58 μM, respectively. Interference studies and application for DA determination in real samples were conducted with satisfactory results. - Highlights: • XPS data confirm doping of ruthenium onto the polytyramine moiety. • The voltammetric signals of ascorbic acid, dopamine and uric acid are well defined. • The sensor is stable and offers a large adsorption facility for all species. • The sensor is highly sensitive to dopamine oxidation. • The sensor is applied to a real sample with a satisfactory recovery percentage

  18. Identifying diagnostically-relevant resting state brain functional connectivity in the ventral posterior complex via genetic data mining in autism spectrum disorder.

    Science.gov (United States)

    Baldwin, Philip R; Curtis, Kaylah N; Patriquin, Michelle A; Wolf, Varina; Viswanath, Humsini; Shaw, Chad; Sakai, Yasunari; Salas, Ramiro

    2016-05-01

    Exome sequencing and copy number variation analyses continue to provide novel insight to the biological bases of autism spectrum disorder (ASD). The growing speed at which massive genetic data are produced causes serious lags in analysis and interpretation of the data. Thus, there is a need to develop systematic genetic data mining processes that facilitate efficient analysis of large datasets. We report a new genetic data mining system, ProcessGeneLists and integrated a list of ASD-related genes with currently available resources in gene expression and functional connectivity of the human brain. Our data-mining program successfully identified three primary regions of interest (ROIs) in the mouse brain: inferior colliculus, ventral posterior complex of the thalamus (VPC), and parafascicular nucleus (PFn). To understand its pathogenic relevance in ASD, we examined the resting state functional connectivity (RSFC) of the homologous ROIs in human brain with other brain regions that were previously implicated in the neuro-psychiatric features of ASD. Among them, the RSFC of the VPC with the medial frontal gyrus (MFG) was significantly more anticorrelated, whereas the RSFC of the PN with the globus pallidus was significantly increased in children with ASD compared with healthy children. Moreover, greater values of RSFC between VPC and MFG were correlated with severity index and repetitive behaviors in children with ASD. No significant RSFC differences were detected in adults with ASD. Together, these data demonstrate the utility of our data-mining program through identifying the aberrant connectivity of thalamo-cortical circuits in children with ASD. Autism Res 2016, 9: 553-562. © 2015 International Society for Autism Research, Wiley Periodicals, Inc. © 2015 International Society for Autism Research, Wiley Periodicals, Inc.

  19. Proton transfer and hydrogen bonding in the organic solid state: a combined XRD/XPS/ssNMR study of 17 organic acid-base complexes.

    Science.gov (United States)

    Stevens, Joanna S; Byard, Stephen J; Seaton, Colin C; Sadiq, Ghazala; Davey, Roger J; Schroeder, Sven L M

    2014-01-21

    The properties of nitrogen centres acting either as hydrogen-bond or Brønsted acceptors in solid molecular acid-base complexes have been probed by N 1s X-ray photoelectron spectroscopy (XPS) as well as (15)N solid-state nuclear magnetic resonance (ssNMR) spectroscopy and are interpreted with reference to local crystallographic structure information provided by X-ray diffraction (XRD). We have previously shown that the strong chemical shift of the N 1s binding energy associated with the protonation of nitrogen centres unequivocally distinguishes protonated (salt) from hydrogen-bonded (co-crystal) nitrogen species. This result is further supported by significant ssNMR shifts to low frequency, which occur with proton transfer from the acid to the base component. Generally, only minor chemical shifts occur upon co-crystal formation, unless a strong hydrogen bond is formed. CASTEP density functional theory (DFT) calculations of (15)N ssNMR isotropic chemical shifts correlate well with the experimental data, confirming that computational predictions of H-bond strengths and associated ssNMR chemical shifts allow the identification of salt and co-crystal structures (NMR crystallography). The excellent agreement between the conclusions drawn by XPS and the combined CASTEP/ssNMR investigations opens up a reliable avenue for local structure characterization in molecular systems even in the absence of crystal structure information, for example for non-crystalline or amorphous matter. The range of 17 different systems investigated in this study demonstrates the generic nature of this approach, which will be applicable to many other molecular materials in organic, physical, and materials chemistry.

  20. A solid-state sensor based on ruthenium (II) complex immobilized on polytyramine film for the simultaneous determination of dopamine, ascorbic acid and uric acid

    Energy Technology Data Exchange (ETDEWEB)

    Khudaish, Emad A., E-mail: ejoudi@squ.edu.om [Sultan Qaboos University, College of Science, Chemistry Department, PO Box 36, PC 123 Muscat (Oman); Al-Ajmi, Khawla Y. [Sultan Qaboos University, College of Science, Chemistry Department, PO Box 36, PC 123 Muscat (Oman); Al-Harthi, Salim H. [Sultan Qaboos University, College of Science, Department of Physics, PO Box 36, PC 123 Muscat (Oman)

    2014-08-01

    A solid-state sensor based on a polytyramine (Pty) film deposited on a glassy carbon electrode doped with a tris(2,2′-bipyridyl)Ru(II) complex (Ru/Pty/GCE) was constructed electrochemically. The surface morphology of the film modified electrode was characterized using electrochemical and surface scanning techniques. A redox property represented by a [Ru(bpy){sub 3}]{sup 3+/2+} couple immobilized at the Pty moiety was characterized using typical voltammetric techniques. A distinct Ru 3d peak obtained at 280.9 eV confirms doping of the Ru species onto the Pty moiety characterized by X-ray photoelectron (XPS). Atomic force microscopy (AFM) images demonstrate that incorporation of Ru decreases the surface roughness of the native Pty film modified electrode. The Ru/Pty/GCE exhibits efficient electrochemical sensing toward the oxidation of dopamine (DA), ascorbic acid (AA) and uric acid (UA) in their mixture. Three well-defined peaks were resolved with a large peak to peak separation and the detection limits of AA, DA and UA are brought down to 0.31, 0.08 and 0.58 μM, respectively. Interference studies and application for DA determination in real samples were conducted with satisfactory results. - Highlights: • XPS data confirm doping of ruthenium onto the polytyramine moiety. • The voltammetric signals of ascorbic acid, dopamine and uric acid are well defined. • The sensor is stable and offers a large adsorption facility for all species. • The sensor is highly sensitive to dopamine oxidation. • The sensor is applied to a real sample with a satisfactory recovery percentage.

  1. Affinity improvement of a therapeutic antibody by structure-based computational design: generation of electrostatic interactions in the transition state stabilizes the antibody-antigen complex.

    Directory of Open Access Journals (Sweden)

    Masato Kiyoshi

    Full Text Available The optimization of antibodies is a desirable goal towards the development of better therapeutic strategies. The antibody 11K2 was previously developed as a therapeutic tool for inflammatory diseases, and displays very high affinity (4.6 pM for its antigen the chemokine MCP-1 (monocyte chemo-attractant protein-1. We have employed a virtual library of mutations of 11K2 to identify antibody variants of potentially higher affinity, and to establish benchmarks in the engineering of a mature therapeutic antibody. The most promising candidates identified in the virtual screening were examined by surface plasmon resonance to validate the computational predictions, and to characterize their binding affinity and key thermodynamic properties in detail. Only mutations in the light-chain of the antibody are effective at enhancing its affinity for the antigen in vitro, suggesting that the interaction surface of the heavy-chain (dominated by the hot-spot residue Phe101 is not amenable to optimization. The single-mutation with the highest affinity is L-N31R (4.6-fold higher affinity than wild-type antibody. Importantly, all the single-mutations showing increase affinity incorporate a charged residue (Arg, Asp, or Glu. The characterization of the relevant thermodynamic parameters clarifies the energetic mechanism. Essentially, the formation of new electrostatic interactions early in the binding reaction coordinate (transition state or earlier benefits the durability of the antibody-antigen complex. The combination of in silico calculations and thermodynamic analysis is an effective strategy to improve the affinity of a matured therapeutic antibody.

  2. Complex Correspondence Principle

    International Nuclear Information System (INIS)

    Bender, Carl M.; Meisinger, Peter N.; Hook, Daniel W.; Wang Qinghai

    2010-01-01

    Quantum mechanics and classical mechanics are distinctly different theories, but the correspondence principle states that quantum particles behave classically in the limit of high quantum number. In recent years much research has been done on extending both quantum and classical mechanics into the complex domain. These complex extensions continue to exhibit a correspondence, and this correspondence becomes more pronounced in the complex domain. The association between complex quantum mechanics and complex classical mechanics is subtle and demonstrating this relationship requires the use of asymptotics beyond all orders.

  3. Complexity explained

    CERN Document Server

    Erdi, Peter

    2008-01-01

    This book explains why complex systems research is important in understanding the structure, function and dynamics of complex natural and social phenomena. Readers will learn the basic concepts and methods of complex system research.

  4. Complex chemistry

    International Nuclear Information System (INIS)

    Kim, Bong Gon; Kim, Jae Sang; Kim, Jin Eun; Lee, Boo Yeon

    2006-06-01

    This book introduces complex chemistry with ten chapters, which include development of complex chemistry on history coordination theory and Warner's coordination theory and new development of complex chemistry, nomenclature on complex with conception and define, chemical formula on coordination compound, symbol of stereochemistry, stereo structure and isomerism, electron structure and bond theory on complex, structure of complex like NMR and XAFS, balance and reaction on solution, an organo-metallic chemistry, biology inorganic chemistry, material chemistry of complex, design of complex and calculation chemistry.

  5. Evaluating the Performance of DFT Functionals in Assessing the Interaction Energy and Ground-State Charge Transfer of Donor/Acceptor Complexes: Tetrathiafulvalene−Tetracyanoquinodimethane (TTF−TCNQ) as a Model Case

    KAUST Repository

    Sini, Gjergji; Sears, John S.; Brédas, Jean-Luc

    2011-01-01

    We have evaluated the performance of several density functional theory (DFT) functionals for the description of the ground-state electronic structure and charge transfer in donor/acceptor complexes. The tetrathiafulvalene- tetracyanoquinodimethane (TTF-TCNQ) complex has been considered as a model test case. Hybrid functionals have been chosen together with recently proposed long-range corrected functionals (ωB97X, ωB97X-D, LRC-ωPBEh, and LC-ωPBE) in order to assess the sensitivity of the results to the treatment and magnitude of exact exchange. The results show an approximately linear dependence of the ground-state charge transfer with the HOMO TTF-LUMOTCNQ energy gap, which in turn depends linearly on the percentage of exact exchange in the functional. The reliability of ground-state charge transfer values calculated in the framework of a monodeterminantal DFT approach was also examined. © 2011 American Chemical Society.

  6. Evaluating the Performance of DFT Functionals in Assessing the Interaction Energy and Ground-State Charge Transfer of Donor/Acceptor Complexes: Tetrathiafulvalene−Tetracyanoquinodimethane (TTF−TCNQ) as a Model Case

    KAUST Repository

    Sini, Gjergji

    2011-03-08

    We have evaluated the performance of several density functional theory (DFT) functionals for the description of the ground-state electronic structure and charge transfer in donor/acceptor complexes. The tetrathiafulvalene- tetracyanoquinodimethane (TTF-TCNQ) complex has been considered as a model test case. Hybrid functionals have been chosen together with recently proposed long-range corrected functionals (ωB97X, ωB97X-D, LRC-ωPBEh, and LC-ωPBE) in order to assess the sensitivity of the results to the treatment and magnitude of exact exchange. The results show an approximately linear dependence of the ground-state charge transfer with the HOMO TTF-LUMOTCNQ energy gap, which in turn depends linearly on the percentage of exact exchange in the functional. The reliability of ground-state charge transfer values calculated in the framework of a monodeterminantal DFT approach was also examined. © 2011 American Chemical Society.

  7. Reinvestigating 2,5-di(pyridin-2-yl)pyrazine ruthenium complexes : Selective deuteration and Raman spectroscopy as tools to probe ground and excited-state electronic structure in homo- and heterobimetallic complexes

    NARCIS (Netherlands)

    Schulz, M.; Hirschmann, J.; Draksharapu, A.; Singh Bindra, G.; Soman, S.; Paul, A.; Groarke, R.; T. Pryce, M.; Rau, S.; R. Browne, W.; Vos, J.

    2011-01-01

    The mono- (1) and dinuclear (2) ruthenium(II) bis(2,2'-bipyridine) complexes of 2,5-di(pyridin-2-yl)pyrazine (2,5-dpp), for which the UV/Vis absorption and emission as well as electrochemical properties have been described earlier, are reinvestigated here by resonance, surface enhanced and transient

  8. Probes of the metal-to-ligand charge-transfer excited states in ruthenium-Am(m)ine-bipyridine complexes: the effects of NH/ND and CH/CD isotopic substitution on the 77 K luminescence.

    Science.gov (United States)

    Chen, Yuan-Jang; Xie, Puhui; Endicott, John F; Odongo, Onduru S

    2006-06-29

    The effects of ligand perdeuteration on the metal-to-ligand charge-transfer (MLCT) excited-state emission properties at 77 K are described for several [Ru(L)(4)bpy](2+) complexes in which the emission process is nominally [uIII,bpy-] --> [RuII,bpy]. The perdeuteration of the 2,2'-bipyridine (bpy) ligand is found to increase the zero-point energy differences between the ground states and MLCT excited states by amounts that vary from 0 +/- 10 to 70 +/- 10 cm(-1) depending on the ligands L. This indicates that there are some vibrational modes with smaller force constants in the excited states than in the ground states for most of these complexes. These blue shifts increase approximately as the energy difference between the excited and ground states decreases, but they are otherwise not strongly correlated with the number of bipyridine ligands in the complex. Careful comparisons of the [Ru(L)(4)(d(8)-bpy)](2+) and [Ru(L)(4)(h(8)-bpy](2+) emission spectra are used to resolve the very weak vibronic contributions of the C-H stretching modes as the composite contributions of the corresponding vibrational reorganizational energies. The largest of these, 25 +/- 10 cm(-1), is found for the complexes with L = py or bpy/2 and smaller when L = NH(3). Perdeuteration of the am(m)ine ligands (NH(3), en, or [14]aneN(4)) has no significant effect on the zero-point energy difference, and the contributions of the NH stretching vibrational modes to the emission band shape are too weak to resolve. Ligand perdeuteration does increase the excited-state lifetimes by a factor that is roughly proportional to the excited-state-ground-state energy difference, even though the CH and NH vibrational reorganizational energies are too small for nuclear tunneling involving these modes to dominate the relaxation process. It is proposed that metal-ligand skeletal vibrational modes and configurational mixing between metal-centered, bpy-ligand-centered, and MLCT excited states are important in

  9. Investigation of the complexation and the migration of actinides and non-radioactive substances with humic acids under geogenic conditions. Complexation of humic acids with actinides in the oxidation state IV Th, U, Np

    International Nuclear Information System (INIS)

    Sachs, S.; Schmeide, K.; Brendler, V.; Krepelova, A.; Mibus, J.; Geipel, G.; Heise, K.H.; Bernhard, G.

    2004-03-01

    Objective of this project was the study of basic interaction and migration processes of actinides in the environment in presence of humic acids (HA). To obtain more basic knowledge on these interaction processes synthetic HA with specific functional properties as well as 14 C-labeled HA were synthesized and applied in comparison to the natural HA Aldrich. One focus of the work was on the synthesis of HA with distinct redox functionalities. The obtained synthetic products that are characterized by significantly higher Fe(III) redox capacities than Aldrich HA were applied to study the redox properties of HA and the redox stability of U(VI) humate complexes. It was confirmed that phenolic OH groups play an important role for the redox properties of HA. However, the results indicate that there are also other processes than the single oxidation of phenolic OH groups and/or other functional groups contributing to the redox behavior of HA. A first direct-spectroscopic proof for the reduction of U(VI) by synthetic HA with distinct redox functionality was obtained. The complexation behavior of synthetic and natural HA with actinides (Th, Np, Pu) was studied. Structural parameters of Pu(III), Th(IV), Np(IV) and Np(V) humates were determined by X-ray absorption spectroscopy (XAS). The results show that carboxylate groups dominate the interaction between HA and actinide ions. These are predominant monodentately bound. The influence of phenolic OH groups on the Np(V) complexation by HA was studied with modified HA (blocked phenolic OH groups). The blocking of phenolic OH groups induces a decrease of the number of maximal available complexing sites of HA, whereas complex stability constant and Np(V) near-neighbor surrounding are not affected. The effects of HA on the sorption and migration behavior of actinides was studied in batch and column experiments. Th(IV) sorption onto quartz and Np(V) sorption onto granite and its mineral constituents are affected by the pH value and the

  10. Investigation of the complexation and the migration of actinides and non-radioactive substances with humic acids under geogenic conditions. Complexation of humic acids with actinides in the ocidation state IV Th, U, Np

    Energy Technology Data Exchange (ETDEWEB)

    Sachs, S.; Schmeide, K.; Brendler, V.; Krepelova, A.; Mibus, J.; Geipel, G.; Heise, K.H.; Bernhard, G.

    2004-03-01

    Objective of this project was the study of basic interaction and migration processes of actinides in the environment in presence of humic acids (HA). To obtain more basic knowledge on these interaction processes synthetic HA with specific functional properties as well as {sup 14}C-labeled HA were synthesized and applied in comparison to the natural HA Aldrich. One focus of the work was on the synthesis of HA with distinct redox functionalities. The obtained synthetic products that are characterized by significantly higher Fe(III) redox capacities than Aldrich HA were applied to study the redox properties of HA and the redox stability of U(VI) humate complexes. It was confirmed that phenolic OH groups play an important role for the redox properties of HA. However, the results indicate that there are also other processes than the single oxidation of phenolic OH groups and/or other functional groups contributing to the redox behavior of HA. A first direct-spectroscopic proof for the reduction of U(VI) by synthetic HA with distinct redox functionality was obtained. The complexation behavior of synthetic and natural HA with actinides (Th, Np, Pu) was studied. Structural parameters of Pu(III), Th(IV), Np(IV) and Np(V) humates were determined by X-ray absorption spectroscopy (XAS). The results show that carboxylate groups dominate the interaction between HA and actinide ions. These are predominant monodentately bound. The influence of phenolic OH groups on the Np(V) complexation by HA was studied with modified HA (blocked phenolic OH groups). The blocking of phenolic OH groups induces a decrease of the number of maximal available complexing sites of HA, whereas complex stability constant and Np(V) near-neighbor surrounding are not affected. The effects of HA on the sorption and migration behavior of actinides was studied in batch and column experiments. Th(IV) sorption onto quartz and Np(V) sorption onto granite and its mineral constituents are affected by the pH value

  11. A profile of perceived stress factors among nursing staff working with intellectually disabled in-patients at the Free State Psychiatric Complex, South Africa

    Directory of Open Access Journals (Sweden)

    Maria Conradie

    2017-03-01

    Full Text Available Introduction: Nursing staff working with intellectually disabled in-patients experience unique stress factors that can influence their personal well-being and work performance. Objectives: To compile a profile of stress factors experienced by nursing staff working with intellectually disabled in-patients at the Free State Psychiatric Complex (FSPC. Methods: This descriptive study included 89 nursing staff members from this environment. A questionnaire was used to collect socio-demographic information and determine personal and occupational stressors. The data were summarised by frequencies and percentages (categorical variables and means or percentiles (numerical variables. Results: Most participants were aged between 46 and 55 (41.2%, female (93.2% and black (93.2%, and 76.7% had children or dependant minors. The main stressors among participants were pressure providing financially for their children and dependant minors (71.2%, caring for them (39.4% and fearing them moving away (25.8%. Occupational stressors included high workload (66.3%, lack of decision-making by superiors (58.1%, underpayment (53.5%, endangerment of physical health (52.3% and safety (50.0%, working hours (51.2%, pressure of expectations from superiors (48.8%, uncertainty of employment (48.8%, work responsibilities (47.7% and perceiving that skills and training were not appreciated. They experienced stress regarding health issues such as hyper- and hypotension (35.3%. Because of stress 34.5% of participants took leave, 34.5% developed depression and 14.3% had panic attacks. Conclusion: Most of the respondents experienced personal and occupational stress that influenced their health, which poses serious challenges for the management of the FSPC. Security should be upgraded, medical and psychological support for the staff and care facilities for their dependants should be provided, and financial problems experienced by these staff members should be addressed. The workload of

  12. A Heteroleptic Ferrous Complex with Mesoionic Bis(1,2,3-triazol-5-ylidene) Ligands: Taming the MLCT Excited State of Iron(II)

    DEFF Research Database (Denmark)

    Liu, Yizhu; Kjær, Kasper Skov; Fredin, Lisa A.

    2015-01-01

    based on sequentially furnishing the Fe-II center with the benchmark 2,2-bipyridine (bpy) ligand and the more strongly sigma-donating mesoionic ligand, 4,4-bis(1,2,3-triazol-5-ylidene) (btz). Complex1 was comprehensively characterized by electrochemistry, static and ultrafast spectroscopy, and quantum...... chemical calculations and compared to [Fe(bpy)(3)](PF6)(2) and (TBA)(2)[Fe(bpy)(CN)(4)]. Heteroleptic complex1 extends the absorption spectrum towards longer wavelengths compared to a previously synthesized homoleptic Fe-II NHC complex. The combination of the mesoionic nature of btz and the heteroleptic...

  13. Complexity in Picture Books

    Science.gov (United States)

    Sierschynski, Jarek; Louie, Belinda; Pughe, Bronwyn

    2015-01-01

    One of the key requirements of Common Core State Standards (CCSS) in English Language Arts is that students are able to read and access complex texts across all grade levels. The CCSS authors emphasize both the limitations and lack of accuracy in the current CCSS model of text complexity, calling for the development of new frameworks. In response…

  14. Method of complex scaling

    International Nuclear Information System (INIS)

    Braendas, E.

    1986-01-01

    The method of complex scaling is taken to include bound states, resonances, remaining scattering background and interference. Particular points of the general complex coordinate formulation are presented. It is shown that care must be exercised to avoid paradoxical situations resulting from inadequate definitions of operator domains. A new resonance localization theorem is presented

  15. Formation of a ground-state charge-transfer complex in Polyfluorene//[6,6]-Phenyl-C61 butyric acid methyl ester (PCBM) blend films and its role in the function of polymer/PCBM solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Benson-Smith, J.J.; Bradley, D.D.C.; Nelson, J. [Department of Physics, Imperial College London, London SW7 2BW (United Kingdom); Goris, L.; Vandewal, K.; Haenen, K.; Manca, J.V.; Vanderzande, D. [Institute for Materials Research, Limburgs Universitair Centrum, Wetenschapspark 1, 3590 Diepenbeek (Belgium)

    2007-02-12

    Evidence is presented for the formation of a weak ground-state charge-transfer complex in the blend films of poly[9,9-dioctylfluorene-co-N-(4-methoxyphenyl)diphenylamine] polymer (TFMO) and [6,6]-phenyl-C{sub 61} butyric acid methyl ester (PCBM), using photothermal deflection spectroscopy (PDS) and photoluminescence (PL) spectroscopy. Comparison of this polymer blend with other polyfluorene polymer/PCBM blends shows that the appearance of this ground-state charge-transfer complex is correlated to the ionization potential of the polymer, but not to the optical gap of the polymer or the surface morphology of the blend film. Moreover, the polymer/PCBM blend films in which this charge-transfer complex is observed also exhibit efficient photocurrent generation in photovoltaic devices, suggesting that the charge-transfer complex may be involved in charge separation. Possible mechanisms for this charge-transfer state formation are discussed as well as the significance of this finding to the understanding and optimization of polymer blend solar cells. (Abstract Copyright [2007], Wiley Periodicals, Inc.)

  16. Two-photon excited fluorescence from higher electronic states of chlorophylls in photosynthetic antenna complexes a new approach to detect strong excitonic chlorophyll a/b coupling

    CERN Document Server

    Leupold, D; Ehlert, J; Irrgang, K D; Renger, G; Lokstein, H

    2002-01-01

    Stepwise two-photon excitation of chlorophyll a and b in the higher plant main light-harvesting complex (LHC II) and the minor complex CP29 (as well as in organic solution) with 100-fs pulses in the Q/sub y/ region results in a weak blue fluorescence. The dependence of the spectral shape of the blue fluorescence on excitation wavelength offers a new approach to elucidate the long-standing problem of the origin of spectral "chlorophyll forms" in pigment-protein complexes, in particular the characterization of chlorophyll a/b-heterodimers. As a first result we present evidence for the existence of strong chlorophyll a/b-interactions (excitonically coupled transitions at 650 and 680 nm) in LHC II at ambient temperature. In comparison with LHC II, the experiments with CP29 provide further evidence that the lowest energy chlorophyll a transition (at ~680 nm) is not excitonically coupled to chlorophyll b. (22 refs).

  17. ISO 9000: The challenge of Camacari petrochemical complex, Bahia State - Northeast Brazil; ISO 9000: o desafio do polo petroquimico de Camacari, BA, Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Marcos Antonio Lima de; Carvalho Neto, Jose

    1993-12-31

    The petrochemical complex of Camacari, BA, Brazil, involves 40 companies, responsible for 55% of brazilian production. The companies were installed using the most modern techniques related to quality available at that time, strongly centered in quality control. The new industrial policy towards reducing import taxes and allowing the entrance of foreign products at competitive prices, besides the quality exigencies of international market, induced the companies to develop new techniques for quality management based in the ISO 9000 standards. The paper shows the stage of implementation of these standards in 30 companies, corresponding to 90% of global sales of all the complex. (author)

  18. ISO 9000: The challenge of Camacari petrochemical complex, Bahia State - Northeast Brazil; ISO 9000: o desafio do polo petroquimico de Camacari, BA, Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Oliveira, Marcos Antonio Lima de; Carvalho Neto, Jose

    1992-12-31

    The petrochemical complex of Camacari, BA, Brazil, involves 40 companies, responsible for 55% of brazilian production. The companies were installed using the most modern techniques related to quality available at that time, strongly centered in quality control. The new industrial policy towards reducing import taxes and allowing the entrance of foreign products at competitive prices, besides the quality exigencies of international market, induced the companies to develop new techniques for quality management based in the ISO 9000 standards. The paper shows the stage of implementation of these standards in 30 companies, corresponding to 90% of global sales of all the complex. (author)

  19. Photochemistry of xenon-halogen Van der Waals complexes (X2 = Cl2, Br2, I2): evidence for the intermediate states in the (Xe-X2)*→ XeX* + X reaction

    International Nuclear Information System (INIS)

    Boivineau, Michel

    1987-01-01

    This research thesis addresses the reactivity of excited states of xenon-halogen Van der Waals complexes (Cl 2 , Br 2 , I 2 ) submitted to a multi-photonic excitation. The objective of this study is, by means of a specific experimental approach, to highlight the R*+ X 2 *- to better understand the reaction mechanism, and to study the reactivity of rare gas/halogen systems depending on the halogen nature. After having reported a bibliographical study on each studied system, the author describes the experimental system, reports and discusses experimental results obtained on the different complex systems (chlorine-, bromine- or iodine-based). He finally comments a possible and original application of these works in the development of an excimer laser with a new active medium (the rare gas/halogen Van der Waals complex) which would allow a continuous operation and an easy discharge production [fr

  20. Structural, (197)Au Mössbauer and solid state (31)P CP/MAS NMR studies on bis (cis-bis(diphenylphosphino)ethylene) gold(I) complexes [Au(dppey)(2)]X for X = PF(6), I.

    Science.gov (United States)

    Healy, Peter C; Loughrey, Bradley T; Bowmaker, Graham A; Hanna, John V

    2008-07-28

    (197)Au Mössbauer spectra for the d(10) gold(i) phosphine complexes, [Au(dppey)(2)]X (X = PF(6), I; dppey = (cis-bis(diphenylphosphino)ethylene), and the single crystal X-ray structure and solid state (31)P CPMAS NMR spectrum of [Au(dppey)(2)]I are reported here. In [Au(dppey)(2)]I the AuP(4) coordination geometry is distorted from the approximately D(2) symmetry observed for the PF(6)(-) complex with Au-P bond lengths 2.380(2)-2.426(2) A and inter-ligand P-Au-P angles 110.63(5)-137.71(8) degrees . Quadrupole splitting parameters derived from the Mössbauer spectra are consistent with the increased distortion of the AuP(4) coordination sphere with values of 1.22 and 1.46 mm s(-1) for the PF(6)(-) and I(-) complexes respectively. In the solid state (31)P CP MAS NMR spectrum of [Au(dppey)(2)]I, signals for each of the four crystallographically independent phosphorus nuclei are observed, with the magnitude of the (197)Au quadrupole coupling being sufficiently large to produce a collapse of (1)J(Au-P) splitting from quartets to doublets. The results highlight the important role played by the counter anion in the determination of the structural and spectroscopic properties of these sterically crowded d(10) complexes.

  1. An investigation of the chromium oxidation state of a monoanionic chromium tris(catecholate) complex by X-ray absorption and EPR spectroscopies

    DEFF Research Database (Denmark)

    Pattison, D I; Levina, A; Davies, Michael Jonathan

    2001-01-01

    The well-known monoanionic Cr tris(3,5-di-tert-butylcatecholato) complex, [Cr(DTBC)3]-, has been studied by X-ray absorption spectroscopy. The multiple-scattering fit to the XAFS gave good correlation (R = 19.8%) and good values for all of the bond lengths, angles, and Debye-Waller factors. The p...

  2. Synthesis, chemistry and catalytic activity of complexes of lanthanide and actinide metals in unusual oxidation states and coordination environments. Progress report, February 1, 1979-January 31, 1980

    International Nuclear Information System (INIS)

    Evans, W.J.

    1979-10-01

    The new synthetic and catalytic reactions involving lanthanide metals which were discovered in the first years of this project have been examined in more detail in the past year. Synthetic and catalytic model systems have been theoretically developed and experimental testing of these hypotheses is in progress. New techniques are being applied to the lanthanide metals to further elucidate the chemistry of these complexes

  3. A shift in nuclear state as the result of natural interspecific hybridization between two North American taxa of the basidiomycete complex Heterobasidion

    Science.gov (United States)

    Matteo Garbelotto; Paolo Gonthier; Rachel Linzer; Giovanni Nicolotti; William Otrosina

    2004-01-01

    A natural first generation hybrid fungus shows interspecific heterozygosity. The nuclear condition of a rare natural hybrid between two taxa of the Heterobasidion complex is investigated. Heterobasidion species are known to be either homokaryotic (haploid) or heterokaryotic (n + n), but heterokaryons are made up of both...

  4. Historical and current fire management practices in two wilderness areas in the southwestern United States: The Saguaro Wilderness Area and the Gila-Aldo Leopold Wilderness Complex

    Science.gov (United States)

    Molly E. Hunter; Jose M. Iniguez; Calvin A. Farris

    2014-01-01

    Fire suppression has been the dominant fire management strategy in the West over the last century. However, managers of the Gila and Aldo Leopold Wilderness Complex in New Mexico and the Saguaro Wilderness Area in Arizona have allowed fire to play a more natural role for decades. This report summarizes the effects of these fire management practices on key resources,...

  5. High-efficiency tris(8-hydroxyquinoline)aluminum (Alq3) complexes for organic white-light-emitting diodes and solid-state lighting.

    Science.gov (United States)

    Pérez-Bolívar, César; Takizawa, Shin-ya; Nishimura, Go; Montes, Victor A; Anzenbacher, Pavel

    2011-08-08

    Combinations of electron-withdrawing and -donating substituents on the 8-hydroxyquinoline ligand of the tris(8-hydroxyquinoline)aluminum (Alq(3)) complexes allow for control of the HOMO and LUMO energies and the HOMO-LUMO gap responsible for emission from the complexes. Here, we present a systematic study on tuning the emission and electroluminescence (EL) from Alq(3) complexes from the green to blue region. In this study, we explored the combination of electron-donating substituents on C4 and C6. Compounds 1-6 displayed the emission tuning between 478 and 526 nm, and fluorescence quantum yield between 0.15 and 0.57. The compounds 2-6 were used as emitters and hosts in organic light-emitting diodes (OLEDs). The highest OLED external quantum efficiency (EQE) observed was 4.6%, which is among the highest observed for Alq(3) complexes. Also, the compounds 3-5 were used as hosts for red phosphorescent dopants to obtain white light-emitting diodes (WOLED). The WOLEDs displayed high efficiency (EQE up to 19%) and high white color purity (color rendering index (CRI≈85). Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Stability and properties of quasi-stable conformational states in the LH2 light-harvesting complex of Rbl. acidophilus bacteria formed by hexacoordination of bacteriochlorophyll a magnesium atom

    Science.gov (United States)

    Belov, Aleksandr S.; Khokhlov, Daniil V.; Glebov, Ilya O.; Poddubnyy, Vladimir V.; Eremin, Vadim V.

    2017-06-01

    Single-molecule spectroscopic experiments on several light-harvesting complexes revealed the existence of a set of metastable conformational states with different spectroscopic properties and lifetimes spanning from milliseconds to tens of seconds. In the absence of explicit structural data, a number of probable structural changes underlying the observed spectroscopic shifts were proposed. We examine the donor-acceptor interaction between the magnesium atom and the acetyl group of the adjacent bacteriochlorophylls a as a possible origin of metastable conformational states in the LH2 light-harvesting complex of Rbl. acidophilus bacteria. The results of QM/MM and molecular dynamics simulations show that such ligation can occur at room temperature and leads to one metastable coordination bond per pair of bacteriochlorophylls in the B850 ring. According to the results of Poisson-TrESP modeling, such coordination lowers the energies of the excited states of the complex by up to 163 cm-1 which causes red spectral shift of the B850 band.

  7. Fast hydrogen elimination from the [Ru(PH3)3(CO)(H)2] and [Ru(PH3)4(H)2] complexes in the first singlet excited states: A diabatic quantum dynamics study

    International Nuclear Information System (INIS)

    Vendrell, Oriol; Moreno, Miquel; Lluch, Jose M.

    2004-01-01

    The photodissociation dynamics of [Ru(PH 3 ) 3 (CO)(H) 2 ] and cis-[Ru(PH 3 ) 4 (H) 2 ] is theoretically analyzed in the lowest two excited singlet states. Energies obtained through electronic density functional theory calculations that use the time-dependent formalism are fitted to analytical reduced two-dimensional potential energy surfaces (2D-PES). The metal-H 2 (R) and H-H (r) distances are the variables of these 2D-PES, the rest of the parameters being kept frozen at the values of the minimum energy structure in the ground electronic state. The time evolution in these 2D-PES is exactly followed by means of a fast Fourier transform algorithm applied to solve the time-dependent Schroedinger equation. A simple diabatization scheme is devised to take into account the probability of transitions between both excited states. The quantum dynamics results point out that photoelimination is almost inexistent if the H 2 fragment is to be expelled without further rearrangement of the rest of the complex. Conversely, when the geometries of the complex are optimized by keeping r and R frozen at the hydrogen elimination barrier coordinates, the new 2D-PES so obtained are highly dissociative, the H 2 fragment being expelled in less than 100 fs. Finally the picture of the whole reaction that emerges from our theoretical results is described and the main differences between both complexes are examined

  8. Suscetibilidade de Biomphalaria tenagophila do Estado de São Paulo à infecção por linhagens de Schistosoma mansoni da Baixada Maranhense (Maranhão, Brasil Susceptibility of Biomphalaria tenagophila, from S. Paulo State, to infection by Schistosoma mansoni, from the State of Maranhão

    Directory of Open Access Journals (Sweden)

    Othon de Carvalho Bastos

    1984-10-01

    Full Text Available Exemplares de Biomphalaria tenagophila, provenientes do Vale do Rio Paraíba do Sul (São Paulo, Brasil, foram expostos às linhagens humana (H e silvestre (S de Schistosoma mansoni, oriundos da Região da Baixada Maranhense, ao noroeste do Estado do Maranhão. As linhagens H e S apresentaram comportamento distinto quando colocadas à infectar os moluscos paulistas. As B. tenagophila infectadas com a linhagem S apresentaram índice de mortalidade inferior ao observado nas infectadas com a linhagem H. No molusco paulista a linhagem silvestre maranhense completou seu desenvolvimento, fato que não ocorreu com a linhagem humana. Estas observações foram comparadas com os resultados anteriormente obtidos, quando estudou-se o comportamento das linhagens H e S do Vale do Rio Paraíba do Sul no molusco simpátrico. Foi verificado que as linhagens maranhenses e paulistas quando comparadas apresentavam comportamento similar frente a B. tenogophila do Vale do Rio Paraíba do Sul, SP.Wild (W and human (H strains of Schistosoma mansoni were isolated in the lowland region of Maranhão State (northeastern Brazil. Snail progenies of Biomphalaria tenagophila collected from Paraiba do Sul River valley (Southeastern Brazil were exposed to W miracidia, obtained from livers of wild rodents,and to H miracidia, from eggs in human stools. The date of elimination of cercariae, the quantity of eliminated larvae, the infection index of the moluscs and the mortality rate of the snails were recorded. This data suggest better adaptation of the W strain than of the H strain to B. tenagophila. These results were compared with published data of H and W strains from the Paraiba do Sul River valley and similar parasitological behavior was found.

  9. (II) complexes

    African Journals Online (AJOL)

    activities of Schiff base tin (II) complexes. Neelofar1 ... Conclusion: All synthesized Schiff bases and their Tin (II) complexes showed high antimicrobial and ...... Singh HL. Synthesis and characterization of tin (II) complexes of fluorinated Schiff bases derived from amino acids. Spectrochim Acta Part A: Molec Biomolec.

  10. History of mesquite introduction in Rio Grande do Norte State, Brazil

    Directory of Open Access Journals (Sweden)

    João Paulo Silva dos Santos

    2017-06-01

    Full Text Available The mesquite (Prosopis juliflora (Sw DC was established as a successful action of xerophilous introduction in Brazilian Northeast dry region. Its fruits are used in animal feed and the wood may be used as piles, firewood and charcoal. The species was introduced in 1942, spreading in "low areas" in Rio Grande do Norte, Paraiba, Pernambuco, Bahia and Piauí States. This article aims to elucidate how mesquite was introduced in Rio Grande do Norte State and to understand how it was spread. It was first introduced in Rio Grande do Norte State by the introduction experiments installed at São Miguel farm in the municipality of Angicos. The enthusiasm of technicians and researchers promoted the distribution of pods and seedlings on farms and cities in the state. In addition, there were government incentives to production, distribution and planting the species. This work aims to establish considerations to be used as historical basis on studies about this species and to consider aspects regarding current situation of this culture in Brazilian Northeast.

  11. One-electron reduction of 1,2-dihydroxy-9,10-anthraquinone and some of its transition metal complexes in aqueous solution and in aqueous isopropanol-acetone-mixed solvent: a steady-state and pulse radiolysis study

    International Nuclear Information System (INIS)

    Das, S.; Bhattacharya, A.; Mandal, P.C.; Rath, M.C.; Mukherjee, T.

    2002-01-01

    One-electron reduction of 1,2-dihydroxy-9,10-anthraquinone (DHA) and its complexes with Cu(II), Ni(II) and Fe(III), by acetone ketyl radical, (CH 3 ) 2 C·OH, was carried out in aqueous solution and in aqueous isopropanol acetone mixed solvent using both steady-state gamma radiolysis and pulse radiolysis techniques. The rate constants for the reduction of DHA at different pH values by the ketyl radical are in the order of ∼10 9 dm 3 mol -1 s -1 , whereas those for the metal complexes are comparatively less. These rate constants are, however, in conformity with the one-electron reduction potentials of the ligand in free DHA and in its metal complexes. Decay kinetics of the one-electron reduced semiquinones of the free ligand and its metal complexes suggest disproportionation of the semiquinone in the case of the free ligand and intermolecular electron transfer from the co-ordinated semiquinone radical to the metal centre in the case of the metal complexes

  12. Communication complexity and information complexity

    Science.gov (United States)

    Pankratov, Denis

    Information complexity enables the use of information-theoretic tools in communication complexity theory. Prior to the results presented in this thesis, information complexity was mainly used for proving lower bounds and direct-sum theorems in the setting of communication complexity. We present three results that demonstrate new connections between information complexity and communication complexity. In the first contribution we thoroughly