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Sample records for crystal-like complexes organization

  1. Geometric triangular chiral hexagon crystal-like complexes organization in pathological tissues biological collision order.

    Science.gov (United States)

    Díaz, Jairo A; Jaramillo, Natalia A; Murillo, Mauricio F

    2007-12-12

    The present study describes and documents self-assembly of geometric triangular chiral hexagon crystal like complex organizations (GTCHC) in human pathological tissues. The authors have found this architectural geometric expression at macroscopic and microscopic levels mainly in cancer processes. This study is based essentially on macroscopic and histopathologic analyses of 3000 surgical specimens: 2600 inflammatory lesions and 400 malignant tumours. Geometric complexes identified photographically at macroscopic level were located in the gross surgical specimen, and these areas were carefully dissected. Samples were taken to carry out histologic analysis. Based on the hypothesis of a collision genesis mechanism and because it is difficult to carry out an appropriate methodological observation in biological systems, the authors designed a model base on other dynamic systems to obtain indirect information in which a strong white flash wave light discharge, generated by an electronic device, hits over the lines of electrical conductance structured in helicoidal pattern. In their experimental model, the authors were able to reproduce and to predict polarity, chirality, helicoid geometry, triangular and hexagonal clusters through electromagnetic sequential collisions. They determined that similar events among constituents of extracelular matrix which drive and produce piezoelectric activity are responsible for the genesis of GTCHC complexes in pathological tissues. This research suggests that molecular crystals represented by triangular chiral hexagons derived from a collision-attraction event against collagen type I fibrils emerge at microscopic and macroscopic scales presenting a lateral assembly of each side of hypertrophy helicoid fibers, that represent energy flow in cooperative hierarchically chiral electromagnetic interaction in pathological tissues and arises as a geometry of the equilibrium in perturbed biological systems. Further interdisciplinary studies must

  2. Geometric triangular chiral hexagon crystal-like complexes organization in pathological tissues biological collision order.

    Directory of Open Access Journals (Sweden)

    Jairo A Díaz

    Full Text Available The present study describes and documents self-assembly of geometric triangular chiral hexagon crystal like complex organizations (GTCHC in human pathological tissues. The authors have found this architectural geometric expression at macroscopic and microscopic levels mainly in cancer processes. This study is based essentially on macroscopic and histopathologic analyses of 3000 surgical specimens: 2600 inflammatory lesions and 400 malignant tumours. Geometric complexes identified photographically at macroscopic level were located in the gross surgical specimen, and these areas were carefully dissected. Samples were taken to carry out histologic analysis. Based on the hypothesis of a collision genesis mechanism and because it is difficult to carry out an appropriate methodological observation in biological systems, the authors designed a model base on other dynamic systems to obtain indirect information in which a strong white flash wave light discharge, generated by an electronic device, hits over the lines of electrical conductance structured in helicoidal pattern. In their experimental model, the authors were able to reproduce and to predict polarity, chirality, helicoid geometry, triangular and hexagonal clusters through electromagnetic sequential collisions. They determined that similar events among constituents of extracelular matrix which drive and produce piezoelectric activity are responsible for the genesis of GTCHC complexes in pathological tissues. This research suggests that molecular crystals represented by triangular chiral hexagons derived from a collision-attraction event against collagen type I fibrils emerge at microscopic and macroscopic scales presenting a lateral assembly of each side of hypertrophy helicoid fibers, that represent energy flow in cooperative hierarchically chiral electromagnetic interaction in pathological tissues and arises as a geometry of the equilibrium in perturbed biological systems. Further

  3. Control in Complex Organizations

    DEFF Research Database (Denmark)

    Rennstam, Jens; Kärreman, Dan

    The extant research on organizational control builds on the assumption of vertical control – managers are thought to develop orders, rules and norms to control the operating core. Yet it is claimed that work becomes increasingly “knowledge intensive” and that organizations rely heavily...... for their productivity on the knowledge and creativity of their work force. In this type of “knowledge work,” the strong focus on vertical control is insufficient as it fails to account for the important operative and horizontal interactions upon which many contemporary organizations depend. Drawing on practice theory...... and an ethnographic study of engineering work, this paper theorizes control as a form of work that does not only belong to formal management, but is dispersed among various work activities, including horizontal ones. The article introduces the idea of control work as a key practice in contemporary organizations...

  4. Complexant stability investigation. Task 2. Organic complexants

    Energy Technology Data Exchange (ETDEWEB)

    Martin, E.C.

    1985-06-01

    The safety of high-level defense waste operations has always been given highest priority at the Hanford site. This document is part of the continued effort to appraise and reevaluate the safety of the waste stored in underground tanks on the Hanford Reservation. Hanford high-level defense waste consists mainly of moist, inorganic salts, NaNO/sub 3/, NaAl(OH)/sub 4/, Na/sub 2/CO/sub 3/, and other sodium salts. However, in addition to these salts, quantities of organic compounds constitute a significant portion of the waste. The potential reaction of the organic compounds with inorganic salts to form explosive substances is examined and found to be nonexistent or negligible. The concept that the waste mixture might react exothermically is found to be untenable under the present storage conditions. The phenomenon of slurry growth in double-shell waste storage tanks is expected to cause no increase in exothermic reaction potential within the waste. The results of this study indicate that the presence of organic material in the high-level defense waste does not constitute undue hazard under the present storage conditions.

  5. Increase of Organization in Complex Systems

    CERN Document Server

    Georgiev, Georgi Yordanov; Gombos, Erin; Vinod, Amrit; Hoonjan, Gajinder

    2013-01-01

    Measures of complexity and entropy have not converged to a single quantitative description of levels of organization of complex systems. The need for such a measure is increasingly necessary in all disciplines studying complex systems. To address this problem, starting from the most fundamental principle in Physics, here a new measure for quantity of organization and rate of self-organization in complex systems based on the principle of least (stationary) action is applied to a model system - the central processing unit (CPU) of computers. The quantity of organization for several generations of CPUs shows a double exponential rate of change of organization with time. The exact functional dependence has a fine, S-shaped structure, revealing some of the mechanisms of self-organization. The principle of least action helps to explain the mechanism of increase of organization through quantity accumulation and constraint and curvature minimization with an attractor, the least average sum of actions of all elements ...

  6. Hierarchical Self-organization of Complex Systems

    Institute of Scientific and Technical Information of China (English)

    CHAI Li-he; WEN Dong-sheng

    2004-01-01

    Researches on organization and structure in complex systems are academic and industrial fronts in modern sciences. Though many theories are tentatively proposed to analyze complex systems, we still lack a rigorous theory on them. Complex systems possess various degrees of freedom, which means that they should exhibit all kinds of structures. However, complex systems often show similar patterns and structures. Then the question arises why such similar structures appear in all kinds of complex systems. The paper outlines a theory on freedom degree compression and the existence of hierarchical self-organization for all complex systems is found. It is freedom degree compression and hierarchical self-organization that are responsible for the existence of these similar patterns or structures observed in the complex systems.

  7. Intelligent freeform manufacturing of complex organs.

    Science.gov (United States)

    Wang, Xiaohong

    2012-11-01

    Different from the existing tissue engineering strategies, rapid prototyping (RP) techniques aim to automatically produce complex organs directly from computer-aided design freeform models with high resolution and sophistication. Analogous to building a nuclear power plant, cell biology (especially, renewable stem cells), implantable biomaterials, tissue engineering, and single/double/four nozzle RP techniques currently enable researchers in the field to realize a part of the task of complex organ manufacturing. To achieve this multifaceted undertaking, a multi-nozzle rapid prototyping system which can simultaneously integrate an anti-suture vascular system, multiple cell types, and a cocktail of growth factors in a construct should be developed. This article reviews the pros and cons of the existing cell-laden RP techniques for complex organ manufacturing. It is hoped that with the comprehensive multidisciplinary efforts, the implants can virtually replace the functions of a solid internal organ, such as the liver, heart, and kidney.

  8. Complex Systems and Self-organization Modelling

    CERN Document Server

    Bertelle, Cyrille; Kadri-Dahmani, Hakima

    2009-01-01

    The concern of this book is the use of emergent computing and self-organization modelling within various applications of complex systems. The authors focus their attention both on the innovative concepts and implementations in order to model self-organizations, but also on the relevant applicative domains in which they can be used efficiently. This book is the outcome of a workshop meeting within ESM 2006 (Eurosis), held in Toulouse, France in October 2006.

  9. Graphic Organizers: Toward Organization and Complexity of Student Content Knowledge

    OpenAIRE

    Watson, Carol Elizabeth

    2005-01-01

    ABSTRACT Within the current national atmosphere of accountability and high-stakes testing, many teachers are changing their instruction to return to more traditional strategies that emphasize rote memorization. As a result, classroom curriculum and student learning are narrowing. This study sought to explore the potential of graphic organizers as an instructional strategy to expand student content knowledge beyond rote memorization to include more organized, complex, meaningful learning. ...

  10. Solution growth of metal-organic complex CuTCNQ in small dimension interconnect structures

    Science.gov (United States)

    Demolliens, A.; Muller, Ch.; Müller, R.; Turquat, Ch.; Goux, L.; Deleruyelle, D.; Wouters, D. J.

    2010-11-01

    In this paper, we report two different elaboration routes to grow metal-organic complex CuTCNQ in liquid phase within small interconnect structures (i.e. via holes opened in SiO 2/SiC stack). The basic common idea relies on the formation of CuTCNQ material from the partial corrosion of a Cu bottom electrode by a TCNQ-based solution. The two solution growth methods are compared in terms of (i) via holes filling; (ii) local microstructure of CuTCNQ complex and (iii) quality of interface between CuTCNQ and copper metallic electrode. In the first route, in the reaction of the substrate with a TCNQ/copper salt solution in acetonitrile/toluene, a rapid formation of porous CuTCNQ complex is observed with an over-growth outside interconnect structures and many voids within via holes and at the interface with Cu layer. In contrast to this "mushroom-like" growth, the reaction of the substrate with a TCNQ solution in acetonitrile/2-butanone results in a "crystal-like" dense CuTCNQ complex within via holes and a CuTCNQ/Cu interface free of voids. In the latter case, satisfactory electrical performances are expected for future resistive switching memory devices.

  11. ERP SYSTEMS IMPLEMENTATION IN COMPLEX ORGANIZATIONS

    Directory of Open Access Journals (Sweden)

    Alfredo Iarozinski Neto

    2009-07-01

    Full Text Available ERP (Enterprise Resource Planning systems implementation is a great organizational change, which many times does not reach the desired results. This paper proposes to help understand this implementation, considering that the knowledge of change and evolution processes in organizations may lead to other aspects to be considered, assisting in the identification of the most appropriate actions, restrictions and items that may help sustain the change. It proposes a complex organizational reference model to contribute understanding of the implementation process. Research results show that the concepts proposed in this model – subsystems, emergence, behavior attractors and complexity limits – apply to organizations and contribute to the understanding of the changes triggered by an ERP system implementation. Among other contributions, this work shows the importance of potential generation for change, the relationship among the behavior attractor and competitive advantages gained, and organizational systems maturity considerations.

  12. Higher-order organization of complex networks.

    Science.gov (United States)

    Benson, Austin R; Gleich, David F; Leskovec, Jure

    2016-07-08

    Networks are a fundamental tool for understanding and modeling complex systems in physics, biology, neuroscience, engineering, and social science. Many networks are known to exhibit rich, lower-order connectivity patterns that can be captured at the level of individual nodes and edges. However, higher-order organization of complex networks--at the level of small network subgraphs--remains largely unknown. Here, we develop a generalized framework for clustering networks on the basis of higher-order connectivity patterns. This framework provides mathematical guarantees on the optimality of obtained clusters and scales to networks with billions of edges. The framework reveals higher-order organization in a number of networks, including information propagation units in neuronal networks and hub structure in transportation networks. Results show that networks exhibit rich higher-order organizational structures that are exposed by clustering based on higher-order connectivity patterns.

  13. Catalytic Organic Transformations Mediated by Actinide Complexes

    Directory of Open Access Journals (Sweden)

    Isabell S. R. Karmel

    2015-10-01

    Full Text Available This review article presents the development of organoactinides and actinide coordination complexes as catalysts for homogeneous organic transformations. This chapter introduces the basic principles of actinide catalysis and deals with the historic development of actinide complexes in catalytic processes. The application of organoactinides in homogeneous catalysis is exemplified in the hydroelementation reactions, such as the hydroamination, hydrosilylation, hydroalkoxylation and hydrothiolation of alkynes. Additionally, the use of actinide coordination complexes for the catalytic polymerization of α-olefins and the ring opening polymerization of cyclic esters is presented. The last part of this review article highlights novel catalytic transformations mediated by actinide compounds and gives an outlook to the further potential of this field.

  14. Complexity, organization, evolution, and constructal law

    Science.gov (United States)

    Bejan, A.; Errera, M. R.

    2016-02-01

    Physics is concise, simple, unambiguous, and constantly improving. Yet, confusion reigns in the field especially with respect to complexity and the second law of thermodynamics. In this paper, we step back and take a look at these notions—their meaning and definition—on the background provided by nature and thermodynamics. We review the central concepts and words that underpin the physics of evolutionary design today: information, knowledge, evolution, change, arrow of time, pattern, organization, drawings, complexity, fractal dimension, object, icon, model, empiricism, theory, disorder, second law, the "any" system in thermodynamics, morphing freely, and the constructal law. We show, for example, that information is not knowledge, fractal dimension is not a measure of complexity, and pattern is not a live flow architecture. Drawings, as physical means to facilitate the flow of knowledge, are subject to the natural tendency toward design evolution. Complexity, organization, and evolution in nature are most powerful and useful when pursued as a discipline, with precise terms, rules, and principles.

  15. Supercritical separation process for complex organic mixtures

    Science.gov (United States)

    Chum, Helena L.; Filardo, Giuseppe

    1990-01-01

    A process is disclosed for separating low molecular weight components from complex aqueous organic mixtures. The process includes preparing a separation solution of supercritical carbon dioxide with an effective amount of an entrainer to modify the solvation power of the supercritical carbon dioxide and extract preselected low molecular weight components. The separation solution is maintained at a temperature of at least about 70.degree. C. and a pressure of at least about 1,500 psi. The separation solution is then contacted with the organic mixtures while maintaining the temperature and pressure as above until the mixtures and solution reach equilibrium to extract the preselected low molecular weight components from the organic mixtures. Finally, the entrainer/extracted components portion of the equilibrium mixture is isolated from the separation solution.

  16. Search for complex organic molecules in space

    Science.gov (United States)

    Ohishi, Masatoshi

    2016-07-01

    It was 1969 when the first organic molecule in space, H2CO, was discovered. Since then many organic molecules were discovered by using the NRAO 11 m (upgraded later to 12 m), Nobeyama 45 m, IRAM 30 m, and other highly sensitive radio telescopes as a result of close collaboration between radio astronomers and microwave spectroscopists. It is noteworthy that many famous organic molecules such as CH3OH, C2H5OH, (CH3)2O and CH3NH2 were detected by 1975. Organic molecules were found in so-called hot cores where molecules were thought to form on cold dust surfaces and then to evaporate by the UV photons emitted from the central star. These days organic molecules are known to exist not only in hot cores but in hot corinos (a warm, compact molecular clump found in the inner envelope of a class 0 protostar) and even protoplanetary disks. As was described above, major organic molecules were known since 1970s. It was very natural that astronomers considered a relationship between organic molecules in space and the origin of life. Several astronomers challenged to detect glycine and other prebiotic molecules without success. ALMA is expected to detect such important materials to further consider the gexogenous deliveryh hypothesis. In this paper I summarize the history in searching for complex organic molecules together with difficulties in observing very weak signals from larger species. The awfully long list of references at the end of this article may be the most useful part for readers who want to feel the exciting discovery stories.

  17. Complex Organic Molecules in Protoplanetary Disks

    Science.gov (United States)

    Walsh, Catherine; Millar, T. J.; Nomura, H.; Herbst, E.; Widicus-Weaver, S.

    2013-06-01

    Protoplanetary disks are vital objects in star and planet formation. In addition to aiding mass accretion onto the central star and angular momentum dissipation, they also contain all material which may form an orbiting planetary system. Of great interest to the astrochemistry and astrobiology communities is the origin of prebiotic molecules, considered the "building blocks" of Life. Is it possible for complex molecules to form in protoplanetary disks and survive assimilation into planets and other planetary system objects, such as, comets? We explore the synthesis of large complex organic molecules (COMs) in protoplanetary disks which encompass young stars. We use a chemical network primarily developed for use in hot core models to calculate the abundance and distribution of gas-phase and grain-mantle (ice) COMs and discuss the potential of observing the gas-phase form of these species with new facilities, such as, ALMA.

  18. Organic complexant topical report. Revision 1

    Energy Technology Data Exchange (ETDEWEB)

    Meacham, J.E.; and others

    1997-06-26

    This document reviews the current understanding of hazards associated with the storage of organic complexant salts in Hanford Site high-level waste tanks. Two distinct hazards were evaluated: spontaneous self- accelerating decomposition reactions in the bulk material (bulk runaway) and ignition followed by condensed phase propagation (point source ignition). Results from the bulk runaway assessment showed that bulk runaway is not credible for all tanks except C-106. However, speciation of the organic in C-106 shows that it is almost all in the form of low energy oxalate, and there is little potential for a bulk runaway. Additional testing and evaluation would be necessary to definitely conclude that there is no potential for bulk runaway; therefore, controls are currently required for his tank. Temperature monitoring and controls (water addition and active ventilation) are adequate to prevent bulk runaway in C-106.

  19. Complex organic molecules in protoplanetary disks

    CERN Document Server

    Walsh, Catherine; Nomura, Hideko; Herbst, Eric; Weaver, Susanna L Widicus; Aikawa, Yuri; Laas, Jake C; Vasyunin, Anton I

    2014-01-01

    (Abridged) Protoplanetary disks are vital objects in star and planet formation, possessing all the material which may form a planetary system orbiting the new star. We investigate the synthesis of complex organic molecules (COMs) in disks to constrain the achievable chemical complexity and predict species and transitions which may be observable with ALMA. We have coupled a 2D model of a protoplanetary disk around a T Tauri star with a gas-grain chemical network including COMs. We compare compare synthesised line intensities and calculated column densities with observations and determine those COMs which may be observable in future. COMs are efficiently formed in the disk midplane via grain-surface chemical reactions, reaching peak grain-surface fractional abundances 1e-6 - 1e-4 that of the H nuclei number density. COMs formed on grain surfaces are returned to the gas phase via non-thermal desorption; however, gas-phase species reach lower fractional abundances than their grain-surface equivalents, 1e-12 - 1e-...

  20. Organization structures for dealing with complexity

    NARCIS (Netherlands)

    Meijer, B.R.

    2006-01-01

    "Complexity is in the eye of the beholder" is a well known quote in the research field of complexity. In the world of managers the word complex is often a synonym for difficult, complicated, involving many factors and highly uncertain. A complex business decision requires careful preparation and clo

  1. Organization structures for dealing with complexity

    NARCIS (Netherlands)

    Meijer, B.R.

    2006-01-01

    "Complexity is in the eye of the beholder" is a well known quote in the research field of complexity. In the world of managers the word complex is often a synonym for difficult, complicated, involving many factors and highly uncertain. A complex business decision requires careful preparation and

  2. Implication of Abduction: Complexity without Organized Interaction

    Science.gov (United States)

    Kamiura, Moto

    2010-11-01

    Abduction, which is articulated by C.S. Peirce, is one of the forms of inference. Abduction has been researched not only in philosophy but also in artificial intelligence and information science. Finlay and Dix's representation of abduction (1996) has almost the same meaning which is given by Peirce. On the other hand, Sawa and Gunji (2010) express three types of inference as operations of arrows on a simple triangular diagram. In the present paper, we show that Sawa-Gunji's representation of abduction is consistent with Finlay-Dix's one, and synthesize the two representations. Both parameter estimation and abduction occupy a similar position on the synthesized representation, but they are not completely corresponding. We present "incomplete" parameter estimation as a sort of "simulated abduction", since abduction has an intrinsic incompleteness, which means that abduction is formally equivalent to "the logical fallacy affirming the consequent". In other words, a numerical aspect of abduction (i.e. the simulated abduction) is formalized as incomplete parameter estimation. The concept of simulated abduction is applied to parameter estimation of auto-regressive models, and the effects of it is investigated. As a result of the numerical analyses, the distribution of the incompletely estimated parameter shows a power law of the slop -2 in the tail, although conventionally estimated parameter is normally distributed. The power law of the incompletely estimated parameter is based on the structure of ratio distribution. In other words, this result shows that the power law can arise when system observers premise a linearity of input and output data which are too small to estimate the system structure. We call the premise of the system observers "linearity bias". As an example of the cause of power law distributions, self-organized criticality (SOC) has been known. These distributions are based on the mechanisms of the systems themselves, which have some organized

  3. A new metalation complex for organic synthesis and polymerization reactions

    Science.gov (United States)

    Hirshfield, S. M.

    1971-01-01

    Organometallic complex of N,N,N',N' tetramethyl ethylene diamine /TMEDA/ and lithium acts as metalation intermediate for controlled systhesis of aromatic organic compounds and polymer formation. Complex of TMEDA and lithium aids in preparation of various organic lithium compounds.

  4. Does network complexity help organize Babel's library?

    CERN Document Server

    Cárdenas, Juan Pablo; Benito, Rosa María; Losada, Juan Carlos

    2014-01-01

    In this work, we study properties of texts from the perspective of complex network theory. Words in given texts are linked by co-occurrence and transformed into networks, and we observe that these display topological properties common to other complex systems. However, there are some properties that seem to be exclusive to texts; many of these properties depend on the frequency of words in the text, while others seem to be strictly determined by the grammar. Precisely, these properties allow for a categorization of texts as either with a sense and others encoded or senseless.

  5. Functional self-organization in complex systems

    Energy Technology Data Exchange (ETDEWEB)

    Fontana, W. (Los Alamos National Lab., NM (USA) Santa Fe Inst., NM (USA))

    1990-01-01

    A novel approach to functional self-organization is presented. It consists of a universe generated by a formal language that defines objects (=programs), their meaning (=functions), and their interactions (=composition). Results obtained so far are briefly discussed. 17 refs., 5 figs.

  6. Complex Organics from Laboratory Simulated Interstellar Ices

    Science.gov (United States)

    Dworkin, J. P.

    2003-01-01

    Many of the volatiles in interstellar dense clouds exist in ices surrounding dust grains. The low temperatures of these ices (T organics. We study the UV and proton radiation processing of interstellar ice analogs to explore links between interstellar chemistry, the organics in comets and meteorites, and the origin of life on Earth. The high D/H ratios in some interstellar species, and the knowledge that many of the organics in primitive meteorites are D-enriched, suggest that such links are plausible. Once identified, these species may serve as markers of interstellar heritage of cometary dust and meteorites. Of particular interest are our findings that UV photolysis of interstellar ice analogs produce molecules of importance in current living organisms, including quinones, amphiphiles, and amino acids. Quinones are essential in vital metabolic roles such as electron transport. Studies show that quinones should be made wherever polycyclic aromatic hydrocarbons are photolyzed in interstellar ices. In the case of anthracene-containing ices, we have observed the production of 9-anthrone and 9,10 anthraquinone, both of which have been observed in the Murchison meteorite. Amphiphiles are also made when mixed molecular ices are photolyzed. These amphiphiles self-assemble into fluorescent vesicles when placed in liquid water, as do Murchison extracts. Both have the ability to trap an ionic dye. Photolysis of plausible ices can also produce alanine, serine, and glycine as well as a number of small alcohols and amines. Flash heating of the room temperature residue generated by such experiments generates mass spectral distributions similar to those of IDPs. The detection of high D/H ratios in some interstellar molecular species, and the knowledge that many of the organics, such as hydroxy and amino acids, in primitive meteorites are D-enriched provides evidence for a connection between intact organic material in the interstellar medium and in meteorites. Thus, some of the

  7. Formation of crystal-like structures and branched networks from nonionic spherical micelles

    Science.gov (United States)

    Cardiel, Joshua J.; Furusho, Hirotoshi; Skoglund, Ulf; Shen, Amy Q.

    2015-12-01

    Crystal-like structures at nano and micron scales have promise for purification and confined reactions, and as starting points for fabricating highly ordered crystals for protein engineering and drug discovery applications. However, developing controlled crystallization techniques from batch processes remain challenging. We show that neutrally charged nanoscale spherical micelles from biocompatible nonionic surfactant solutions can evolve into nano- and micro-sized branched networks and crystal-like structures. This occurs under simple combinations of temperature and flow conditions. Our findings not only suggest new opportunities for developing controlled universal crystallization and encapsulation procedures that are sensitive to ionic environments and high temperatures, but also open up new pathways for accelerating drug discovery processes, which are of tremendous interest to pharmaceutical and biotechnological industries.

  8. Organic/Inorganic Complex Pigments: Ancient Colors Maya Blue

    Energy Technology Data Exchange (ETDEWEB)

    Polette-Niewold, L.A.; Manciu, F.S.; Torres, B.; Alvarado, M.; Jr.; Chianelli, R.R.

    2009-06-04

    Maya Blue is an ancient blue pigment composed of palygorskite clay and indigo. It was used by the ancient Maya and provides a dramatic background for some of the most impressive murals throughout Mesoamerica. Despite exposure to acids, alkalis, and chemical solvents, the color of the Maya Blue pigment remains unaltered. The chemical interaction between palygorskite and indigo form an organic/inorganic complex with the carbonyl oxygen of the indigo bound to a surface Al{sup 3+} in the Si-O lattice. In addition indigo will undergo an oxidation to dehydroindigo during preparation. The dehydro-indigo molecule forms a similar but stronger complex with the Al{sup 3+}. Thus, Maya Blue varies in color due to the mixed indigo/dehydroindigo complex. The above conclusions are the result of application of multiple techniques (X-ray diffraction, differential thermal analysis/thermal gravimetric analysis, high resolution transmission electron microscopy, scanning electron microscopy, infrared and Raman spectroscopy) to the characterization of the organic/inorganic complex. A picture of the bonding of the organic molecule to the palygorskite surface forming a surface complex is developed and supported by the results of density functional theory calculations. We also report that other organic molecules such as thioindigo form similar organic/inorganic complexes thus, opening an entirely new class of complex materials for future applications.

  9. An application of a measure for organization of complex networks

    Science.gov (United States)

    Georgiev, Georgi; Daly, Michael

    2013-03-01

    In order to measure self-organization in complex networks a quantitative measure for organization is necessary. This will allow us to measure their degree of organization and rate of self-organization. We apply as a measure for quantity of organization the inverse of the average sum of physical actions of all elements in a system per unit motion multiplied by the Planck's constant, using the principle of least action. The meaning of quantity of organization here is the inverse of average number of quanta of action per one node crossing of an element of the system. We apply this measure to the central processing unit (CPU) of computers. The organization for several generations of CPUs shows a double exponential rate of change of organization with time. The exact functional dependence has, S-shaped structure, suggesting some of the mechanisms of self-organization. We also study the dependence of organization on the number of transistors. This method helps us explain the mechanism of increase of organization through quantity accumulation and constraint and curvature minimization with an attractor, the least average sum of actions of all elements and for all motions. This approach can help to describe, quantify, measure, manage, design and predict future behavior of complex systems to achieve the highest rates of self-organization to improve their quality.

  10. Application of Microwave Irradiation to Rapid Organic Inclusion Complex

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    @@ Microwave irradiation has been used in chemical laboratories for moisture analysis and wet asking procedures of biological and geological materials for a number of years [1]. More recently the microwave irradiation also widely used for rapid organic synthesis [2]. However, there have not yet been any reports concerning the ultilisatioin of microwave ovens in the routine organic inclusion complex regularly in chemical research.

  11. Organically complexed iron enhances bioavailability of antimony to maize (Zea mays) seedlings in organic soils.

    Science.gov (United States)

    Ptak, Corey; McBride, Murray

    2015-12-01

    Antimony (Sb) is a metalloid belonging to group 15 of the periodic table. Chemical similarities between arsenic (As) and Sb produce concerns about potential health effects of Sb and enrichment in the environment. Antimony is found in oxic environments predominately as an oxyanionic species, antimonite (Sb[OH](6-)). As a result of its net negative charge, Sb[OH](6-) was not initially predicted to have strong interactions with natural organic matter. Oxyanionic species could bind the negatively charged organic matter via a ternary complexation mechanism, in which cationic metals mediate the strong association between organic matter functional groups and oxyanions. However, these interactions are poorly understood in how they influence the bioavailability of oxyanionic contaminants to plants. Iron (Fe) additions to organic soils have been found to increase the number of organically complexed Fe sites suitable for Sb exchange, resulting in a reduced bioavailable fraction of Sb. The bioavailability of Sb to maize seedlings as a function of organically complexed Fe was examined using a greenhouse study. A significant increase in plant tissue Sb was observed as organically complexed Fe increased, which was not predicted by methods commonly used to assess bioavailable Sb. Extraction of soils with organic acids common to the maize rhizosphere suggested that organic acid exudation can readily mobilize Sb bound by organic Fe complexes.

  12. Recent Advances in Organic Reactions Catalyzed by Lanthanide (Ⅲ) Complexes

    Institute of Scientific and Technical Information of China (English)

    CHEN,Rui-Fang(陈瑞芳); QIAN,Chang-Tao(钱长涛)

    2002-01-01

    Lanthanide compounds have been attracting much attention in organic synthesis. Chiral Ln-substituted BINOL have been widely studied in several asymmetric organic reactions. LnCl3 and Ln(OTf)3 have been expected to serve as Lewis acids and have been applied to many important synthetic reactions in a one-pot manner. Ln(O-i-Pr)3 exhibits some basic characters,which also can be utilized in some special organic transformation. This article deals with some lanthanides (Ⅲ) complexes promoted organic reactions, which we have recently developed.

  13. Complexation of lead by organic matter in Luanda Bay, Angola.

    Science.gov (United States)

    Leitão, Anabela; Santos, Ana Maria; Boaventura, Rui A R

    2015-10-01

    Speciation is defined as the distribution of an element among different chemical species. Although the relation between speciation and bioavailability is complex, the metal present as free hydrated ion, or as weak complexes able to dissociate, is usually more bioavailable than the metal incorporated in strong complexes or adsorbed on colloidal or particulate matter. Among the analytical techniques currently available, anodic stripping voltammetry (ASV) has been one of the most used in the identification and quantification of several heavy metal species in aquatic systems. This work concerns the speciation study of lead, in original (natural, non-filtered) and filtered water samples and in suspensions of particulate matter and sediments from Luanda Bay (Angola). Complexes of lead with organics were identified and quantified by differential pulse anodic stripping voltammetry technique. Each sample was progressively titrated with a Pb(II) standard solution until complete saturation of the organic ligands. After each addition of Pb(II), the intensity, potential and peak width of the voltammetric signal were measured. The results obtained in this work show that more than 95 % of the lead in the aquatic environment is bound in inert organic complexes, considering all samples from different sampling sites. In sediment samples, the lead is totally (100 %) complexed with ligands adsorbed on the particles surface. Two kinds of dominant lead complexes, very strong (logK >11) and strong to moderately strong (8< logK <11), were found, revealing the lead affinity for the stronger ligands.

  14. Organic light-emitting diodes from homoleptic square planar complexes

    Science.gov (United States)

    Omary, Mohammad A

    2013-11-12

    Homoleptic square planar complexes [M(N.LAMBDA.N).sub.2], wherein two identical N.LAMBDA.N bidentate anionic ligands are coordinated to the M(II) metal center, including bidentate square planar complexes of triazolates, possess optical and electrical properties that make them useful for a wide variety of optical and electrical devices and applications. In particular, the complexes are useful for obtaining white or monochromatic organic light-emitting diodes ("OLEDs"). Improved white organic light emitting diode ("WOLED") designs have improved efficacy and/or color stability at high brightness in single- or two-emitter white or monochrome OLEDs that utilize homoleptic square planar complexes, including bis[3,5-bis(2-pyridyl)-1,2,4-triazolato]platinum(II) ("Pt(ptp).sub.2").

  15. Self-organization in complex systems as decision making

    CERN Document Server

    Yukalov, V I

    2014-01-01

    The idea is advanced that self-organization in complex systems can be treated as decision making (as it is performed by humans) and, vice versa, decision making is nothing but a kind of self-organization in the decision maker nervous systems. A mathematical formulation is suggested based on the definition of probabilities of system states, whose particular cases characterize the probabilities of structures, patterns, scenarios, or prospects. In this general framework, it is shown that the mathematical structures of self-organization and of decision making are identical. This makes it clear how self-organization can be seen as an endogenous decision making process and, reciprocally, decision making occurs via an endogenous self-organization. The approach is illustrated by phase transitions in large statistical systems, crossovers in small statistical systems, evolutions and revolutions in social and biological systems, structural self-organization in dynamical systems, and by the probabilistic formulation of c...

  16. Distinctive features of a crystal, crystal-like properties of a liquid and atomic quantum effects

    Science.gov (United States)

    Pavlov, V. V.

    2008-02-01

    It is believed that 'a crystal is similar to the crowd which is tightly compressed within enclosed space' and its structure in the simplest case is similar to the closest ball packing. Based on this assumption the strength of a crystal, long range ordering, the granular structure, capability for polymorphic transformation etc. were deduced. In a liquid such properties are impossible even in feebly marked form. However some of crystal-like features of melts are revealed in experiments and they frequently remain unacknowledged with a theory. From the other hand, computer model of crystal does not give even listed distinctive features of a crystal state. In the classical model the solidification more than to sunflower oil consistence was not obtained. It is possible to reach the real solidification if quantum 'freezing' of a part of atomic degrees of freedom would taken into account and any movement would stopped at zero energy level. There are some reasons to believe that another crystal properties and corresponding crystal-like features of liquids also can be got basing on these atomic quantum effects. In this case the reasons of many discussions on 'heredity', 'memory' of liquid and its microheterogeneity disappear.

  17. Inducing uniform single-crystal like orientation in natural rubber with constrained uniaxial stretch.

    Science.gov (United States)

    Zhou, Weiming; Meng, Lingpu; Lu, Jie; Wang, Zhen; Zhang, Wenhua; Huang, Ningdong; Chen, Liang; Li, Liangbin

    2015-07-07

    The effect of flow on crystallization is commonly attributed to entropic reduction, which is caused by stretch and orientation of polymer chains but overlooks the role of flow on final-state free energy. With the aid of in situ synchrotron radiation wide-angle X-ray diffraction (WAXD) and a homemade constrained uniaxial tensile testing machine, polycrystals possessing single-crystal-like orientation rather than uniaxial orientation are found during the constrained stretch of natural rubber, whereas the c-axis and a-axis align in the stretch direction (SD) and constrained direction (CD), respectively. Molecular dynamics simulation shows that aligning the a-axis of crystal nuclei in CD leads to the lowest free energy increase and favors crystal nucleation. This indicates that the nomenclature of strain-induced crystallization may not fully account for the nature of flow-induced crystallization (FIC) as strain mainly emphasizes the entropic reduction of initial melt, whereas stress rather than strain plays the dominant role in crystal deformation. The current work not only contributes to a comprehensive understanding of the mechanism of flow-induced crystallization but also demonstrates the potential application of constrained uniaxial tensile stretch for the creation of functional materials containing polycrystals that possess single-crystal-like orientation.

  18. Low cost, single crystal-like substrates for practical, high efficiency solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Goyal, A.; Specht, E.D.; List, F.A. [and others

    1997-09-01

    It is well established that high efficiency (20%) solar cells can be routinely fabricated using single crystal photovoltaic (PV) materials with low defect densities. Polycrystalline materials with small grain sizes and no crystallographic texture typically result in reduced efficiences. This has been ascribed primarily to the presence of grain boundaries and their effect on recombination processes. Furthermore, lack of crystallographic texture can result in a large variation in dopant concentrations which critically control the electronic properties of the material. Hence in order to reproducibly fabricate high efficiency solar cells a method which results in near single crystal material is desirable. Bulk single crystal growth of PV materials is cumbersome, expensive and difficult to scale up. We present here a possible route to achieve this if epitaxial growth of photovoltaic materials on rolling-assisted-biaxially textured-substrates (RABiTS) can be achieved. The RABiTS process uses well-established, industrially scaleable, thermomechanical processing to produce a biaxially textured or single-crystal-like metal substrate with large grains (50-100 {mu}m). This is followed by epitaxial growth of suitable buffer layers to yield chemically and structurally compatible surfaces for epitaxial growth of device materials. Using the RABiTS process it should be possible to economically fabricate single-crystal-like substrates of desired sizes. Epitaxial growth of photovoltaic devices on such substrates presents a possible route to obtaining low-cost, high performance solar cells.

  19. Application of Microwave Irradiation to Rapid Organic Inclusion Complex

    Institute of Scientific and Technical Information of China (English)

    Yan; Xiaohua

    2001-01-01

    Microwave irradiation has been used in chemical laboratories for moisture analysis and wet asking procedures of biological and geological materials for a number of years [1]. More recently the microwave irradiation also widely used for rapid organic synthesis [2]. However, there have not yet been any reports concerning the ultilisatioin of microwave ovens in the routine organic inclusion complex regularly in chemical research.  ……

  20. Metal–organic complexation in the marine environment

    Directory of Open Access Journals (Sweden)

    Witter Amy

    2001-09-01

    Full Text Available We discuss the voltammetric methods that are used to assess metal–organic complexation in seawater. These consist of titration methods using anodic stripping voltammetry (ASV and cathodic stripping voltammetry competitive ligand experiments (CSV-CLE. These approaches and a kinetic approach using CSV-CLE give similar information on the amount of excess ligand to metal in a sample and the conditional metal ligand stability constant for the excess ligand bound to the metal. CSV-CLE data using different ligands to measure Fe(III organic complexes are similar. All these methods give conditional stability constants for which the side reaction coefficient for the metal can be corrected but not that for the ligand. Another approach, pseudovoltammetry, provides information on the actual metal–ligand complex(es in a sample by doing ASV experiments where the deposition potential is varied more negatively in order to destroy the metal–ligand complex. This latter approach gives concentration information on each actual ligand bound to the metal as well as the thermodynamic stability constant of each complex in solution when compared to known metal–ligand complexes. In this case the side reaction coefficients for the metal and ligand are corrected. Thus, this method may not give identical information to the titration methods because the excess ligand in the sample may not be identical to some of the actual ligands binding the metal in the sample.

  1. Complex organic molecules in organic-poor massive young stellar objects

    DEFF Research Database (Denmark)

    Fayolle, Edith C.; Öberg, Karin I.; Garrod, Robin T.;

    2015-01-01

    aim to use complex molecule abundances toward a chemically less explored class of MYSOs with weak hot organic emission lines to constrain the impact of hot molecular cores and initial ice conditions on the chemical composition toward MYSOs. Methods. We use the IRAM 30 m and the Submillimeter Array......Context. Massive young stellar objects (MYSOs) with hot cores are classic sources of complex organic molecules. The origins of these molecules in such sources, as well as the small-and large-scale differentiation between nitrogen-and oxygen-bearing complex species, are poorly understood. Aims. We...... to search for complex organic molecules over 8-16 GHz in the 1 mm atmospheric window toward three MYSOs with known ice abundances, but without luminous molecular hot cores. Results. Complex molecules are detected toward all three sources at comparable abundances with respect to CH3OH to classical hot core...

  2. Structural complexities in the active layers of organic electronics.

    Science.gov (United States)

    Lee, Stephanie S; Loo, Yueh-Lin

    2010-01-01

    The field of organic electronics has progressed rapidly in recent years. However, understanding the direct structure-function relationships between the morphology in electrically active layers and the performance of devices composed of these materials has proven difficult. The morphology of active layers in organic electronics is inherently complex, with heterogeneities existing across multiple length scales, from subnanometer to micron and millimeter range. A major challenge still facing the organic electronics community is understanding how the morphology across all of the length scales in active layers collectively determines the device performance of organic electronics. In this review we highlight experiments that have contributed to the elucidation of structure-function relationships in organic electronics and also point to areas in which knowledge of such relationships is still lacking. Such knowledge will lead to the ability to select active materials on the basis of their inherent properties for the fabrication of devices with prespecified characteristics.

  3. Potential Trace Metal–Organic Complexation in the Atmosphere

    Directory of Open Access Journals (Sweden)

    Hiroshi Okochi

    2002-01-01

    Full Text Available It is possible that metal–organic complexation enhances the uptake of gaseous organic compounds and the solubility of metals in aerosols and atmospheric water. We investigated potential atmospheric organic ligands and the enhanced uptake of hydroxy-, oxo-, and dicarboxylic acids as well as dicarbonyls into atmospheric aqueous aerosol. We examined complexation with transition metals (iron, manganese, nickel, copper, zinc and lead on the basis of available references and our experimental data. Humic-like substances are most likely ligands in the atmosphere, although this is a poorly characterized material. A number of polycarboxylic acids and hydroxy forms (e.g., citric and tartronic acids effectively complex metals such as copper in atmospheric aerosols. The simple equilibrium model calculations show that the effect of the complexation on the gas–aqueous phase partition of gaseous atmospheric ligands is quite small for the ligands with the high physical Henry’s law constants, e.g., dicarboxylic acids represented by oxalic acid, even if they have high affinity with metal ions. The lower Henry’s law constants of the α-dicarbonyls, such as glyoxal and methylglyoxal, mean that the complexation could lead to profound increases in their partition into the aqueous phase. Despite quantum mechanical arguments for copper–glyoxal complexes, experiments showed no evidence of complexation between either hydrated or unhydrated α-dicarbonyls and the cupric ion. By contrast the β-dicarbonyl, malondialdehyde, has properties that would allow it to partition into atmospheric water via the complexation with metal ions under some conditions.

  4. Mitofilin complexes : conserved organizers of mitochondrial membrane architecture

    NARCIS (Netherlands)

    Zerbes, Ralf M.; van der Klei, Ida J.; Veenhuis, Marten; Pfanner, Nikolaus; van der Laan, Martin; Bohnert, Maria

    2012-01-01

    Mitofilin proteins are crucial organizers of mitochondrial architecture. They are located in the inner mitochondrial membrane and interact with several protein complexes of the outer membrane, thereby generating contact sites between the two membrane systems of mitochondria. Within the inner membran

  5. Photovoltaic effect in organic polymer-iodine complex

    Science.gov (United States)

    Hermann, A. M.; Rembaum, A.

    1967-01-01

    Certain charge transfer complexes formed from organic polymers and iodine generate appreciable voltages at relatively low impedances upon exposure to light. These films show promise in applications requiring chemically and electrically stable films as detectors of optical radiation and as energy converters in photovoltaic cells.

  6. A divergent heritage for complex organics in Isheyevo lithic clasts

    DEFF Research Database (Denmark)

    van Kooten, Elishevah M.M.E.; Nagashima, Kazuhide; Kasama, Takeshi

    2017-01-01

    Primitive meteorites are samples of asteroidal bodies that contain a high proportion of chemically complex organic matter (COM) including prebiotic molecules such as amino acids, which are thought to have been delivered to Earth via impacts during the early history of the Solar System. Thus...

  7. Photochemistry and Astrochemistry: Photochemical Pathways to Interstellar Complex Organic Molecules.

    Science.gov (United States)

    Öberg, Karin I

    2016-09-14

    The interstellar medium is characterized by a rich and diverse chemistry. Many of its complex organic molecules are proposed to form through radical chemistry in icy grain mantles. Radicals form readily when interstellar ices (composed of water and other volatiles) are exposed to UV photons and other sources of dissociative radiation, and if sufficiently mobile the radicals can react to form larger, more complex molecules. The resulting complex organic molecules (COMs) accompany star and planet formation and may eventually seed the origins of life on nascent planets. Experiments of increasing sophistication have demonstrated that known interstellar COMs as well as the prebiotically interesting amino acids can form through ice photochemistry. We review these experiments and discuss the qualitative and quantitative kinetic and mechanistic constraints they have provided. We finally compare the effects of UV radiation with those of three other potential sources of radical production and chemistry in interstellar ices: electrons, ions, and X-rays.

  8. Photochemistry and astrochemistry: photochemical pathways to interstellar complex organic molecules

    CERN Document Server

    Oberg, Karin I

    2016-01-01

    The interstellar medium is characterized by a rich and diverse chemistry. Many of its complex organic molecules are proposed to form through radical chemistry in icy grain mantles. Radicals form readily when interstellar ices (composed of water and other volatiles) are exposed to UV photons and other sources of dissociative radiation, and, if sufficiently mobile, the radicals can react to form larger, more complex molecules. The resulting complex organic molecules (COMs) accompany star and planet formation, and may eventually seed the origins of life on nascent planets. Experiments of increasing sophistication have demonstrated that known interstellar COMs as well as the prebiotically interesting amino acids can form through ice photochemistry. We review these experiments and discuss the qualitative and quantitative kinetic and mechanistic constraints they have provided. We finally compare the effects of UV radiation with those of three other potential sources of radical production and chemistry in interstell...

  9. Measuring the Complexity of Self-Organizing Traffic Lights

    Directory of Open Access Journals (Sweden)

    Darío Zubillaga

    2014-04-01

    Full Text Available We apply measures of complexity, emergence, and self-organization to an urban traffic model for comparing a traditional traffic-light coordination method with a self-organizing method in two scenarios: cyclic boundaries and non-orientable boundaries. We show that the measures are useful to identify and characterize different dynamical phases. It becomes clear that different operation regimes are required for different traffic demands. Thus, not only is traffic a non-stationary problem, requiring controllers to adapt constantly; controllers must also change drastically the complexity of their behavior depending on the demand. Based on our measures and extending Ashby’s law of requisite variety, we can say that the self-organizing method achieves an adaptability level comparable to that of a living system.

  10. Metal flux from hydrothermal vents increased by organic complexation

    Science.gov (United States)

    Sander, Sylvia G.; Koschinsky, Andrea

    2011-03-01

    Hydrothermal vents in the sea floor release large volumes of hot, metal-rich fluids into the deep ocean. Until recently, it was assumed that most of the metal released was incorporated into sulphide or oxide minerals, and that the net flux of most hydrothermally derived metals to the open ocean was negligible. However, mounting evidence suggests that organic compounds bind to and stabilize metals in hydrothermal fluids, increasing trace-metal flux to the global ocean. In situ measurements reveal that hydrothermally derived chromium, copper and iron bind to organic molecules on mixing with sea water. Geochemical model simulations based on data from two hydrothermal vent sites suggest that complexation significantly increases metal flux from hydrothermal systems. According to these simulations, hydrothermal fluids could account for 9% and 14% of the deep-ocean dissolved iron and copper budgets respectively. A similar role for organic complexation can be inferred for the hydrothermal fluxes of other metals, such as manganese and zinc.

  11. Synthesis of single-crystal-like nanoporous carbon membranes and their application in overall water splitting

    KAUST Repository

    Wang, Hong

    2017-01-04

    Nanoporous graphitic carbon membranes with defined chemical composition and pore architecture are novel nanomaterials that are actively pursued. Compared with easy-to-make porous carbon powders that dominate the porous carbon research and applications in energy generation/conversion and environmental remediation, porous carbon membranes are synthetically more challenging though rather appealing from an application perspective due to their structural integrity, interconnectivity and purity. Here we report a simple bottom–up approach to fabricate large-size, freestanding and porous carbon membranes that feature an unusual single-crystal-like graphitic order and hierarchical pore architecture plus favourable nitrogen doping. When loaded with cobalt nanoparticles, such carbon membranes serve as high-performance carbon-based non-noble metal electrocatalyst for overall water splitting.

  12. Complexity and organization in hydrology: A personal view

    Science.gov (United States)

    Bras, Rafael L.

    2015-08-01

    The hydrologic cycle is an exquisitely coordinated and balanced interaction between the atmosphere, the ocean, and the land that controls, among other things, the planet's temperature by moving large quantities of matter and energy. The system is incredibly complex with a myriad of positive and negative feedbacks acting at a variety of scales. Much of what we experience in our natural and altered environments results from these complex interactions. Surprisingly (or maybe not) this complexity many times results in beautifully organized expressions of the hydrologic state that are commonly amenable to fairly simple explanations. This paper illustrates hydrologic complexity and organization in the context of the author's and collaborator's work during the past decades, a lot published in Water Resources Research. Topics include the impact of soil moisture on the atmosphere and vice versa, the impact of deforestation on the Amazon cloud climate and precipitation, the estimation of surface energy and mass fluxes, the self-organization of landscapes and river basins over very long time periods, and the roles of vegetation on landscape evolution.

  13. Nuclear organization of the rock hyrax (Procavia capensis) amygdaloid complex.

    Science.gov (United States)

    Limacher-Burrell, Aude-Marie; Bhagwandin, Adhil; Gravett, Nadine; Maseko, Busisiwe C; Manger, Paul R

    2016-07-01

    The current study details the nuclear organization of the rock hyrax amygdaloid complex using both Nissl and myelin stains, along with a range of immunohistochemical stains. The rock hyrax appears to be the least derived of the Afrotherians, a group with a huge range of body phenotypes, life histories and specialized behaviours, brain sizes, and ecological niches. In this sense, the rock hyrax represents a species where the organization of the amygdaloid complex may be reflective of that in stem Eutherian mammals. Our analysis indicates that the nuclear organization of the rock hyrax amygdaloid complex is indeed very similar to that in other mammals studied, with four major nuclear groupings (the deep or basolateral group; the superficial or cortical-like or corticomedial group; the centromedial group; and the other amygdaloid nuclei) being observed, which is typical of Eutherian mammals. Moreover, each of these groupings is composed of several nuclei, the vast majority of which were readily identified in the rock hyrax. Small nuclei identified in rodents and primates were absent in the superficial and centromedial groups, seemingly involved with olfaction. A novel shell-like nucleus of the accessory basal nuclear cluster was observed in the rock hyrax, again, likely to be involved in olfaction. The current study underlines the conserved nature of nuclear parcellation in the Eutherian mammal amygdaloid complex and indicates that across most species, the flow of information processing related to species-specific affective-laden stimuli and the resultant physiological and behavioural outcomes are likely to be similar across species.

  14. Technetium Chemistry in HLW: Role of Organic Complexants

    Energy Technology Data Exchange (ETDEWEB)

    Hess, Nancy J.; Blanchard, David L. Jr.; Campbell, James A.; Cho, Herman M.; Rai, Dhanpat, Rai; Xia, Yuanxian; Conradson, Steven D.

    2002-06-01

    Technetium complexation with organic compounds in tank waste plays a significant role in the redox chemistry of Tc and the partitioning of Tc between the supernatant and sludge components in waste tanks. These processes need to be understood so that strategies to effectively remove Tc from high-level nuclear waste prior to waste immobilization can be developed and so that longterm consequences of Tc remaining in residual waste after sludge removal can be evaluated. Only limited data on the stability of Tc-organic complexes exists, and even less thermodynamic data on which to develop predictive models of Tc chemical behavior is available. To meet these challenges, we present a research program to study Tc-speciation in actual tank waste using state-of-the-art analytical organic chemistry, separations, and speciation techniques. On the basis of such studies, we will acquire thermodynamic data for the identified Tc-organic complexes over a wide range of chemical conditions in order to develop credible models to predict Tc speciation in tank waste and Tc behavior during waste pretreatment processing and in waste tank residuals.

  15. Tc Chemistry in HLW: Role of Organic Complexants

    Energy Technology Data Exchange (ETDEWEB)

    Hess, Nancy S.; Conradsen, Steven D.

    2003-06-01

    Tc complexation with organic compounds in tank waste plays a significant role in the redox chemistry of Tc and the partitioning of Tc between the supernatant and sludge components in waste tanks. These processes need to be understood so that strategies to effectively remove Tc from high-level nuclear waste prior to waste immobilization can be developed and so that long-term consequences of Tc remaining in residual waste after sludge removal can be evaluated. Only limited data on the stability of Tc-organic complexes exists and even less thermodynamic data on which to develop predictive models of Tc chemical behavior is available. To meet these challenges we are conducting a research program to study to develop thermodynamic data on Tc-organic complexation over a wide range of chemical conditions. We will attempt to characterize Tc-speciation in actual tank waste using state-of-the-art analytical organic chemistry, separations, and speciation techniques to validate our model. On the basis of such studies we will develop credible model of Tc chemistry in HLW that will allow prediction of Tc speciation in tank waste and Tc behavior during waste pretreatment processing and in waste tank residuals.

  16. A divergent heritage for complex organics in Isheyevo lithic clasts

    DEFF Research Database (Denmark)

    van Kooten, Elishevah M.M.E.; Nagashima, Kazuhide; Kasama, Takeshi

    2017-01-01

    enrichments in 15N believed to be of outer Solar System origin. Using transmission electron microscopy (TEM-EELS) and in situ isotope analyses (SIMS and NanoSIMS), we report on the structure of the organic matter as well as the bulk H and N isotope composition of Isheyevo lithic clasts. These data...... hydrated veins composed of phyllosilicates, magnetite and globular and diffuse organic matter. Extensively hydrated clasts (H) are thoroughly hydrated and contain Fe-sulfides, sometimes clustered with organic matter, as well as magnetite and carbonates embedded in a phyllosilicate matrix. The A......Primitive meteorites are samples of asteroidal bodies that contain a high proportion of chemically complex organic matter (COM) including prebiotic molecules such as amino acids, which are thought to have been delivered to Earth via impacts during the early history of the Solar System. Thus...

  17. Complexity in plasma: From self-organization to geodynamo

    Energy Technology Data Exchange (ETDEWEB)

    Sato, T. [Theory and Computer Simulation Center, National Institute for Fusion Science, Nagoya 464-01 (Japan); the Complexity Simulation Group

    1996-05-01

    A central theme of {open_quote}{open_quote}Complexity{close_quote}{close_quote} is the question of the creation of ordered structure in nature (self-organization). The assertion is made that self-organization is governed by three key processes, i.e., energy pumping, entropy expulsion and nonlinearity. Extensive efforts have been done to confirm this assertion through computer simulations of plasmas. A system exhibits markedly different features in self-organization, depending on whether the energy pumping is instantaneous or continuous, or whether the produced entropy is expulsed or reserved. The nonlinearity acts to bring a nonequilibrium state into a bifurcation, thus resulting in a new structure along with an anomalous entropy production. As a practical application of our grand view of self-organization a preferential generation of a dipole magnetic field is successfully demonstrated. {copyright} {ital 1996 American Institute of Physics.}

  18. A Complex Organic Slushy Bathing Low-Mass Protostars

    Science.gov (United States)

    Drozdovskaya, Maria; Walsh, Catherine; Visser, Ruud; Harsono, Daniel; van Dishoeck, Ewine

    2015-08-01

    Complex organic molecules are ubiquitous companions of young forming stars. They were first observed in hot cores surrounding high-mass protostars [e.g., 1], but have since also been detected in the environs of several low-mass counterparts [e.g., 2]. Recent studies have shown that colder envelopes and positions with impinging outflows may also glow with emission from complex organic species [e.g., 3, 4]. For this meeting, I would like to present physicochemical modeling results on the synthesis of complex organics in an envelope-cavity system that is subject to non-thermal processing. This includes wavelength-dependent radiative transfer calculations with RADMC [5] and a comprehensive gas-grain chemical network [6]. The results show that the morphology of such a system delineates three distinct regions: the cavity wall layer with time-dependent and species-variant enhancements; a torus rich in complex organic ices, but not reflected in gas-phase abundances; and the remaining outer envelope abundant in simpler solid and gaseous molecules. Within the adopted paradigm, complex organic molecules are demonstrated to have unique lifetimes and be grouped into early and late species [7]. Key chemical processes for forming and destroying complex organic molecules will be discussed. In addition, the results of adding newly experimentally verified routes [8] into the existing chemical networks will be shown.[1] Blake G. A., Sutton E. C., Masson C. R., Phillips T. G., 1987, ApJ, 315, 621[2] Jørgensen J. K., Favre C., Bisschop S. E., Bourke T. L., van Dishoeck E. F., Schmalzl M., 2012, ApJ, 757, L4[3] Arce H. G., Santiago-García J., Jørgensen J. K., Tafalla M., Bachiller R., 2008, ApJ, 681, L21[4] Öberg K. I., Bottinelli S., Jørgensen J. K., van Dishoeck E. F., 2010, ApJ, 716, 825[5] Dullemond C. P., Dominik C., 2004, A&A, 417, 159[6] Walsh C., Millar T. J., Nomura H., Herbst E., Widicus Weaver S., Aikawa Y., Laas J. C., Vasyunin A. I., 2014, A&A, 563, A33[7] Drozdovskaya

  19. Fabrication and characterization of size-controlled single-crystal-like PZT nanofibers by sol–gel based electrospinning

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Juan; Gao, Qian; He, Haiyan; Li, Xiang, E-mail: xiang.li@zju.edu.cn; Ren, Zhaohui; Liu, Yong; Shen, Ge; Xu, Gang; Zhang, Xiwen; Han, Gaorong, E-mail: hgr@zju.edu.cn

    2013-12-05

    Highlights: •Single-crystal-like PZT nanofibers were fabricated by electrospinning and calcination. •Fiber diameter was precisely controlled by solution viscosity and electrospinning parameters. •Pyrolysis is a key factor for fabrication of single-crystal-like structure. -- Abstract: Size-controlled single-crystal-like lead zirconate titanate (PbZr{sub 0.52}Ti{sub 0.48}O{sub 3}, PZT) ceramic fibers have been successfully prepared by sol–gel based electrospinning and subsequent calcination process, and their morphology, crystal structure have been characterized at nanoscale. The fiber diameter can be precisely controlled from ∼50 to 540 nm by varying the PVP concentration and electrospinning process parameters. The crystal structure of the nanofibers pyrolyzed at 400 °C for 0.5 h and calcined at 650 °C for 2 h is proved to be single-crystal-like tetragonal perovskite phase. A formation mechanism is also discussed based on the thermal decomposition process, effect of the calcination and pyrolysis procedure, using the thermogravimetry/differential scanning caborimetry (TG/DSC), X-ray diffraction (XRD) and transmission electron microscopy (TEM). It is found that the pyrolysis procedure is a critical factor for the fabrication of single-crystal-like structure PZT nanofibers using electrospinning.

  20. Emergence of complex chemistry on an organic monolayer.

    Science.gov (United States)

    Prins, Leonard J

    2015-07-21

    In many origin-of-life scenarios, inorganic materials, such as FeS or mineral clays, play an important role owing to their ability to concentrate and select small organic molecules on their surface and facilitate their chemical transformations into new molecules. However, considering that life is made up of organic matter, at a certain stage during the evolution the role of the inorganic material must have been taken over by organic molecules. How this exactly happened is unclear, and, indeed, a big gap separates the rudimentary level of organization involving inorganic materials and the complex organization of cells, which are the building blocks of life. Over the past years, we have extensively studied the interaction of small molecules with monolayer-protected gold nanoparticles (Au NPs) for the purpose of developing innovative sensing and catalytic systems. During the course of these studies, we realized that the functional role of this system is very similar to that typically attributed to inorganic surfaces in the early stages of life, with the important being difference that the functional properties (molecular recognition, catalysis, signaling, adaptation) originate entirely from the organic monolayer rather than the inorganic support. This led us to the proposition that this system may serve as a model that illustrates how the important role of inorganic surfaces in dictating chemical processes in the early stages of life may have been taken over by organic matter. Here, we reframe our previously obtained results in the context of the origin-of-life question. The following functional roles of Au NPs will be discussed: the ability to concentrate small molecules and create different local populations, the ability to catalyze the chemical transformation of bound molecules, and, finally, the ability to install rudimentary signaling pathways and display primitive adaptive behavior. In particular, we will show that many of the functional properties of the system

  1. The organization of strong links in complex networks

    Science.gov (United States)

    Pajevic, Sinisa; Plenz, Dietmar

    2012-05-01

    Many complex systems reveal a small-world topology, which allows simultaneously local and global efficiency in the interaction between system constituents. Here, we report the results of a comprehensive study that investigates the relation between the clustering properties in such small-world systems and the strength of interactions between its constituents, quantified by the link weight. For brain, gene, social and language networks, we find a local integrative weight organization in which strong links preferentially occur between nodes with overlapping neighbourhoods; we relate this to global robustness of the clustering to removal of the weakest links. Furthermore, we identify local learning rules that establish integrative networks and improve network traffic in response to past traffic failures. Our findings identify a general organization for complex systems that strikes a balance between efficient local and global communication in their strong interactions, while allowing for robust, exploratory development of weak interactions.

  2. The Organization of Strong Links in Complex Networks

    CERN Document Server

    Pajevic, Sinisa

    2011-01-01

    A small-world topology characterizes many complex systems including the structural and functional organization of brain networks. The topology allows simultaneously for local and global efficiency in the interaction of the system constituents. However, it ignores the gradations of interactions commonly quantified by the link weight, w. Here, we identify an integrative weight organization for brain, gene, social, and language networks, in which strong links preferentially occur between nodes with overlapping neighbourhoods and the small-world properties are robust to removal of a large fraction of the weakest links. We also determine local learning rules that dynamically establish such weight organization in response to past activity and capacity demands, while preserving efficient local and global communication.

  3. Cooperation between International Organizations in Complex Emergencies in Eastern Africa

    DEFF Research Database (Denmark)

    Pradhan-Blach, Flemming; Schaub Jr, Gary John; LeRiche, Matthew

    This report addresses the challenges of cooperation between international organizations in complex emergencies in fragile states of East Africa. An expert seminar was conducted on the basis of a paper on the subject to discuss problems, challenges, and possible solutions. Denmark and the rest...... of the international community often face the problem of poor coordination, lack of cooperation, and de-confliction of assistance in such situations. Countries and organizations are aware of these problems and have undertaken efforts to resolve them, but it remains insufficient. Attempts to better coordinate have been...... made at various levels—between governments, between organizations, and between local actors. Some improvements in effectiveness are being observed. Since 2005, Danish development policy has tried to take these efforts into account, as do policies that are still under development. The necessity...

  4. Cooperation between International Organizations in Complex Emergencies in Eastern Africa

    DEFF Research Database (Denmark)

    Pradhan-Blach, Flemming; Schaub Jr, Gary John; LeRiche, Matthew

    This report addresses the challenges of cooperation between international organizations in complex emergencies in fragile states of East Africa. An expert seminar was conducted on the basis of a paper on the subject to discuss problems, challenges, and possible solutions. Denmark and the rest...... of the international community often face the problem of poor coordination, lack of cooperation, and de-confliction of assistance in such situations. Countries and organizations are aware of these problems and have undertaken efforts to resolve them, but it remains insufficient. Attempts to better coordinate have been...... made at various levels—between governments, between organizations, and between local actors. Some improvements in effectiveness are being observed. Since 2005, Danish development policy has tried to take these efforts into account, as do policies that are still under development. The necessity...

  5. Self-organized topology of recurrence-based complex networks.

    Science.gov (United States)

    Yang, Hui; Liu, Gang

    2013-12-01

    With the rapid technological advancement, network is almost everywhere in our daily life. Network theory leads to a new way to investigate the dynamics of complex systems. As a result, many methods are proposed to construct a network from nonlinear time series, including the partition of state space, visibility graph, nearest neighbors, and recurrence approaches. However, most previous works focus on deriving the adjacency matrix to represent the complex network and extract new network-theoretic measures. Although the adjacency matrix provides connectivity information of nodes and edges, the network geometry can take variable forms. The research objective of this article is to develop a self-organizing approach to derive the steady geometric structure of a network from the adjacency matrix. We simulate the recurrence network as a physical system by treating the edges as springs and the nodes as electrically charged particles. Then, force-directed algorithms are developed to automatically organize the network geometry by minimizing the system energy. Further, a set of experiments were designed to investigate important factors (i.e., dynamical systems, network construction methods, force-model parameter, nonhomogeneous distribution) affecting this self-organizing process. Interestingly, experimental results show that the self-organized geometry recovers the attractor of a dynamical system that produced the adjacency matrix. This research addresses a question, i.e., "what is the self-organizing geometry of a recurrence network?" and provides a new way to reproduce the attractor or time series from the recurrence plot. As a result, novel network-theoretic measures (e.g., average path length and proximity ratio) can be achieved based on actual node-to-node distances in the self-organized network topology. The paper brings the physical models into the recurrence analysis and discloses the spatial geometry of recurrence networks.

  6. Self-organized topology of recurrence-based complex networks

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Hui, E-mail: huiyang@usf.edu; Liu, Gang [Complex Systems Monitoring, Modeling and Analysis Laboratory, University of South Florida, Tampa, Florida 33620 (United States)

    2013-12-15

    With the rapid technological advancement, network is almost everywhere in our daily life. Network theory leads to a new way to investigate the dynamics of complex systems. As a result, many methods are proposed to construct a network from nonlinear time series, including the partition of state space, visibility graph, nearest neighbors, and recurrence approaches. However, most previous works focus on deriving the adjacency matrix to represent the complex network and extract new network-theoretic measures. Although the adjacency matrix provides connectivity information of nodes and edges, the network geometry can take variable forms. The research objective of this article is to develop a self-organizing approach to derive the steady geometric structure of a network from the adjacency matrix. We simulate the recurrence network as a physical system by treating the edges as springs and the nodes as electrically charged particles. Then, force-directed algorithms are developed to automatically organize the network geometry by minimizing the system energy. Further, a set of experiments were designed to investigate important factors (i.e., dynamical systems, network construction methods, force-model parameter, nonhomogeneous distribution) affecting this self-organizing process. Interestingly, experimental results show that the self-organized geometry recovers the attractor of a dynamical system that produced the adjacency matrix. This research addresses a question, i.e., “what is the self-organizing geometry of a recurrence network?” and provides a new way to reproduce the attractor or time series from the recurrence plot. As a result, novel network-theoretic measures (e.g., average path length and proximity ratio) can be achieved based on actual node-to-node distances in the self-organized network topology. The paper brings the physical models into the recurrence analysis and discloses the spatial geometry of recurrence networks.

  7. Complex organic molecules in organic-poor massive young stellar objects

    CERN Document Server

    Fayolle, Edith C; Garrod, Robin T; van Dishoeck, Ewine F; Bisschop, Suzanne E

    2015-01-01

    Massive young stellar objects (MYSOs) with hot cores are classic sources of complex organic molecules. The origins of these molecules in such sources, as well as the small- and large-scale differentiation between nitrogen- and oxygen-bearing complex species, are poorly understood. We aim to use complex molecule abundances toward a chemically less explored class of MYSOs with weak hot organic emission lines to constrain the impact of hot molecular cores and initial ice conditions on the chemical composition toward MYSOs. We use the IRAM 30m and the Submillimeter Array to search for complex organic molecules over 8-16 GHz in the 1~mm atmospheric window toward three MYSOs with known ice abundances, but without luminous molecular hot cores. Complex molecules are detected toward all three sources at comparable abundances with respect to CH$_3$OH to classical hot core sources. The relative importance of CH$_3$CHO, CH$_3$CCH, CH$_3$OCH$_3$, CH$_3$CN, and HNCO differ between the organic-poor MYSOs and hot cores, howe...

  8. Modeling Complex Organic Molecules in dense regions: Eley-Rideal and complex induced reaction

    CERN Document Server

    Ruaud, M; Hickson, K M; Gratier, P; Hersant, F; Wakelam, V

    2014-01-01

    Recent observations have revealed the existence of Complex Organic Molecules (COMs) in cold dense cores and prestellar cores. The presence of these molecules in such cold conditions is not well understood and remains a matter of debate since the previously proposed "warm- up" scenario cannot explain these observations. In this article, we study the effect of Eley- Rideal and complex induced reaction mechanisms of gas-phase carbon atoms with the main ice components of dust grains on the formation of COMs in cold and dense regions. Based on recent experiments we use a low value for the chemical desorption efficiency (which was previously invoked to explain the observed COM abundances). We show that our introduced mechanisms are efficient enough to produce a large amount of complex organic molecules in the gas-phase at temperatures as low as 10K.

  9. Mycobacterium tuberculosis complex mycobacteria as amoeba-resistant organisms.

    Directory of Open Access Journals (Sweden)

    Felix Mba Medie

    Full Text Available BACKGROUND: Most environmental non-tuberculous mycobacteria have been demonstrated to invade amoebal trophozoites and cysts, but such relationships are largely unknown for members of the Mycobacterium tuberculosis complex. An environmental source has been proposed for the animal Mycobacterium bovis and the human Mycobacterium canettii. METHODOLOGY/PRINCIPAL FINDINGS: Using optic and electron microscopy and co-culture methods, we observed that 89±0.6% of M. canettii, 12.4±0.3% of M. tuberculosis, 11.7±2% of M. bovis and 11.2±0.5% of Mycobacterium avium control organisms were phagocytized by Acanthamoeba polyphaga, a ratio significantly higher for M. canettii (P = 0.03, correlating with the significantly larger size of M. canetti organisms (P = 0.035. The percentage of intraamoebal mycobacteria surviving into cytoplasmic vacuoles was 32±2% for M. canettii, 26±1% for M. tuberculosis, 28±2% for M. bovis and 36±2% for M. avium (P = 0.57. M. tuberculosis, M. bovis and M. avium mycobacteria were further entrapped within the double wall of <1% amoebal cysts, but no M. canettii organisms were observed in amoebal cysts. The number of intracystic mycobacteria was significantly (P = 10(-6 higher for M. avium than for the M. tuberculosis complex, and sub-culturing intracystic mycobacteria yielded significantly more (P = 0.02 M. avium organisms (34×10(4 CFU/mL than M. tuberculosis (42×10(1 CFU/mL and M. bovis (35×10(1 CFU/mL in the presence of a washing fluid free of mycobacteria. Mycobacteria survived in the cysts for up to 18 days and cysts protected M. tuberculosis organisms against mycobactericidal 5 mg/mL streptomycin and 2.5% glutaraldehyde. CONCLUSIONS/SIGNIFICANCE: These data indicate that M. tuberculosis complex organisms are amoeba-resistant organisms, as previously demonstrated for non-tuberculous, environmental mycobacteria. Intercystic survival of tuberculous mycobacteria, except for M. canettii, protect them

  10. An efficient link prediction index for complex military organization

    Science.gov (United States)

    Fan, Changjun; Liu, Zhong; Lu, Xin; Xiu, Baoxin; Chen, Qing

    2017-03-01

    Quality of information is crucial for decision-makers to judge the battlefield situations and design the best operation plans, however, real intelligence data are often incomplete and noisy, where missing links prediction methods and spurious links identification algorithms can be applied, if modeling the complex military organization as the complex network where nodes represent functional units and edges denote communication links. Traditional link prediction methods usually work well on homogeneous networks, but few for the heterogeneous ones. And the military network is a typical heterogeneous network, where there are different types of nodes and edges. In this paper, we proposed a combined link prediction index considering both the nodes' types effects and nodes' structural similarities, and demonstrated that it is remarkably superior to all the 25 existing similarity-based methods both in predicting missing links and identifying spurious links in a real military network data; we also investigated the algorithms' robustness under noisy environment, and found the mistaken information is more misleading than incomplete information in military areas, which is different from that in recommendation systems, and our method maintained the best performance under the condition of small noise. Since the real military network intelligence must be carefully checked at first due to its significance, and link prediction methods are just adopted to purify the network with the left latent noise, the method proposed here is applicable in real situations. In the end, as the FINC-E model, here used to describe the complex military organizations, is also suitable to many other social organizations, such as criminal networks, business organizations, etc., thus our method has its prospects in these areas for many tasks, like detecting the underground relationships between terrorists, predicting the potential business markets for decision-makers, and so on.

  11. Titanium complex formation of organic ligands in titania gels.

    Science.gov (United States)

    Nishikiori, Hiromasa; Todoroki, Kenta; Setiawan, Rudi Agus; Teshima, Katsuya; Fujii, Tsuneo; Satozono, Hiroshi

    2015-01-27

    Thin films of organic ligand-dispersing titania gels were prepared from titanium alkoxide sols containing ligand molecules by steam treatment without heating. The formation of the ligand-titanium complex and the photoinduced electron transfer process in the systems were investigated by photoelectrochemical measurements. The complex was formed between the 8-hydroxyquinoline (HQ) and titanium species, such as the titanium ion, on the titania nanoparticle surface through the oxygen and nitrogen atoms of the quinolate. A photocurrent was observed in the electrodes containing the complex due to the electron injection from the LUMO of the complex into the titania conduction band. A bidentate ligand, 2,3-dihydroxynaphthalene (DHN), formed the complex on the titania surface through dehydration between its two hydroxyl groups of DHN and two TiOH groups of the titania. The electron injection from the HOMO of DHN to the titania conduction band was observed during light irradiation. This direct electron injection was more effective than the two-step electron injection.

  12. Influence of the organic complex concentration on adsorption of herbicide in organic modified montmorillonite

    Science.gov (United States)

    Kaludjerovic, Lazar; Tomic, Zorica; Djurovic, Rada; Milosevic, Maja

    2016-04-01

    Pesticides are recognized as an important source of potential pollution to soil and water due to their mobility and degradation in soils. Results presented in this paper show impact of the organic complex concentration on the adsorption of herbicides (acetochlor) at the surface of the organic modified montmorillonite. In this work, natural montmorillonite from Bogovina, located near Boljevac municipality, was used for organic modification. Cation-exchange capacity of this montmorillonite was determined by extraction with ammonium acetate (86 mmol/100g of clay). Montmorillonite have been modified first with NaCl and than with two organic complexes, hexadecyltrimethylammonium bromide (HDTMA) and phenyltrimethylammonium chloride (PTMA). For both organic complexes, three saturation concentrations were selected for monitoring of the herbicide adsorption (43 mmol/100g of clay (0.5 CEC), 86 mmol/100g of clay (1 CEC) and 129 mmol/100g of clay (1.5 CEC)). Changes in the properties of the inorganic and organic bentonite have been examined using the X-ray powder diffraction (XRPD) and batch equilibrium method. Increase in basal spacing (d) of montmorillonites saturated with 1.5 CEC of organic cation indicate that sorption of PTMA and HDTMA can exceed the saturation of 1 CEC. Both organic montmorillonites have shown higher uptake of the herbicide, compared to the inorganic montmorillonite. Comparing the values Freundlich coefficients in batch equilibrium method, (presented in the form of log Kf and 1/n), it can be seen that the sorption decreases in the series: 0.5CEC> 1CEC> 1.5CEC> NaM, for both organic montmorillonites.

  13. The Evolution of Biological Complexity in Digital Organisms

    Science.gov (United States)

    Ofria, Charles

    2013-03-01

    When Darwin first proposed his theory of evolution by natural selection, he realized that it had a problem explaining the origins of traits of ``extreme perfection and complication'' such as the vertebrate eye. Critics of Darwin's theory have latched onto this perceived flaw as a proof that Darwinian evolution is impossible. In anticipation of this issue, Darwin described the perfect data needed to understand this process, but lamented that such data are ``scarcely ever possible'' to obtain. In this talk, I will discuss research where we use populations of digital organisms (self-replicating and evolving computer programs) to elucidate the genetic and evolutionary processes by which new, highly-complex traits arise, drawing inspiration directly from Darwin's wistful thinking and hypotheses. During the process of evolution in these fully-transparent computational environments we can measure the incorporation of new information into the genome, a process akin to a natural Maxwell's Demon, and identify the original source of any such information. We show that, as Darwin predicted, much of the information used to encode a complex trait was already in the genome as part of simpler evolved traits, and that many routes must be possible for a new complex trait to have a high probability of successfully evolving. In even more extreme examples of the evolution of complexity, we are now using these same principles to examine the evolutionary dynamics the drive major transitions in evolution; that is transitions to higher-levels of organization, which are some of the most complex evolutionary events to occur in nature. Finally, I will explore some of the implications of this research to other aspects of evolutionary biology and as well as ways that these evolutionary principles can be applied toward solving computational and engineering problems.

  14. Organic Nitrates: A Complex Family of Atmospheric Trace Constituents

    Science.gov (United States)

    Ballschmiter, K.; Fischer, R. G.; Grünert, A.; Kastler, J.; Schneider, M.; Woidich, S.

    2003-04-01

    Biogenic and geogenic hydrocarbons are the precursors of organic nitrates that are formed as tropospheric photo-oxidation products in the presence of NOx. Air chemistry leads to a very complex pattern of nitric acid esters: alkyl nitrates, aryl-alkyl nitrates, and bifunctional nitrates like alkyl dinitrates, hydroxy alkyl nitrates and carbonyl alkyl nitrates. We have analyzed the pattern of organic nitrates in air samples after adsorption/thermal desorption (low volume sampling-LVS) or adsorption/solvent desorption (high volume sampling-HVS) by capillary gas chromatography with electron capture (ECD) and mass spectrometric detection (MSD) using air aliquotes of 100 up to 3000 liters on column. The complexity of the organic nitrates found in air requires a group pre-separation by normal phase liquid chromatography. A detection limit per compound of 0.005 ppt(v) is achieved by our approach. We have synthesized a broad spectrum of organic nitrates as reference compounds. Air samples were taken from central Europe, the US West (Utah, Nevada, California), and the North- and South Atlantic including Antarctica. Levels and patterns of the regional and global occurrence of the various groups of C1-C12 organic nitrates including dinitrates and hydroxy nitrates and nitrates of isoprene (2-methylbutadiene) are presented. Werner G., J. Kastler, R. Looser, K. Ballschmiter: "Organic nitrates of isoprene as atmospheric trace compounds" Angewandte Chemie - International Edition (1999) 38: 1634-1637. Woidich S., O. Froescheis, O. Luxenhofer, K. Ballschmiter: "EI- and NCI-mass spectrometry of arylalkyl nitrates and their occurrence in urban air" Fresenius J. Anal. Chem. (1999) 364 : 91-99. Kastler, J; Jarman, W; Ballschmiter, K.: "Multifunctional organic nitrates as constituents in European and US urban photo-smog" Fresenius J. Anal. Chem. (2000) 368:244-249. Schneider M., K. Ballschmiter: "C3-C14 alkyl nitrates in remote South Atlantic air" Chemosphere (1999) 38: 233-244. Fischer

  15. Coherent Terahertz Radiation from Multiple Electron Beams Excitation within a Plasmonic Crystal-like structure

    Science.gov (United States)

    Zhang, Yaxin; Zhou, Yucong; Gang, Yin; Jiang, Guili; Yang, Ziqiang

    2017-01-01

    Coherent terahertz radiation from multiple electron beams excitation within a plasmonic crystal-like structure (a three-dimensional holes array) which is composed of multiple stacked layers with 3 × 3 subwavelength holes array has been proposed in this paper. It has been found that in the structure the electromagnetic fields in each hole can be coupled with one another to construct a composite mode with strong field intensity. Therefore, the multiple electron beams injection can excite and efficiently interact with such mode. Meanwhile, the coupling among the electron beams is taken place during the interaction so that a very strong coherent terahertz radiation with high electron conversion efficiency can be generated. Furthermore, due to the coupling, the starting current density of this mechanism is much lower than that of traditional electron beam-driven terahertz sources. This multi-beam radiation system may provide a favorable way to combine photonics structure with electronics excitation to generate middle, high power terahertz radiation.

  16. UV and VUV ionization of organic molecules, clusters and complexes

    CERN Document Server

    Marksteiner, M; Sclafani, M; Ulbricht, H; Arndt, M

    2014-01-01

    The generation of organic particle beams is studied in combination with photoionization using uv radiation at 266 nm and vuv light at 157 nm. Single-photon ionization with pulsed vuv light turns out to be sensitive enough to detect various large neutral biomolecular complexes ranging from metal-amino acid complexes to nucleotide clusters and aggregates of polypeptides. Different biomolecular clusters are shown to exhibit rather specific binding characteristics with regard to the various metals that are co-desorbed in the source. We also find that the ion signal of gramicidin can be increased by a factor of fifteen when the photon energy is increased from 4.66 eV to 7.9 eV.

  17. Predicting Complex Organic Molecule Emission from TW Hya

    Science.gov (United States)

    Vissapragada, Shreyas; Walsh, Catherine

    2017-01-01

    The Atacama Large Millimeter/submillimeter Array (ALMA) has significantly increased our ability to observe the rich chemical inventory of star and planet formation. ALMA has recently been used to detect CH3OH (methanol) and CH3CN (methyl cyanide) in protoplanetary disks; these molecules may be vital indicators of the complex organic ice reservoir in the comet-forming zone. We have constructed a physiochemical model of TW Hya, a well-studied protoplanetary disk, to explore the different formation mechanisms of complex ices. By running our model through a radiative transfer code and convolving with beam sizes appropriate for ALMA, we have obtained synthetic observations of methanol and methyl cyanide. Here, we compare and comment on these synthetic observations, and provide astrochemical justification for their spatial distributions.

  18. UV and VUV ionization of organic molecules, clusters, and complexes.

    Science.gov (United States)

    Marksteiner, Markus; Haslinger, Philipp; Sclafani, Michele; Ulbricht, Hendrik; Arndt, Markus

    2009-09-17

    The generation of organic particle beams is studied in combination with photoionization using UV radiation at 266 nm and vacuum ultraviolet (VUV) light at 157 nm. Single-photon ionization with pulsed VUV light turns out to be sensitive enough to detect various large neutral biomolecular complexes ranging from metal-amino acid complexes to nucleotide clusters and aggregates of polypeptides. Different biomolecular clusters are shown to exhibit rather specific binding characteristics with regard to the various metals that are codesorbed in the source. We also find that the ion signal of gramicidin can be increased by a factor of 15 when the photon energy is increased from 4.66 to 7.9 eV.

  19. Experimental econophysics: Complexity, self-organization, and emergent properties

    Science.gov (United States)

    Huang, J. P.

    2015-03-01

    Experimental econophysics is concerned with statistical physics of humans in the laboratory, and it is based on controlled human experiments developed by physicists to study some problems related to economics or finance. It relies on controlled human experiments in the laboratory together with agent-based modeling (for computer simulations and/or analytical theory), with an attempt to reveal the general cause-effect relationship between specific conditions and emergent properties of real economic/financial markets (a kind of complex adaptive systems). Here I review the latest progress in the field, namely, stylized facts, herd behavior, contrarian behavior, spontaneous cooperation, partial information, and risk management. Also, I highlight the connections between such progress and other topics of traditional statistical physics. The main theme of the review is to show diverse emergent properties of the laboratory markets, originating from self-organization due to the nonlinear interactions among heterogeneous humans or agents (complexity).

  20. Deciphering the global organization of clustering in real complex networks

    CERN Document Server

    Colomer-de-Simon, Pol; Beiro, Mariano G; Alvarez-Hamelin, J Ignacio; Boguna, Marian

    2013-01-01

    We uncover the global organization of clustering in real complex networks. As it happens with other fundamental properties of networks such as the degree distribution, we find that real networks are neither completely random nor ordered with respect to clustering, although they tend to be closer to maximally random architectures. We reach this conclusion by comparing the global structure of clustering in real networks with that in maximally random and in maximally ordered clustered graphs. The former are produced with an exponential random graph model that maintains correlations among adjacent edges at the minimum needed to conform with the expected clustering spectrum; the later with a random model that arranges triangles in cliques inducing highly ordered structures. To compare the global organization of clustering in real and model networks, we compute $m$-core landscapes, where the $m$-core is defined, akin to the $k$-core, as the maximal subgraph with edges participating at least in $m$ triangles. This p...

  1. Electroreception and magnetoreception in simple and complex organisms.

    Science.gov (United States)

    Tenforde, T S

    1989-01-01

    A considerable body of evidence now indicates that electromagnetic and geomagnetic detection systems exist in both simple, unicellular organisms and in more complex species such as avians, bees, and marine animals. A major challenge that faces researchers in this field is the identification of physiological mechanisms through which the detection of weak fields provides significant somatosensory cues for direction finding, foraging, and predation. Many of the anatomical, physiological, and biophysical approaches that are being taken in studies of this nature are described in the series of review articles that appear in this issue of Bioelectromagnetics.

  2. Selfish cellular networks and the evolution of complex organisms.

    Science.gov (United States)

    Kourilsky, Philippe

    2012-03-01

    Human gametogenesis takes years and involves many cellular divisions, particularly in males. Consequently, gametogenesis provides the opportunity to acquire multiple de novo mutations. A significant portion of these is likely to impact the cellular networks linking genes, proteins, RNA and metabolites, which constitute the functional units of cells. A wealth of literature shows that these individual cellular networks are complex, robust and evolvable. To some extent, they are able to monitor their own performance, and display sufficient autonomy to be termed "selfish". Their robustness is linked to quality control mechanisms which are embedded in and act upon the individual networks, thereby providing a basis for selection during gametogenesis. These selective processes are equally likely to affect cellular functions that are not gamete-specific, and the evolution of the most complex organisms, including man, is therefore likely to occur via two pathways: essential housekeeping functions would be regulated and evolve during gametogenesis within the parents before being transmitted to their progeny, while classical selection would operate on other traits of the organisms that shape their fitness with respect to the environment.

  3. Social behavior of bacteria: from physics to complex organization

    Science.gov (United States)

    Ben-Jacob, E.

    2008-10-01

    I describe how bacteria develop complex colonial patterns by utilizing intricate communication capabilities, such as quorum sensing, chemotactic signaling and exchange of genetic information (plasmids) Bacteria do not store genetically all the information required for generating the patterns for all possible environments. Instead, additional information is cooperatively generated as required for the colonial organization to proceed. Each bacterium is, by itself, a biotic autonomous system with its own internal cellular informatics capabilities (storage, processing and assessments of information). These afford the cell certain plasticity to select its response to biochemical messages it receives, including self-alteration and broadcasting messages to initiate alterations in other bacteria. Hence, new features can collectively emerge during self-organization from the intra-cellular level to the whole colony. Collectively bacteria store information, perform decision make decisions (e.g. to sporulate) and even learn from past experience (e.g. exposure to antibiotics)-features we begin to associate with bacterial social behavior and even rudimentary intelligence. I also take Schrdinger’s’ “feeding on negative entropy” criteria further and propose that, in addition organisms have to extract latent information embedded in the environment. By latent information we refer to the non-arbitrary spatio-temporal patterns of regularities and variations that characterize the environmental dynamics. In other words, bacteria must be able to sense the environment and perform internal information processing for thriving on latent information embedded in the complexity of their environment. I then propose that by acting together, bacteria can perform this most elementary cognitive function more efficiently as can be illustrated by their cooperative behavior.

  4. Complex organic molecules in protostellar environments in the SKA era

    CERN Document Server

    Codella, C; Fontani, F; Jiménez-Serra, I; Caselli, P; Ceccarelli, C; Palumbo, M E; López-Sepulcre, A; Beltrán, M T; Lefloch, B; Brucato, J R; Viti, S; Testi, L

    2014-01-01

    Molecular complexity builds up at each step of the Sun-like star formation process, starting from simple molecules and ending up in large polyatomic species. Complex organic molecules (COMs; such as methyl formate, HCOOCH$_3$, dymethyl ether, CH$_3$OCH$_3$, formamide, NH$_2$CHO, or glycoaldehyde, HCOCH$_2$OH) are formed in all the components of the star formation recipe (e.g. pre-stellar cores, hot-corinos, circumstellar disks, shocks induced by fast jets), due to ice grain mantle sublimation or sputtering as well as gas-phase reactions. Understanding in great detail the involved processes is likely the only way to predict the ultimate molecular complexity reached in the ISM, as the detection of large molecules is increasingly more difficult with the increase of the number of atoms constituting them. Thanks to the recent spectacular progress of astronomical observations, due to the Herschel (sub-mm and IR), IRAM and SMA (mm and sub-mm), and NRAO (cm) telescopes, an enormous activity is being developed in the ...

  5. Growth, collapse, and self-organized criticality in complex networks

    Science.gov (United States)

    Wang, Yafeng; Fan, Huawei; Lin, Weijie; Lai, Ying-Cheng; Wang, Xingang

    2016-04-01

    Network growth is ubiquitous in nature (e.g., biological networks) and technological systems (e.g., modern infrastructures). To understand how certain dynamical behaviors can or cannot persist as the underlying network grows is a problem of increasing importance in complex dynamical systems as well as sustainability science and engineering. We address the question of whether a complex network of nonlinear oscillators can maintain its synchronization stability as it expands. We find that a large scale avalanche over the entire network can be triggered in the sense that the individual nodal dynamics diverges from the synchronous state in a cascading manner within a relatively short time period. In particular, after an initial stage of linear growth, the network typically evolves into a critical state where the addition of a single new node can cause a group of nodes to lose synchronization, leading to synchronization collapse for the entire network. A statistical analysis reveals that the collapse size is approximately algebraically distributed, indicating the emergence of self-organized criticality. We demonstrate the generality of the phenomenon of synchronization collapse using a variety of complex network models, and uncover the underlying dynamical mechanism through an eigenvector analysis.

  6. Growth, collapse, and self-organized criticality in complex networks

    Science.gov (United States)

    Wang, Yafeng; Fan, Huawei; Lin, Weijie; Lai, Ying-Cheng; Wang, Xingang

    2016-01-01

    Network growth is ubiquitous in nature (e.g., biological networks) and technological systems (e.g., modern infrastructures). To understand how certain dynamical behaviors can or cannot persist as the underlying network grows is a problem of increasing importance in complex dynamical systems as well as sustainability science and engineering. We address the question of whether a complex network of nonlinear oscillators can maintain its synchronization stability as it expands. We find that a large scale avalanche over the entire network can be triggered in the sense that the individual nodal dynamics diverges from the synchronous state in a cascading manner within a relatively short time period. In particular, after an initial stage of linear growth, the network typically evolves into a critical state where the addition of a single new node can cause a group of nodes to lose synchronization, leading to synchronization collapse for the entire network. A statistical analysis reveals that the collapse size is approximately algebraically distributed, indicating the emergence of self-organized criticality. We demonstrate the generality of the phenomenon of synchronization collapse using a variety of complex network models, and uncover the underlying dynamical mechanism through an eigenvector analysis. PMID:27079515

  7. COMPLEX SYSTEM SELF-ORGANIZATION AND BOUNDARY OF ITS PERCEPTION

    Directory of Open Access Journals (Sweden)

    DUBROV Ju. I.

    2016-04-01

    Full Text Available Stipulations. The term “complex system” (CS is rather frequently utilized, therefore, we will take an effort to give a detailed explanation of what is understood by this term. In order to do that, we will not cite a variety of interpretations existing for this term, instead, we are intended to give a notion to this term that would provide for a more visual interpretation. Basic problem statement. Using the abovementioned Stipulation and Hypotheses it is necessary to determine a quality criterion of a self-organizing system functioning as well as to give its formal description. Certain SC subclasses. In order to detect qualitative peculiarities of the considered model the following numerical investigations were conducted. In a new equilibrium state we obtain an absolutely new evolvable system that again, with the change of a load parameter, initiates the process of its development similar. Facts confirming presence of information perception boundary (IPB with self-organizing systems. Given analysis shows that any system, capable of perceiving information, possesses its own IPB. This fact comes well enough to an agreement with data that prove the possibilities of self-organization on the basis of the existing principles of physics and biology. According to the abovementioned it can be concluded that the task of a qualitative survey of evolvable system may lie in determination of its IPB, depending on determining parameters, such as quantity and quality of information coming into the system as well as speed rate of its organization. Such survey is aimed at the description of all possible bifurcations, plotting of a range of bifurcation set at a range with various type of phase portraits and to indicate a phase portrait corresponding to every range with IPB domain. Using the words of great I.P. Pavlov “all types of life, from the simplest to the most complex organisms, including human, is a long line of ever complicating to the highest degree

  8. A divergent heritage for complex organics in Isheyevo lithic clasts

    Science.gov (United States)

    van Kooten, Elishevah M. M. E.; Nagashima, Kazuhide; Kasama, Takeshi; Wampfler, Susanne F.; Ramsey, Jon P.; Frimann, Søren; Balogh, Zoltan I.; Schiller, Martin; Wielandt, Daniel P.; Franchi, Ian A.; Jørgensen, Jes K.; Krot, Alexander N.; Bizzarro, Martin

    2017-05-01

    Primitive meteorites are samples of asteroidal bodies that contain a high proportion of chemically complex organic matter (COM) including prebiotic molecules such as amino acids, which are thought to have been delivered to Earth via impacts during the early history of the Solar System. Thus, understanding the origin of COM, including their formation pathway(s) and environment(s), is critical to elucidate the origin of life on Earth as well as assessing the potential habitability of exoplanetary systems. The Isheyevo CH/CBb carbonaceous chondrite contains chondritic lithic clasts with variable enrichments in 15N believed to be of outer Solar System origin. Using transmission electron microscopy (TEM-EELS) and in situ isotope analyses (SIMS and NanoSIMS), we report on the structure of the organic matter as well as the bulk H and N isotope composition of Isheyevo lithic clasts. These data are complemented by electron microprobe analyses of the clast mineral chemistry and bulk Mg and Cr isotopes obtained by inductively coupled plasma and thermal ionization mass spectrometry, respectively (MC-ICPMS and TIMS). Weakly hydrated (A) clasts largely consist of Mg-rich anhydrous silicates with local hydrated veins composed of phyllosilicates, magnetite and globular and diffuse organic matter. Extensively hydrated clasts (H) are thoroughly hydrated and contain Fe-sulfides, sometimes clustered with organic matter, as well as magnetite and carbonates embedded in a phyllosilicate matrix. The A-clasts are characterized by a more 15N-rich bulk nitrogen isotope composition (δ15N = 200-650‰) relative to H-clasts (δ15N = 50-180‰) and contain extremely 15N-rich domains with δ15N nitrile functional groups in A-clasts. We suggest that the isotopically divergent organic precursors in Isheyevo clasts may be similar to organic moieties in carbonaceous chondrites (CI, CM, CR) and thermally recalcitrant organic compounds in ordinary chondrites, respectively. The altering fluids, which

  9. Self-organizing Complex Networks: individual versus global rules

    Science.gov (United States)

    Mahmoodi, Korosh; West, Bruce J.; Grigolini, Paolo

    2017-01-01

    We introduce a form of Self-Organized Criticality (SOC) inspired by the new generation of evolutionary game theory, which ranges from physiology to sociology. The single individuals are the nodes of a composite network, equivalent to two interacting subnetworks, one leading to strategy choices made by the individuals under the influence of the choices of their nearest neighbors and the other measuring the Prisoner's Dilemma Game payoffs of these choices. The interaction between the two networks is established by making the imitation strength K increase or decrease according to whether the last two payoffs increase or decrease upon increasing or decreasing K. Although each of these imitation strengths is selected selfishly, and independently of the others as well, the social system spontaneously evolves toward the state of cooperation. Criticality is signaled by temporal complexity, namely the occurrence of non-Poisson renewal events, the time intervals between two consecutive crucial events being given by an inverse power law index μ = 1.3 rather than by avalanches with an inverse power law distribution as in the original form of SOC. This new phenomenon is herein labeled self-organized temporal criticality (SOTC). We compare this bottom-up self-organization process to the adoption of a global choice rule based on assigning to all the units the same value K, with the time evolution of common K being determined by consciousness of the social benefit, a top-down process implying the action of a leader. In this case self-organization is impeded by large intensity fluctuations and the global social benefit turns out to be much weaker. We conclude that the SOTC model fits the requests of a manifesto recently proposed by a number of European social scientists. PMID:28736534

  10. Organic Light-Emitting Device Based on Terbium Complex

    Institute of Scientific and Technical Information of China (English)

    Xu Ying; Deng Zhenbo; Xu Denghui; Xiao Jing; Wang Ruifen

    2005-01-01

    A new rare earth complex Tb(p-MBA)3phen was synthesized, which is first used as an emitting material in organic electroluminescence. By doping it into the conjugated polymer PVK, single-layer and double-layer devices were fabricated with structures: device 1: ITO/PVK∶ Tb(p-MBA)3phen/Al; device 2∶ ITO/PVK: Tb(p-MBA)3phen/AlQ/LiF/Al. The characteristics of these devices have been investigated. The emission of PVK is completely restrained, and only the pure green emission from Tb3+ can be observed in electroluminescence. The optimized device 2 has better monochromatic characteristics with the maximal brightness of 152 cd · m-2 at the voltage of 20 V.

  11. Understanding implementation in complex public organizations – implication for practice

    Directory of Open Access Journals (Sweden)

    Gry Cecilie Høiland

    2016-10-01

    Full Text Available The effective implementation of politically initiated public service innovations to the front-lines of the public service organization, where the innovation is to be applied, is a challenge that both practitioners and researchers struggle to solve. We highlight the importance of analysing contextual factors at several levels of the implementation system, as well as the importance of considering how the practical everyday work situations of the front-line workers influence their application of the innovation in question. We illustrate this by exploring the implementation process of a specific work inclusion measure, looking at its wider context and some of its implementation outcomes at a specific public agency. The intention is to illustrate the significance of considering the contextual complexity influencing implementation work as a reminder for practitioners to take this into account in their planning and practices.

  12. Organized simultaneous displays facilitate learning of complex natural science categories.

    Science.gov (United States)

    Meagher, Brian J; Carvalho, Paulo F; Goldstone, Robert L; Nosofsky, Robert M

    2017-02-24

    Subjects learned to classify images of rocks into the categories igneous, metamorphic, and sedimentary. In accord with the real-world structure of these categories, the to-be-classified rocks in the experiments had a dispersed similarity structure. Our central hypothesis was that learning of these complex categories would be improved through observational study of organized, simultaneous displays of the multiple rock tokens. In support of this hypothesis, a technique that included the presentation of the simultaneous displays during phases of the learning process yielded improved acquisition (Experiment 1) and generalization (Experiment 2) compared to methods that relied solely on sequential forms of study and testing. The technique appears to provide a good starting point for application of cognitive-psychology principles of effective category learning to the science classroom.

  13. Social, spatial, and temporal organization in a complex insect society.

    Science.gov (United States)

    Quevillon, Lauren E; Hanks, Ephraim M; Bansal, Shweta; Hughes, David P

    2015-08-24

    High-density living is often associated with high disease risk due to density-dependent epidemic spread. Despite being paragons of high-density living, the social insects have largely decoupled the association with density-dependent epidemics. It is hypothesized that this is accomplished through prophylactic and inducible defenses termed 'collective immunity'. Here we characterise segregation of carpenter ants that would be most likely to encounter infectious agents (i.e. foragers) using integrated social, spatial, and temporal analyses. Importantly, we do this in the absence of disease to establish baseline colony organization. Behavioural and social network analyses show that active foragers engage in more trophallaxis interactions than their nest worker and queen counterparts and occupy greater area within the nest. When the temporal ordering of social interactions is taken into account, active foragers and inactive foragers are not observed to interact with the queen in ways that could lead to the meaningful transfer of disease. Furthermore, theoretical resource spread analyses show that such temporal segregation does not appear to impact the colony-wide flow of food. This study provides an understanding of a complex society's organization in the absence of disease that will serve as a null model for future studies in which disease is explicitly introduced.

  14. Aging of the mammalian gastrointestinal tract: a complex organ system.

    Science.gov (United States)

    Saffrey, M Jill

    2014-06-01

    Gastrointestinal disorders are a major cause of morbidity in the elderly population. The gastrointestinal tract is the most complex organ system; its diverse cells perform a range of functions essential to life, not only secretion, digestion, absorption and excretion, but also, very importantly, defence. The gastrointestinal tract acts not only as a barrier to harmful materials and pathogens but also contains the vast number of beneficial bacterial populations that make up the microbiota. Communication between the cells of the gastrointestinal tract and the central nervous and endocrine systems modifies behaviour; the organisms of the microbiota also contribute to this brain-gut-enteric microbiota axis. Age-related physiological changes in the gut are not only common, but also variable, and likely to be influenced by external factors as well as intrinsic aging of the cells involved. The cellular and molecular changes exhibited by the aging gut cells also vary. Aging intestinal smooth muscle cells exhibit a number of changes in the signalling pathways that regulate contraction. There is some evidence for age-associated degeneration of neurons and glia of the enteric nervous system, although enteric neuronal losses are likely not to be nearly as extensive as previously believed. Aging enteric neurons have been shown to exhibit a senescence-associated phenotype. Epithelial stem cells exhibit increased mitochondrial mutation in aging that affects their progeny in the mucosal epithelium. Changes to the microbiota and intestinal immune system during aging are likely to contribute to wider aging of the organism and are increasingly important areas of analysis. How changes of the different cell types of the gut during aging affect the numerous cellular interactions that are essential for normal gut functions will be important areas for future aging research.

  15. Computational expression deconvolution in a complex mammalian organ

    Directory of Open Access Journals (Sweden)

    Master Stephen R

    2006-07-01

    Full Text Available Abstract Background Microarray expression profiling has been widely used to identify differentially expressed genes in complex cellular systems. However, while such methods can be used to directly infer intracellular regulation within homogeneous cell populations, interpretation of in vivo gene expression data derived from complex organs composed of multiple cell types is more problematic. Specifically, observed changes in gene expression may be due either to changes in gene regulation within a given cell type or to changes in the relative abundance of expressing cell types. Consequently, bona fide changes in intrinsic gene regulation may be either mimicked or masked by changes in the relative proportion of different cell types. To date, few analytical approaches have addressed this problem. Results We have chosen to apply a computational method for deconvoluting gene expression profiles derived from intact tissues by using reference expression data for purified populations of the constituent cell types of the mammary gland. These data were used to estimate changes in the relative proportions of different cell types during murine mammary gland development and Ras-induced mammary tumorigenesis. These computational estimates of changing compartment sizes were then used to enrich lists of differentially expressed genes for transcripts that change as a function of intrinsic intracellular regulation rather than shifts in the relative abundance of expressing cell types. Using this approach, we have demonstrated that adjusting mammary gene expression profiles for changes in three principal compartments – epithelium, white adipose tissue, and brown adipose tissue – is sufficient both to reduce false-positive changes in gene expression due solely to changes in compartment sizes and to reduce false-negative changes by unmasking genuine alterations in gene expression that were otherwise obscured by changes in compartment sizes. Conclusion By adjusting

  16. Technetium Chemistry in HLW: Role of Organic Complexants

    Energy Technology Data Exchange (ETDEWEB)

    Hess, Nancy J.; Blanchard, David L., Jr.; Cho, Herman M.; Xia, Yuanxian; Campbell, James A.; Rai, Dhanpat; Conradson, Steven D.

    2004-06-01

    Tc contamination is found within the DOE complex at those sites whose mission involved extraction of plutonium from irradiated uranium fuel or isotopic enrichment of uranium. At the Hanford Site, chemical separations and extraction processes generated large amounts of high level and transuranic wastes that are currently stored in underground tanks. Technetium is thought to have followed U in bismuth phosphate, REDOX and PUREX extraction campaigns and the Cs and Sr isotope recovery efforts. The waste from these extraction processes is currently stored in underground High Level Waste (HLW) tanks. However, the chemistry of the HLW in any given tank is greatly complicated by repeated efforts to reduce volume and recover isotopes. These processes ultimately resulted in mixing of waste streams from different processes. As a result, the chemistry and the fate of Tc in HLW tanks are not well understood. This lack of understanding has been made evident in the failed efforts to leach Tc from sludge and to remove Tc from supernatants prior to immobilization. Although recent interest in Tc chemistry has shifted from pretreatment chemistry to waste residuals, both needs are served by a fundamental understanding of Tc chemistry. The fate of Tc in the insoluble salts that constitute tank residuals is of paramount importance due to the long half-life and environmental mobility of Tc. Knowledge gaps include determination of the Tc oxidation state, the stability of reduced Tc solution species, and interactions with possible organic complexants in HLW. The objective of this renewal proposal is to continue to pursue fundamental understanding of Tc solution chemistry that provides the basis to make knowledgeable decisions and predictions of Tc behavior during retrieval operations and in tank residuals.

  17. Molecular assembly and organic film growth on complex intermetallic surfaces

    Science.gov (United States)

    Al-Mahboob, Abdullah; Sharma, Hem Raj; Sadowski, Jerzy T.; Ledieu, Julian; Fournée, Vincent; McGrath, Ronan

    We extensively studied the role of molecular symmetry and symmetry/structures of wide ranges of substrate-surfaces from non-periodic to periodic to quasi-crystalline in nucleation, growth and phase transition in films made of organic molecular materials. Recently, most interest in quasicrystals is due to the generalization of aperiodic ordering to several classes of systems. Compared to periodic materials, these provide a closer approximation to an isotropic first Brillouin zone, which is of great importance to the design of new functional materials. Here, we present results obtained from our ongoing study of interface mediated molecular assembly extended on complex intermetallic surfaces with specific examples of C60 and Zn-phthalocyanine on quasicrystalline and approximant surfaces. We employed in-situ real-time low-energy electron microscopy (LEEM) for investigation of the processes in assembly and film growth and post-growth STM study and DFT calculations to understand structural details and growth mechanism. Research were carried out in part at the Center for Functional Nanomaterials, Brookhaven National Lab, USA; partly at Institut Jean Lamour, Université de Lorraine, France; and partly at the Surface Science Research Centre, University of Liverpool, UK.

  18. Composition and organization of active centromere sequences in complex genomes

    Directory of Open Access Journals (Sweden)

    Hayden Karen E

    2012-07-01

    Full Text Available Abstract Background Centromeres are sites of chromosomal spindle attachment during mitosis and meiosis. While the sequence basis for centromere identity remains a subject of considerable debate, one approach is to examine the genomic organization at these active sites that are correlated with epigenetic marks of centromere function. Results We have developed an approach to characterize both satellite and non-satellite centromeric sequences that are missing from current assemblies in complex genomes, using the dog genome as an example. Combining this genomic reference with an epigenetic dataset corresponding to sequences associated with the histone H3 variant centromere protein A (CENP-A, we identify active satellite sequence domains that appear to be both functionally and spatially distinct within the overall definition of satellite families. Conclusions These findings establish a genomic and epigenetic foundation for exploring the functional role of centromeric sequences in the previously sequenced dog genome and provide a model for similar studies within the context of less-characterized genomes.

  19. The origin of complex organic molecules in prestellar cores

    CERN Document Server

    Vastel, Charlotte; Lefloch, Bertrand; Bachiller, Raphael

    2014-01-01

    Complex organic molecules (COMs) have been detected in a variety of environments, including cold prestellar cores. Given the low temperature of these objects, these last detections challenge existing models. We report here new observations towards the prestellar core L1544. They are based on an unbiased spectral survey of the 3mm band at the IRAM-30m telescope, as part of the Large Program ASAI. The observations allow us to provide the full census of the oxygen bearing COMs in this source. We detected tricarbon monoxide, methanol, acetaldehyde, formic acid, ketene, and propyne with abundances varying from 5e-11 to 6e-9. The non-LTE analysis of the methanol lines shows that they are likely emitted at the border of the core, at a radius of ~8000 AU where T~10 K and nH2~2e4 cm-3. Previous works have shown that water vapour is enhanced in the same region because of the photodesorption of water ices. We propose that a non-thermal desorption mechanism is also responsible for the observed emission of methanol and CO...

  20. Multi-organ technetium complexes production and use thereof

    Energy Technology Data Exchange (ETDEWEB)

    Koehler, G.A.; Pestel, G.M.

    1976-08-24

    Chemical complexes, useful as radiopharmaceuticals, are formed by reacting technetium-99m with substituted or unsubstituted alkyl monophosphonic acids and certain ester derivatives thereof. The complexes are formed by reducing pertechnetate ion chemically or electrolytically in the presence of the phosphonic acid. By chemical modification of the phosphonic acid complexing agent, it is possible to ''tailor'' complexes for kidney, liver or bone imaging. The complexes are normally used in a physiologically acceptable aqueous medium. 20 Claims, No Drawings.

  1. Efficient white organic light-emitting diodes based on iridium complex sensitized copper complex

    Energy Technology Data Exchange (ETDEWEB)

    Su Zisheng; Li Wenlian; Chu Bei; Xu Maoliang; Che Guangbo; Wang Dan; Han Liangliang; Li Xiao; Zhang Dongyu; Bi Defeng; Chen Yiren [Key Laboratory of Excited State Processes, Changchun Institute of Optics, Fine Mechanics and Physics, Chinese Academy of Sciences, Changchun 130033 (China)], E-mail: wllioel@yahoo.com.cn

    2008-04-21

    Efficient double emission-layer white organic light-emitting diodes comprising a yellow emission from bis[(4,6-difluorophenyl)-pyridinato-N,C{sup 2}](picolinato)Ir(III) (FIrpic) sensitized [Cu(bis[2-(diphenylphosphino)phenyl]ether) (6,7-Dicyanodipyrido[2,2-d : 2', 3'-f] quinoxaline)]BF{sub 4}(Cu{sup I} complex) and a blue emission from 4, 4'-bis(2,2'-diphenylvinyl)-1, 1'-biphenyl (DPVBi) were demonstrated. The emission spectrum can be fine tuned by effectively controlling the thicknesses of the two emission layers. The optimized device with 18 nm FIrpic and the Cu{sup I} complex codoped 4, 4'-N,N'-dicarbazole-biphenyl layer and 12 nm DPVBi layer shows a maximum current efficiency of 8.5 cd A{sup -1}, a maximum power efficiency of 5.3 lm W{sup -1} and a maximum luminance of 3290 cd m{sup -2}. Moreover, the device exhibits a CIE coordinate of (0.345, 0.357) at a bias of 8 V and a slight colour variation with increased voltage from 6 to 16 V.

  2. THE ORIGIN OF COMPLEX ORGANIC MOLECULES IN PRESTELLAR CORES

    Energy Technology Data Exchange (ETDEWEB)

    Vastel, C. [Université de Toulouse, UPS-OMP, IRAP, F-31400 Toulouse (France); Ceccarelli, C.; Lefloch, B. [Univ. Grenoble Alpes, IPAG, F-38000 Grenoble (France); Bachiller, R., E-mail: cvastel@irap.omp.eu [Observatorio Astronómico Nacional (OAN, IGN). Calle Alfonso XII 3, E-28014 Madrid (Spain)

    2014-11-01

    Complex organic molecules (COMs) have been detected in a variety of environments including cold prestellar cores. Given the low temperatures of these objects, these detections challenge existing models. We report here new observations toward the prestellar core L1544. They are based on an unbiased spectral survey of the 3 mm band at the IRAM 30 m telescope as part of the Large Program ASAI. The observations allow us to provide a full census of the oxygen-bearing COMs in this source. We detected tricarbon monoxide, methanol, acetaldehyde, formic acid, ketene, and propyne with abundances varying from 5 × 10{sup –11} to 6 × 10{sup –9}. The non-LTE analysis of the methanol lines shows that they are likely emitted at the border of the core at a radius of ∼8000 AU, where T ∼ 10 K and n {sub H{sub 2}} ∼2 × 10{sup 4} cm{sup –3}. Previous works have shown that water vapor is enhanced in the same region because of the photodesorption of water ices. We propose that a non-thermal desorption mechanism is also responsible for the observed emission of methanol and COMs from the same layer. The desorbed oxygen and a small amount of desorbed methanol and ethene are enough to reproduce the abundances of tricarbon monoxide, methanol, acetaldehyde, and ketene measured in L1544. These new findings open the possibility that COMs in prestellar cores originate in a similar outer layer rather than in the dense inner cores, as previously assumed, and that their formation is driven by the non-thermally desorbed species.

  3. Complex organizations: the case of the Brazilian nuclear sector

    Energy Technology Data Exchange (ETDEWEB)

    Xavier, Roberto Salles [Comissao Nacional de Energia Nuclear (CNEN), Rio de Janeiro, RJ (Brazil). Coordenacao-Geral de Planejamento e Avaliacao], e-mail: xavier@cnen.gov.br

    2009-07-01

    The resumption of the Brazilian Nuclear Program (BNP), in the proposed size and after 20 years of paralysis, requires profound changes in the current organizational modeling of the national nuclear industry. The effectiveness of any process of organizational change is limited to three factors. The theoretical bottleneck happens when you do not know enough about a phenomenon in order to effect the desired changes. The resource bottleneck occurs when knowledge may be available to change people's behavior but the funds necessary for implementation may be lacking. The organizational bottleneck emerges when there are knowledge and resources to solve a problem, but may not able to organize the resources in order to carry out the problem-solving effort. In the case of resumption of BNP seems clear that there is the knowledge of what is needed to make policy and the intention to allocate the necessary resources. But the question is the following: the current organizational model of the Brazilian nuclear sector is consistent with the goals laid down in the scenario of resumption of BNP? That is, is there organizational ability to leverage a program of the size proposed for the nuclear area? Find answers to these questions is crucial, because the organizational model of the Brazilian nuclear sector consists of elements involving a complex interorganizational system. Thus, this article is to examine the appropriateness of the current organizational modeling of the Brazilian nuclear sector to current demands of society. As a result, the article aims to propose recommendations for a remodeling of the nuclear sector, taking into account the current national and international scenarios of nuclear energy. (author)

  4. Universal properties of dynamically complex systems - The organization of chaos

    Science.gov (United States)

    Procaccia, Itamar

    1988-06-01

    The complex dynamic behavior of natural systems far from equilibrium is discussed. Progress that has been made in understanding universal aspects of the paths to such behavior, of the trajectories at the borderline of chaos, and of the nature of the complexity in the chaotic regime, is reviewed. The emerging grammar of chaos is examined.

  5. Gendered Managerial Discourses in Sport Organizations: Multiplicity and Complexity

    NARCIS (Netherlands)

    Knoppers, Annelies; Anthonissen, A.

    2007-01-01

    The lack of women in senior management functions in sport may in part be attributed to dominant discursive managerial practices in sport organizations. The purpose of this study is to explore ways in which the discourses and their subtexts used by directors of Dutch national sport organizations to t

  6. Complex

    African Journals Online (AJOL)

    CLEMENT O BEWAJI

    Schiff bases and their complex compounds have been studied for their .... establishing coordination of the N–(2 – hydroxybenzyl) - L - α - valine Schiff base ..... (1967); “Spectrophotometric Identification of Organic Compounds”, Willey, New.

  7. SYSTEM MANAGEMENT OF DEVELOPMENT THE PROCESSING AGRARIAN AND INDUSTRIAL COMPLEXES ORGANIZATIONS

    Directory of Open Access Journals (Sweden)

    L. V. Briantseva

    2014-01-01

    Full Text Available Summary. Concepts of development of the processing agrarian and industrial complex organization of a context of management processes from the point of view of system approach are considered. Definition is given to concept "system" as set of elements of qualitative content. Properties of the processing organization as systems are proved: complexity, focus, dynamism, adaptability, equivalence finality, emergency. The main lines of the processing organization as economic system are considered: integrity, hierarchy, focus, ability to development. Features of the processing organization as agrarian and industrial complex subsystems are proved: belonging to the internal environment of agrarian and industrial complex (unambiguous and ambiguous; compliance of technological appointment of the organization and its process elements to the internal environment of agrarian and industrial complex; complexity of structure of the organization uniting diverse elements by means of multidirectional, various and interpenetrating communications. The theoretical description of a strategic objective of system approach to management of the processing organization is given. Сharacterized a role of changes in system management of development of the processing organization. It is shown how system approach in management of the processing agrarian and industrial complex organization allows to increase stability of competitiveness of business.

  8. Homeland Security Organizations: Design Contingencies in Complex Environments

    Science.gov (United States)

    2011-09-01

    in Charge Cell OMT Organization and Management Theory OPERATIONS Section Los Angeles County Operational Area Unified Command- Operations Section...and management theory” ( OMT ). The OMT literature suggests that no single organizational design is optimal in all situations, nor do all designs...referred to as Organization and Management Theory ( OMT )—have been extensively examined in the literature, using at various times and by different

  9. Correcting for Differential Transcript Coverage Reveals a Strong Relationship between Alternative Splicing and Organism Complexity

    OpenAIRE

    Chen, Lu; Bush, Stephen J; Tovar-Corona, Jaime M.; Castillo-Morales, Atahualpa; Urrutia, Araxi O.

    2014-01-01

    What at the genomic level underlies organism complexity? Although several genomic features have been associated with organism complexity, in the case of alternative splicing, which has long been proposed to explain the variation in complexity, no such link has been established. Here, we analyzed over 39 million expressed sequence tags available for 47 eukaryotic species with fully sequenced genomes to obtain a comparable index of alternative splicing estimates, which corrects for the distorti...

  10. Sensory neuroanatomy of stick insects highlights the evolutionary diversity of the orthopteroid subgenual organ complex.

    Science.gov (United States)

    Strauß, Johannes; Lakes-Harlan, Reinhard

    2013-11-01

    The subgenual organ is a scolopidial sense organ located in the tibia of many insects. In this study the neuroanatomy of the subgenual organ complex of stick insects is clarified for two species, Carausius morosus and Siyploidea sipylus. Neuronal tracing shows a subgenual organ complex that consists of a subgenual organ and a distal organ. There are no differences in neuroanatomy between the three thoracic leg pairs, and the sensory structures are highly similar in both species. A comparison of the neuroanatomy with other orthopteroid insects highlights two features unique in Phasmatodea. The subgenual organ contains a set of densely arranged sensory neurons in the anterior-ventral part of the organ, and a distal organ with 16-17 scolopidial sensilla in C. morosus and 20-22 scolopidial sensilla in S. sipylus. The somata of sensory neurons in the distal organ are organized in a linear array extending distally into the tibia, with only a few exceptions of closely associated neurons. The stick insect sense organs show a case of an elaborate scolopidial sense organ that evolved in addition to the subgenual organ. The neuroanatomy of stick insects is compared to that studied in other orthopteroid taxa (cockroaches, locusts, crickets, tettigoniids). The comparison of sensory structures indicates that elaborate scolopidial organs have evolved repeatedly among orthopteroids. The distal organ in stick insects has the highest number of sensory neurons known for distal organs so far. Copyright © 2013 Wiley Periodicals, Inc.

  11. Mergers and acquisitions in professional organizations: a complex adaptive systems approach.

    Science.gov (United States)

    Walls, M E; McDaniel, R R

    1999-09-01

    Nurse managers face unique challenges as they cope with mergers and acquisitions among health care organizations. These challenges can be better understood if it is recognized that health care institutions are professional organizations and that the transformations required are extremely difficult. These difficulties are caused, in part, by the institutionalized nature of professional organizations, and this nature is explicated. Professional organizations are stubborn. They are repositories of expertise and values that are societal in origin and difficult to change. When professional organizations are understood as complex adaptive systems, complexity theory offers insight that provide strategies for managing mergers and acquisitions that may not be apparent when more traditional conceptualizations of professional organizations are used. Specific managerial techniques consistent with both the institutionalized characteristics and the complex adaptive systems characteristics of professional organizations are offered to nurse managers.

  12. An Improved Conceptually-Based Method for Analysis of Communication Network Structure of Large Complex Organizations.

    Science.gov (United States)

    Richards, William D., Jr.

    Previous methods for determining the communication structure of organizations work well for small or simple organizations, but are either inadequate or unwieldy for use with large complex organizations. An improved method uses a number of different measures and a series of successive approximations to order the communication matrix such that…

  13. Organic complexation of iron in the West Atlantic Ocean

    NARCIS (Netherlands)

    Gerringa, L.J.A.; Rijkenberg, M.J.; Schoemann, V.; Laan, P.; de Baar, H.J.W.

    2015-01-01

    The characteristics of the dissolved iron (DFe) binding organic ligands were determined during 3 Dutch GEOTRACES cruises covering the length of the West Atlantic Ocean. Adsorptive Differential Pulse Cathodic Stripping Voltammetry (AdDPCSV) with TAC as competing ligand was used to measure Fe binding

  14. Complexities of Organization Dynamics and Development: Leaders and Managers

    Science.gov (United States)

    Nderu-Boddington, Eulalee

    2008-01-01

    This article shows the theoretical framework for understanding organizational dynamics and development - the change theory and subordinate relationships within contemporary organizations. The emphasis is on power strategies and the relationship to organizational dynamics and development. The integrative process broadens the understanding of…

  15. Organic complexation of iron in the West Atlantic Ocean

    NARCIS (Netherlands)

    Gerringa, L. J. A.; Rijkenberg, M. J. A.; Schoemann, V.; Laan, P.; de Baar, H. J. W.

    2015-01-01

    The characteristics of the dissolved iron (DFe) binding organic ligands were determined during 3 Dutch GEOTRACES cruises covering the length of the West Atlantic Ocean. Adsorptive Differential Pulse Cathodic Stripping Voltammetry (AdDPCSV) with TAC as competing ligand was used to measure Fe binding

  16. Can enantiomorphic crystals like quartz play a role in the origin of homochirality on earth?

    Science.gov (United States)

    Klabunovskii, E I

    2001-01-01

    This communication reviews the possible actions of enantiomorphic crystals on the surface of Earth as sources of homochirality of organic compounds. The discovery of asymmetric adsorption and asymmetric catalysis involving optically active quartz crystals has led some authors to conclude that this source of asymmetry played an important role as a source of homochirality in nature, a concept that later proved erroneous. Moreover, data regarding the preponderance in nature of l-quartz crystals have been used to confirm calculations of the parity violation energy difference (PVED) for l-quartz and, hence, to explain the prevalence of L-amino acids and D-sugars in living matter. As discussed here, quartz and other enantiomorphs such as sodium chlorate can produce chiral intermediates active in autocatalytical processes. Our most recent compilation of the literature, however, reveals that the distribution of d- and l-quartz crystals at the surface of the Earth when all possible locations are included is quite random. Although quartz can serve as an effective asymmetric inductor in autocatalytic processes, it cannot be the source of homochirality of living matter because of the random occurrence of the two types of enantiomorphs. The calculations of PVED values for quartz therefore lack a sound physical basis.

  17. Musing on the structural organization of the exosome complex

    OpenAIRE

    Mitchell, Philip; Tollervey, David

    2000-01-01

    The exosome complex of 3′→5′ exoribonucleases functions in both the precise processing of 3′ extended precursor molecules to mature stable RNAs and the complete degradation of other RNAs. Both processing and degradative activities of the exosome depend on additional cofactors, notably the putative RNA helicases Mtr4p and Ski2p. It is not known how these factors regulate exosome function or how the exosome distinguishes RNAs destined for processing events from substrates that are t...

  18. Organizations as complex systems an introduction to knowledge cybernetics

    CERN Document Server

    Yolles, Maurice

    2006-01-01

    Managing the Complex is an ambitious title - and it would be an audacious one if we were not to begin with a frank admission: to date few to none of us have a skill set which includes managing the complex. We try various things, we write about others, and we wonder about still others. When a tool, perspective, or technique comes along which seems to evoke success, we emulate it probe it and recoil at the all too often admission that it was situation and context which afforded success its opportunity, and not some quality intrinsic to the tool perspective or technique. Indeed, if the study of complexity has done anything for managers, and for those who espouse managerial theory, it is in providing a 'scientific foundation' for the notion that context matters. Those who preach abstract ideas have then to reconcile themselves to the notion that situation and embodiment matters. Those who believe in strong causality and determinism are left to wrestle with the role of chance, uncertainty, and chaos. Those who pre...

  19. XAFS study of bioactive Cu(II) complexes of 7-hydroxycoumarin derivatives in organic solvents

    Science.gov (United States)

    Klepka, M. T.; Wolska, A.; Drzewiecka-Antonik, A.; Rejmak, P.; Hatada, K.; Aquilanti, G.

    2017-04-01

    We characterize the structure of two Cu(II) complexes of 7-hydroxycoumarins in organic solvents. The solvents are, dimethyl sulfoxide and dimethylformamide. X-ray absorption spectroscopy together with density functional theory calculations are employed to identify the structural changes induced by the two solvents in comparison to the solid form of complexes. We show that the structure of the Cu(II) complexes is modified depending on the solvent and we propose the geometry of the complexes molecule.

  20. Clogging and self-organized criticality in complex networks.

    Science.gov (United States)

    Bianconi, Ginestra; Marsili, Matteo

    2004-09-01

    We propose a simple model that aims at describing, in a stylized manner, how local breakdowns due to imbalances or congestion propagate in real dynamical networks. The model converges to a self-organized critical stationary state in which the network shapes itself as a consequence of avalanches of rewiring processes. Depending on the model's specification, we obtain either single-scale or scale-free networks. We characterize in detail the relation between the statistical properties of the network and the nature of the critical state, by computing the critical exponents. The model also displays a nontrivial, sudden collapse to a complete network.

  1. Information driven self-organization of complex robotic behaviors.

    Directory of Open Access Journals (Sweden)

    Georg Martius

    Full Text Available Information theory is a powerful tool to express principles to drive autonomous systems because it is domain invariant and allows for an intuitive interpretation. This paper studies the use of the predictive information (PI, also called excess entropy or effective measure complexity, of the sensorimotor process as a driving force to generate behavior. We study nonlinear and nonstationary systems and introduce the time-local predicting information (TiPI which allows us to derive exact results together with explicit update rules for the parameters of the controller in the dynamical systems framework. In this way the information principle, formulated at the level of behavior, is translated to the dynamics of the synapses. We underpin our results with a number of case studies with high-dimensional robotic systems. We show the spontaneous cooperativity in a complex physical system with decentralized control. Moreover, a jointly controlled humanoid robot develops a high behavioral variety depending on its physics and the environment it is dynamically embedded into. The behavior can be decomposed into a succession of low-dimensional modes that increasingly explore the behavior space. This is a promising way to avoid the curse of dimensionality which hinders learning systems to scale well.

  2. Adsorption and mobility of Cr(III)-organic acid complexes in soils.

    Science.gov (United States)

    Cao, Xinhua; Guo, Jing; Mao, Jingdong; Lan, Yeqing

    2011-09-15

    The soluble Cr(III) is likely to be complexed with organic ligands in ligand-rich soil. Cr(VI) chemical reduction by organic acids and bioreduction by microorganisms can produce soluble Cr(III)-organic acids complexes. Thus, it is of great significance to investigate the absorption and mobility of Cr(III)-organic acid complexes in soils. In this study, Cr(III)-EDTA and Cr(III)-cit were prepared and purified, and then were examined for adsorption and mobility. The results demonstrated that Cr(III) was strongly bound to soil, while Cr(III)-organic acid complexes had no or slight interaction with soils since Cr(III)-EDTA and Cr(III)-cit complexes mainly existed as the forms of [Cr(III)-EDTA](-) and [Cr(III)-cit], respectively, under the tested conditions with initial pH 4.0-9.0. The adsorption of Cr(III) increased but that of Cr(III)-organic acid complexes decreased with the content of soil organic matter. Compared with Cr(III)-EDTA, the mobility of Cr(III)-cit in soil columns was reduced, due to the specific adsorption between soils and Cr(III)-cit which contained one free hydroxyl group. Copyright © 2011 Elsevier B.V. All rights reserved.

  3. Organic Light Emitting Devices Based on Terbium Complex

    Institute of Scientific and Technical Information of China (English)

    肖静; 邓振波; 张志锋; 徐登辉; 徐颖; 王瑞芬

    2004-01-01

    Rare earth complex TbY(m-MOBA)6(phen)2·2H2O was synthesized,which was first used as an emitting material in electroluminescence.The properties of monolayer device with the rate of 1000 r·min-1 (70 nm) and the impure concentration of 1∶5 were the best.And the highest brightness of this device reached 21.8 cd·cm-2 at a fixed bias of 20 V.Bright green emission can be obtained from the optimized double-layer device,and the highest EL brightness of the device reached 289 cd·m-2 at the voltage of 21 V.

  4. Organic Light Emitting Devices Based on Terbium Complex

    Institute of Scientific and Technical Information of China (English)

    Xiao Jing; Deng Zhenbo; Xu Denghui; Xu Ying; Wang Ruifen

    2005-01-01

    Rare earth complex Tb(BA)3phen was synthesized, which is first used as an emitting material in electroluminescence. The properties of monolayer device with the swing film rate of 1000 r·min-1(70 nm) and the weight ratio of 1:5(PVK:Tb(BA)3phen) are the best. And the highest brightness of this device reached 26.8 cd·cm-2 at a fixed bias of 21 V. Bright green emission could be obtained from the optimized double-layer device and the highest EL brightness of the device reached 322 cd·m-2 at the voltage of 22 V.

  5. Laboratory production of complex organics in simulated interstellar ices

    Science.gov (United States)

    Dworkin, J.; Bernstein, M.; Ashbourn, S.; Iraci, L.; Cooper, G.; Sandford, S.; Allamandola, L.

    1 see www.astrochem.org for more information. Bernstein, M., Dworkin, J., Sandford, S., &Allamandola, L. (2001). Ultraviolet Ir- radiation of Naphthalene in H2O Ice: Implications for Meteorites and Biogenesis. Meteoritics and Planetary Science36, 351-358. Bernstein, M., Dworkin, J., Sandford, S., Cooper, G. &Allamandola, L. (2002) The Formation of Racemic Amino Acids byUltraviolet Photolysis of Interstellar Ice Analogs. Nature, 416, 401U403 Dworkin, J., Deamer, D., Sandford, S., &Allamandola, L. (2001). Self-Assembling Amphiphilic Molecules: Synthesis in Simulated Interstellar/Precometary Ices. Proc. Nat. Acad. Sci. USA 98, 815-819. Krishnamurthy, R., Epstein, S., Cronin, J., Pizzarello, S. &Yuen, G. (1992) Isotopic and molecular analyses of hydrocarbons and monocarboxylic acids of the Murchison meteorite. Geochim. Cosmochim. Acta 56, 4045-4058. Sandford, S. A., Bernstein, M. P., &Dworkin, J. P. (2001). Assessment of the interstellar processes leading to deuterium enrichment in meteoritic organics. Meteoritics and Planetary Sci- ence36, 1117-1133.

  6. Self-organization of complex networks as a dynamical system

    Science.gov (United States)

    Aoki, Takaaki; Yawata, Koichiro; Aoyagi, Toshio

    2015-01-01

    To understand the dynamics of real-world networks, we investigate a mathematical model of the interplay between the dynamics of random walkers on a weighted network and the link weights driven by a resource carried by the walkers. Our numerical studies reveal that, under suitable conditions, the co-evolving dynamics lead to the emergence of stationary power-law distributions of the resource and link weights, while the resource quantity at each node ceaselessly changes with time. We analyze the network organization as a deterministic dynamical system and find that the system exhibits multistability, with numerous fixed points, limit cycles, and chaotic states. The chaotic behavior of the system leads to the continual changes in the microscopic network dynamics in the absence of any external random noises. We conclude that the intrinsic interplay between the states of the nodes and network reformation constitutes a major factor in the vicissitudes of real-world networks.

  7. Cleave to Leave : Structural Insights into the Dynamic Organization of the Nuclear Pore Complex

    NARCIS (Netherlands)

    Dokudovskaya, Svetlana; Veenhoff, Liesbeth M.; Rout, Michael P.

    2002-01-01

    A detailed understanding of the fine structure of the nuclear pore complex has remained elusive. Now, studies on a small protein domain have shed light on the dynamic organization of this massive assembly.

  8. New Pathways for the Formation of Complex Organics and Prebiotic Synthesis in the Gas Phase

    Science.gov (United States)

    El-Shall, M. S.

    2010-04-01

    We study the formation mechanisms of complex organics that are present in interstellar clouds. The reaction of acetylene ion with water produces vinyl alcohol while the reaction of benzene ion with acetylene produces naphthalene-type ion.

  9. Asymmetric synthesis of amino acid precursors in interstellar complex organics by circularly polarized light

    OpenAIRE

    Takano, Yoshinori; Takahashi, Jun-ichi; Kaneko, Takeo; Marumo, Katsumi; Kobayashi, Kensei

    2007-01-01

    The asymmetric synthesis of amino acid precursors from complex organics have been performed. A gaseous mixture of carbon monoxide, ammonia and water (molecules which are among those identified in the interstellar medium) was irradiated with 3.0 MeV protons to obtain amino acid precursors within high-molecular-weight complex organics of up to 3,000 Da. The amino acid precursor products synthesized were then irradiated with right (R-) or left (L-) ultraviolet circularly polarized light (UV-CPL)...

  10. The Distribution of Complex Organic Molecules in the Orion KL Molecular Core

    Science.gov (United States)

    Kuan, Yi-Jehng; Hsu, Yu-Sen; Charnley, Steven B.; Wang, Kuo-Song

    2011-01-01

    We conducted high angular-resolution observations toward the massive star-forming region Orion KL at 1.3 mm using the Submillimeter Array (SMA). Spectral emission from twelve complex organic molecules was simultaneously imaged. We discuss the distinct chemical characteristics among four sub- regions in Orion KL by comparing the spatial distributions and fractional abundances of these complex molecules. These observations will allow us to test and constrain chemical models of interstellar organic synthesis.

  11. Time scale hierarchies in the functional organization of complex behaviors.

    Directory of Open Access Journals (Sweden)

    Dionysios Perdikis

    2011-09-01

    Full Text Available Traditional approaches to cognitive modelling generally portray cognitive events in terms of 'discrete' states (point attractor dynamics rather than in terms of processes, thereby neglecting the time structure of cognition. In contrast, more recent approaches explicitly address this temporal dimension, but typically provide no entry points into cognitive categorization of events and experiences. With the aim to incorporate both these aspects, we propose a framework for functional architectures. Our approach is grounded in the notion that arbitrary complex (human behaviour is decomposable into functional modes (elementary units, which we conceptualize as low-dimensional dynamical objects (structured flows on manifolds. The ensemble of modes at an agent's disposal constitutes his/her functional repertoire. The modes may be subjected to additional dynamics (termed operational signals, in particular, instantaneous inputs, and a mechanism that sequentially selects a mode so that it temporarily dominates the functional dynamics. The inputs and selection mechanisms act on faster and slower time scales then that inherent to the modes, respectively. The dynamics across the three time scales are coupled via feedback, rendering the entire architecture autonomous. We illustrate the functional architecture in the context of serial behaviour, namely cursive handwriting. Subsequently, we investigate the possibility of recovering the contributions of functional modes and operational signals from the output, which appears to be possible only when examining the output phase flow (i.e., not from trajectories in phase space or time.

  12. After the "Organic Industrial Complex": An Ontological Expedition through Commercial Organic Agriculture in New Zealand

    Science.gov (United States)

    Campbell, Hugh; Rosin, Christopher

    2011-01-01

    This article uses the evolving understandings of commercial organic agriculture within two research programmes in New Zealand to address three problematic claims and associated framings that have underpinned analysis of the political economy of commercial organic agriculture. These three framings are: 1) that recent commercial developments in…

  13. INFLUENCE OF COMPLEX COMPOSTS ON DEVELOPMENT OF LIVING ORGANISMS IN TOP LAYERS OF ORDINARY CHERNOZEM

    Directory of Open Access Journals (Sweden)

    Belyuchenko I. S.

    2016-06-01

    Full Text Available Complex compost, which is formed in the process of unification of organic and mineral colloids, the formation of new cycles of nutrients, increasing the enzymatic activity of organic matter and respiration of living organisms, the formation of gaseous compounds, increase of ecological niches and land reclamation is a new direction in practical ecology, agriculture and soil science. This line determines of creation and use of complex mixtures of different wastes household, industrial and agricultural production for enrichment soil of organic and mineral dispersed and colloidal systems and improving their physical, chemical and biological and ecological functions. Formation of complex of compost is provided by the enrichment of substrate of organic matter, comprehensive set of mineral substances and their mixed colloidal composition. Microbial communities are determined by the level of transformation of organic matter and activity of life support system and the variety of living species. Entering into the top layer of soil of complex compost contributes to the development and expansion of ecological niches. At the complex compost it is very active increases the number of actinomycetes, especially representatives of the genus Streptomyces, the population of which are accumulated in the top layer of soil in the summer. Actinomycetes series of Cinereus were encountered most often in the soil after introduction of complex compost, Violaceus and Aureus were allocated less

  14. Bioavailability and Electroreactivity of Zinc Complexed to Strong and Weak Organic Ligands.

    Science.gov (United States)

    Kim, Ja-Myung; Baars, Oliver; Morel, François M M

    2015-09-15

    Laboratory experiments have established the importance of complexation by organic ligands in determining the bioavailability of trace metals to marine phytoplankton, while electrochemical measurements with field samples have demonstrated that a large fraction of bioactive trace metals are complexed to strong organic ligands in seawater. Using the model organic ligands, EDTA and histidine, we show a quantitative correspondence between the bioavailability of Zn to the diatom Thalassiosira weissflogii, and its reduction at -1.2 V (vs Ag/AgCl) on a hanging mercury drop electrode. Equilibrium calculations and polarographic data indicate that Zn bound in inorganic complexes and the 1:1 Zn-histidine complex, but not in the 1:2 Zn-histidine complex or the Zn-EDTA complexes, is taken up by the organism and reduced at the electrode surface, confirming a previous report of the bioavailability of weak Zn complexes. Electrochemical measurements of Zn speciation in seawater do not generally reveal the presence of weak (and potentially bioavailable) complexes; but such measurements (particularly by Anodic Stripping Voltammetry) should nonetheless often provide good estimates of the bioavailable Zn concentrations. These results can likely be generalized to other bioactive divalent trace metals.

  15. Complexation with dissolved organic matter and solubility control of heavy metals in sandy soil

    NARCIS (Netherlands)

    Weng, L.; Temminghoff, E.J.M.; Lofts, S.; Tipping, E.; Riemsdijk, van W.H.

    2002-01-01

    The complexation of heavy metals with dissolved organic matter (DOM) in the environment influences the solubility and mobility of these metals. In this paper, we measured the complexation of Cu, Cd, Zn, Ni, and Pb with DOM in the soil solution at pH 3.7-6.1 using a Donnan membrane technique. The res

  16. SOLUBILITY, SORPTION AND TRANSPORT OF HYDROPHOBIC ORGANIC CHEMICALS IN COMPLEX MIXTURES

    Science.gov (United States)

    The research summarized in this report focuses on the effects which organic cosolvents have on the sorption and mobility of organic contaminants. This work was initiated In an effort to improve our understanding of the environmental consequences associated with complex mixtur...

  17. Complexity of matrix organization and problems caused by its inadequate implementation

    Directory of Open Access Journals (Sweden)

    Janićijević Nebojša

    2007-01-01

    Full Text Available Matrix organization model is a sophisticated structure intended to combine both the efficiency and effectiveness of the functional and the product/service/customer/area dimensions. From the moment it was introduced in practice, this organizational architecture was accepted with enthusiasm, because it represented a complex organizational response adequate to the conditions which most of the companies in the world have been facing since 1970s. Although matrix organization is not a novelty, it is still a controversial model of organization design. The aim of this paper is to provide a deeper insight into the causes and effects of organizational misfits which appear in the implementation phase of three-dimensional matrix organization, as well as to offer some practical recommendations for managers on how to improve their capacities for successful management of complex matrix organization architecture in their organizations.

  18. Application of statistical physics approaches to complex organizations

    Science.gov (United States)

    Matia, Kaushik

    The first part of this thesis studies two different kinds of financial markets, namely, the stock market and the commodity market. Stock price fluctuations display certain scale-free statistical features that are not unlike those found in strongly-interacting physical systems. The possibility that new insights can be gained using concepts and methods developed to understand scale-free physical phenomena has stimulated considerable research activity in the physics community. In the first part of this thesis a comparative study of stocks and commodities is performed in terms of probability density function and correlations of stock price fluctuations. It is found that the probability density of the stock price fluctuation has a power law functional form with an exponent 3, which is similar across different markets around the world. We present an autoregressive model to explain the origin of the power law functional form of the probability density function of the price fluctuation. The first part also presents the discovery of unique features of the Indian economy, which we find displays a scale-dependent probability density function. In the second part of this thesis we quantify the statistical properties of fluctuations of complex systems like business firms and world scientific publications. We analyze class size of these systems mentioned above where units agglomerate to form classes. We find that the width of the probability density function of growth rate decays with the class size as a power law with an exponent beta which is universal in the sense that beta is independent of the system studied. We also identify two other scaling exponents, gamma connecting the unit size to the class size and gamma connecting the number of units to the class size, where products are units and firms are classes. Finally we propose a generalized preferential attachment model to describe the class size distribution. This model is successful in explaining the growth rate and class

  19. Recurrence and interoccurrence behavior of self-organized complex phenomena

    Directory of Open Access Journals (Sweden)

    S. G. Abaimov

    2007-08-01

    Full Text Available The sandpile, forest-fire and slider-block models are said to exhibit self-organized criticality. Associated natural phenomena include landslides, wildfires, and earthquakes. In all cases the frequency-size distributions are well approximated by power laws (fractals. Another important aspect of both the models and natural phenomena is the statistics of interval times. These statistics are particularly important for earthquakes. For earthquakes it is important to make a distinction between interoccurrence and recurrence times. Interoccurrence times are the interval times between earthquakes on all faults in a region whereas recurrence times are interval times between earthquakes on a single fault or fault segment. In many, but not all cases, interoccurrence time statistics are exponential (Poissonian and the events occur randomly. However, the distribution of recurrence times are often Weibull to a good approximation. In this paper we study the interval statistics of slip events using a slider-block model. The behavior of this model is sensitive to the stiffness α of the system, α=kC/kL where kC is the spring constant of the connector springs and kL is the spring constant of the loader plate springs. For a soft system (small α there are no system-wide events and interoccurrence time statistics of the larger events are Poissonian. For a stiff system (large α, system-wide events dominate the energy dissipation and the statistics of the recurrence times between these system-wide events satisfy the Weibull distribution to a good approximation. We argue that this applicability of the Weibull distribution is due to the power-law (scale invariant behavior of the hazard function, i.e. the probability that the next event will occur at a time t0 after the last event has a power-law dependence on t0. The Weibull distribution is the only distribution that

  20. Delivery of complex organic compounds from evolved stars to the solar system.

    Science.gov (United States)

    Kwok, Sun

    2011-12-01

    Stars in the late stages of evolution are able to synthesize complex organic compounds with aromatic and aliphatic structures over very short time scales. These compounds are ejected into the interstellar medium and distributed throughout the Galaxy. The structures of these compounds are similar to the insoluble organic matter found in meteorites. In this paper, we discuss to what extent stellar organics has enriched the primordial Solar System and possibly the early Earth.

  1. Complexity and Information: Measuring Emergence, Self-organization, and Homeostasis at Multiple Scales

    CERN Document Server

    Gershenson, Carlos

    2012-01-01

    Concepts used in the scientific study of complex systems have become so widespread that their use and abuse has led to ambiguity and confusion in their meaning. In this paper we use information theory to provide abstract and concise measures of complexity, emergence, self-organization, and homeostasis. The purpose is to clarify the meaning of these concepts with the aid of the proposed formal measures. In a simplified version of the measures (focussing on the information produced by a system), emergence becomes the opposite of self-organization, while complexity represents their balance. We use computational experiments on random Boolean networks and elementary cellular automata to illustrate our measures at multiple scales.

  2. A literature review of interaction of oxidized uranium species and uranium complexes with soluble organic matter

    Science.gov (United States)

    Jennings, Joan K.; Leventhal, J.S.

    1978-01-01

    Organic material is commonly found associated with uranium ores in sandstone-type deposits. This review of the literature summarizes the classes and separations of naturally occurring organic material but the emphasis is on soluble organic species. The main class of materials of interest is humic substances which are high-molecular-weight complex molecules that are soluble in alkaline solution. These humic substances are able to solubilize (make soluble) minerals and also to complex [by ion exchange and (or) chelation] many cations. The natural process of soil formation results in both mineral decomposition and element complexing by organic species. Uranium in solution, such as ground water, can form many species with other elements or complexes present depending on Eh and pH. In natural systems (oxidizing Eh, pH 5-9) the uranium is usually present as a complex with hydroxide or carbonate. Thermodynamic data for these species are presented. Interacting metals and organic materials have been observed in nature and studied in the laboratory by many workers in diverse scientific disciplines. The results are not easily compared. Measurements of the degree of complexation are reported as equilibrium stability constant determinations. This type of research has been done for Mn, Fe, Cu, Zn, Pb, Ni, Co, Mg, Ca, Al, and to a limited degree for U. The use of Conditional Stability Constants has given quantitative results in some cases. The methods utilized in experiments and calculations are reviewed.

  3. The animal sensorimotor organization: a challenge for the environmental complexity thesis.

    Science.gov (United States)

    Keijzer, Fred; Arnellos, Argyris

    2017-01-01

    Godfrey-Smith's environmental complexity thesis (ECT) is most often applied to multicellular animals and the complexity of their macroscopic environments to explain how cognition evolved. We think that the ECT may be less suited to explain the origins of the animal bodily organization, including this organization's potentiality for dealing with complex macroscopic environments. We argue that acquiring the fundamental sensorimotor features of the animal body may be better explained as a consequence of dealing with internal bodily-rather than environmental complexity. To press and elucidate this option, we develop the notion of an animal sensorimotor organization (ASMO) that derives from an internal coordination account for the evolution of early nervous systems. The ASMO notion is a reply to the question how a collection of single cells can become integrated such that the resulting multicellular organization becomes sensitive to and can manipulate macroscopic features of both the animal body and its environment. In this account, epithelial contractile tissues play the central role in the organization behind complex animal bodies. In this paper, we relate the ASMO concept to recent work on epithelia, which provides empirical evidence that supports central assumptions behind the ASMO notion. Second, we discuss to what extent the notion applies to basic animal architectures, exemplified by sponges and jellyfish. We conclude that the features exhibited by the ASMO are plausibly explained by internal constraints acting on and within this multicellular organization, providing a challenge for the role the ECT plays in this context.

  4. Adsorption,Oxdation and Complexation of Water—So—Luble Organic Substances in Soils

    Institute of Scientific and Technical Information of China (English)

    DINGCHANG-PU

    1995-01-01

    A greater part of water-soluble organic substances,accounting for 60-70% of the total,could be adsorbed by soils,which included strongly and weekly reducing substances,positively and negatively charged substances and substances containing amido.There existed a tendency of decrease in adsorption of the negatively charged organic substances by the soil from South China to North China,with expression as Coulombian adsorption.A simulatneous reduction of iron and manganese appeared with clear voltammertric behaviours upon oxidation of water-soluble organic substances,Complexation of organic ligands with ferrous iron and manganous manganee was proved by differential pulse voltammetric method,with disappearance of oxidation peaks of ferrous iron and manganous manganese at 0.00 V and 0.35 V and occurrence of Fe2+-complex and Mn2+-complex at 0l75 V and 1.2V respectively,whose peak potentials shifted backward.

  5. Self-organization in Complex Systems The Past, Present, and Future of Synergetics : International Symposium

    CERN Document Server

    Pelster, Axel

    2016-01-01

    This proceedings volume contains talks and poster presentations from the International Symposium "Self-Organization in Complex Systems: The Past, Present, and Future of Synergetics", which took place at Hanse-Wissenschaftskolleg, an Institute of Advanced Studies, in Delmenhorst, Germany, during the period November 13 - 16, 2012. The Symposium was organized in honour of Hermann Haken, who celebrated his 85th birthday in 2012. With his fundamental theory of Synergetics he had laid the mathematical-physical basis for describing and analyzing self-organization processes in a diversity of fields of research. The quest for common and universal principles of self-organization in complex systems was clearly covered by the wide range of interdisciplinary topics reported during the Symposium. These extended from complexity in classical systems and quantum systems over self-organisation in neuroscience even to the physics of finance. Moreover, by combining a historical view with a present status report the Symposium con...

  6. Self Organization as a Tool for Complex System Understanding in a Changing World

    Science.gov (United States)

    Shachak, m.

    2012-04-01

    Recent developments in the field of complex systems provide new frontiers for the study of ecological organization and reorganization in a changing world. One of the hallmarks of complexity is that global phenomena emerge out of local interactions that affect global properties and behavior of systems. Non-linear interactions provide important sources for multi-level order that emerges from self-organization. Organization is defined as the process of forming non-random patterns that characterize individuals, species, ecosystems and landscapes. Reorganization refers to pattern modulation driven by internal and/or external processes. In ecological systems four global phenomena of self-organization result from local interactions among individual (population level), species (community level), organisms - environment (ecosystem level) and ecosystems (landscape level). These types of ecological interaction, which operate in all ecological systems, will form networks of interactions resulting in a self-organized complex adaptive system The challenge is to discover the principles that govern intra- and inter-level organization and reorganization as adaptive mechanisms. On the population and community levels, local interactions determine the organization of individuals and species assemblages, i.e. the distribution of individuals and species and their abundance in time and space. On the ecosystem and landscape levels, the global phenomenona are the organization of energy, materials and information fluxes. On these levels order appears in the form of functional properties such as nutrient cycling or biotically-induced mosaics of patches such as vegetation patterns in arid and semi-arid lands. All forms of organization are linked and important for understanding the functioning of ecological systems. In my presentation I will demonstrate the principles that govern intra- and inter-level organization and reorganization of ecological systems in water limited systems. Water

  7. Dynamic spatial organization of multi-protein complexes controlling microbial polar organization, chromosome replication, and cytokinesis

    Energy Technology Data Exchange (ETDEWEB)

    McAdams, Harley; Shapiro, Lucille; Horowitz, Mark; Andersen, Gary; Downing, Kenneth; Earnest, Thomas; Ellisman, Mark; Gitai, Zemer; Larabell, Carolyn; Viollier, Patrick

    2012-06-18

    This project was a program to develop high-throughput methods to identify and characterize spatially localized multiprotein complexes in bacterial cells. We applied a multidisciplinary systems engineering approach to the detailed characterization of localized multi-protein structures in vivo a problem that has previously been approached on a fragmented, piecemeal basis.

  8. Energetic Limitations on Microbial Respiration of Organic Compounds using Aqueous Fe(III) Complexes

    Science.gov (United States)

    Naughton, H.; Fendorf, S. E.

    2015-12-01

    Soil organic matter constitutes up to 75% of the terrestrial carbon stock. Microorganisms mediate the breakdown of organic compounds and the return of carbon to the atmosphere, predominantly through respiration. Microbial respiration requires an electron acceptor and an electron donor such as small fatty acids, organic acids, alcohols, sugars, and other molecules that differ in oxidation state of carbon. Carbon redox state affects how much energy is required to oxidize a molecule through respiration. Therefore, different organic compounds should offer a spectrum of energies to respiring microorganisms. However, microbial respiration has traditionally focused on the availability and reduction potential of electron acceptors, ignoring the organic electron donor. We found through incubation experiments that the organic compound serving as electron donor determined how rapidly Shewanella putrefaciens CN32 respires organic substrate and the extent of reduction of the electron acceptor. We simulated a range of energetically favorable to unfavorable electron acceptors using organic chelators bound to Fe(III) with equilibrium stability constants ranging from log(K) of 11.5 to 25.0 for the 1:1 complex, where more stable complexes are less favorable for microbial respiration. Organic substrates varied in nominal oxidation state of carbon from +2 to -2. The most energetically favorable substrate, lactate, promoted up to 30x more rapid increase in percent Fe(II) compared to less favorable substrates such as formate. This increased respiration on lactate was more substantial with less stable Fe(III)-chelate complexes. Intriguingly, this pattern contradicts respiration rate predicted by nominal oxidation state of carbon. Our results suggest that organic substrates will be consumed so long as the energetic toll corresponding to the electron donor half reaction is counterbalanced by the energy available from the electron accepting half reaction. We propose using the chemical

  9. Influence of dissolved organic matter on the complexation of mercury under sulfidic conditions.

    Science.gov (United States)

    Miller, Carrie L; Mason, Robert P; Gilmour, Cynthia C; Heyes, Andrew

    2007-04-01

    The complexation of Hg under sulfidic conditions influences its bioavailability for microbial methylation. Neutral dissolved Hg-sulfide complexes are readily available to Hg-methylating bacteria in culture, and thermodynamic models predict that inorganic Hg-sulfide complexes dominate dissolved Hg speciation under natural sulfidic conditions. However, these models have not been validated in the field. To examine the complexation of Hg in natural sulfidic waters, octanol/water partitioning methods were modified for use under environmentally relevant conditions, and a centrifuge ultrafiltration technique was developed. These techniques demonstrated much lower concentrations of dissolved Hg-sulfide complexes than predicted. Furthermore, the study revealed an interaction between Hg, dissolved organic matter (DOM), and sulfide that is not captured by current thermodynamic models. Whereas Hg forms strong complexes with DOM under oxic conditions, these complexes had not been expected to form in the presence of sulfide because of the stronger affinity of Hg for sulfide relative to its affinity for DOM. The observed interaction between Hg and DOM in the presence of sulfide likely involves the formation of a DOM-Hg-sulfide complex or results from the hydrophobic partitioning of neutral Hg-sulfide complexes into the higher-molecular-weight DOM. An understanding of the mechanism of this interaction and determination of complexation coefficients for the Hg-sulfide-DOM complex are needed to adequately assess how our new finding affects Hg bioavailability, sorption, and flux.

  10. Determination of complexation capacity of trace metal-organic in natural water

    Institute of Scientific and Technical Information of China (English)

    1999-01-01

    The complexation capacity for heavy metals (Cu, Cd, Pb) were determined by anodic stripping voltammetry in South China Sea, Hulun Lake and Wuliang Suhai. The conditional stability constants and complexation capacity index were calculated. The data showed that the complexation capacity of the Hulun Lake was greater than that of seawater and Wuliang Suhai. The sequence of complexation capacity is C (CuL) > C (CdL) > C (PbL), the values are in concord with results of analysis on dissolved organic carbon. The conditional stability constants were in an opposite sequence: K (CuL) < K(CdL) < K (PbL). When logK are similar, the greater the complexation capacity, the greater the complexation capacity index.

  11. Organization and functional roles of the central complex in the insect brain.

    Science.gov (United States)

    Pfeiffer, Keram; Homberg, Uwe

    2014-01-01

    The central complex is a group of modular neuropils across the midline of the insect brain. Hallmarks of its anatomical organization are discrete layers, an organization into arrays of 16 slices along the right-left axis, and precise inter-hemispheric connections via chiasmata. The central complex is connected most prominently with the adjacent lateral complex and the superior protocerebrum. Its developmental appearance corresponds with the appearance of compound eyes and walking legs. Distinct dopaminergic neurons control various forms of arousal. Electrophysiological studies provide evidence for roles in polarized light vision, sky compass orientation, and integration of spatial information for locomotor control. Behavioral studies on mutant and transgenic flies indicate roles in spatial representation of visual cues, spatial visual memory, directional control of walking and flight, and place learning. The data suggest that spatial azimuthal directions (i.e., where) are represented in the slices, and cue information (i.e., what) are represented in different layers of the central complex.

  12. Organic versus hybrid coacervate complexes: co-assembly and adsorption properties

    Science.gov (United States)

    Qi, Ling; Chapel, Jean-Paul; Castaing, Jean-Christophe; Fresnais, Jérôme; Berret, Jean-François

    We report the co-assembly and adsorption properties of coacervate complexes made from polyelectrolyte-neutral block copolymers and oppositely charged nanocolloids. The nanocolloids put under scrutiny were ionic surfactant micelles and highly charged 7 nm cerium oxide (CeO2) nanoparticles. Static and dynamic light scattering was used to investigate the microstructure and stability of the organic and hybrid complexes. The microstructure of the CeO2-based complexes was resolved using cryogenic transmission electronic microscopy (Cryo-TEM), and it revealed that the cores were clusters made from densely packed nanoparticles. In the concentration range of interest, c = 10-4 - 1 wt. %, the surfactant-based complexes were shown to exhibit a critical association concentration (cac) whereas the nanoparticle-polymer hybrids did not. The adsorption properties of the same complexes were investigated above the cac by stagnation point adsorption reflectometry. The adsorbed amount was measured as a function of time for polymers and complexes using anionically charged silica and hydrophobic poly(styrene) substrates. It was found that all complexes adsorbed readily on both types of substrates up to a level of 1 - 2 mg m-2 at stationary state. Upon rinsing however, the adsorbed layer was removed for the surfactant-based systems, but not for the cerium oxide clusters. As for the solution properties, these finding were interpreted in terms of a critical association concentrations which are very different for organic and hybrid complexes.

  13. Predictable transcriptome evolution in the convergent and complex bioluminescent organs of squid

    Science.gov (United States)

    Pankey, M. Sabrina; Minin, Vladimir N.; Imholte, Greg C.; Suchard, Marc A.; Oakley, Todd H.

    2014-01-01

    Despite contingency in life’s history, the similarity of evolutionarily convergent traits may represent predictable solutions to common conditions. However, the extent to which overall gene expression levels (transcriptomes) underlying convergent traits are themselves convergent remains largely unexplored. Here, we show strong statistical support for convergent evolutionary origins and massively parallel evolution of the entire transcriptomes in symbiotic bioluminescent organs (bacterial photophores) from two divergent squid species. The gene expression similarities are so strong that regression models of one species’ photophore can predict organ identity of a distantly related photophore from gene expression levels alone. Our results point to widespread parallel changes in gene expression evolution associated with convergent origins of complex organs. Therefore, predictable solutions may drive not only the evolution of novel, complex organs but also the evolution of overall gene expression levels that underlie them. PMID:25336755

  14. The organization of the Golgi complex and microtubules in skeletal muscle is fiber type-dependent

    DEFF Research Database (Denmark)

    Ralston, E; Lu, Z; Ploug, Thorkil

    1999-01-01

    Skeletal muscle has a nonconventional Golgi complex (GC), the organization of which has been a subject of controversy in the past. We have now examined the distribution of the GC by immunofluorescence and immunogold electron microscopy in whole fibers from different rat muscles, both innervated...... of the hindlimb muscles, GC elements as well as microtubules converge toward a common pattern, that of the slow-twitch fibers, in all fibers. Our data suggest that innervation regulates the distribution of microtubules, which in turn organize the Golgi complex according to muscle fiber type....

  15. Complexation of europium(III) by organic extracts from Callovo-Oxfordian argillites

    Energy Technology Data Exchange (ETDEWEB)

    Brevet, L.; Grasset, L.; Ambles, A. [Univ. de Poitiers, Synthese et Reactivi te des Substances Naturelles, CNRS UMR 6514, 86022 Poitiers (France); Reiller, P.; Claret, F.; Amekraz, B.; Moulin, C. [CEA, CE Saclay, CEA/DEN/DANS/DPC/SECR, Labo ratoire de Speciation des Radionucleides et des Molecules, F-91191 Gif-sur-Yvette (France)

    2007-06-15

    The complexation behaviour of organic extracts obtained after acid alteration of Callovo-Oxfordian argillites toward europium (III) is studied in time resolved laser induced spectrofluorimetry. The presence of fluoride ions in one extract, originated from the dissolution of remaining silicates in HCl/HF, precludes the correct study. Nevertheless, the dialysis of the extract at 500 Da permits to obtain a clearer evolution of the complexation pattern. The fluorescence spectrum and decay are strikingly different the ones obtained on alkaline degradation products of the Callovo-Oxfordian argillite, and resemble more to a small organic molecule pattern.

  16. Effect of atmospheric organic complexation on iron-bearing dust solubility

    Directory of Open Access Journals (Sweden)

    R. Paris

    2013-05-01

    Full Text Available Recent studies reported that the effect of organic complexation may be a potentially important process to be considered by models estimating atmospheric iron flux to the ocean. In this study, we investigated this process effect by a series of dissolution experiments on iron-bearing dust in the presence or the absence of various organic compounds (acetate, formate, oxalate, malonate, succinate, glutarate, glycolate, lactate, tartrate and humic acid as an analogue of humic like substances, HULIS typically found in atmospheric waters. Only 4 of tested organic ligands (oxalate, malonate, tartrate and humic acid caused an enhancement of iron solubility which was associated with an increase of dissolved Fe(II concentrations. For all of these organic ligands, a positive linear dependence of iron solubility to organic concentrations was observed and showed that the extent of organic complexation on iron solubility decreased in the following order: oxalate >malonate = tartrate > humic acid. This was attributed to the ability of electron donors of organic ligands and implies a reductive ligand-promoted dissolution. This study confirms that among the known atmospheric organic binding ligands of Fe, oxalate is the most effective ligand promoting dust iron solubility and showed, for the first time, the potential effect of HULIS on iron dissolution under atmospheric conditions.

  17. Helical nanostructure of tubular metal-organic complex synthesized by sonochemical process

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Tubular metal-organic complex (C2H9N2)2(C2H10N2)0.5[MoO2(OC6H4O)2] has been synthesized. The title complex crystallizes in the tetragonal system, space group P4(2)/n with a = 25.214(8), c = 7.484(4) ?, and Z = 8. The X-ray structural analysis of the complex reveals tube-like framework which is stabilized by hydrogen bond. Chiral anions [Mo(V)O2(OC6H4O)2]3? of the complex have two types of isomers(λ /δ configuration). Helical nanostructure of this metal-organic complex was formed using a sonochemical method. Sonocation may lead to the transformation from the bulk tubular complex to the helical nanostructure. The as-synthesized nanohelices were all double-stranded and left- and right-handed nanohelices were both formed. The helical nanostructure is a new morphology of inorganic-organic hybrid materials on the nanoscale level and the exact formation mechanism of these helices still needs further investigation.

  18. Complexity and Self-Organized Criticality of Solid Earth System(Ⅰ)

    Institute of Scientific and Technical Information of China (English)

    1998-01-01

    The author puts forward the proposition of "Complexity and Self-Organized Criticality of Solid Earth System" in the light of: (1) the science of complexity studies the mechanisms of emergence of complexity and is the science of the 21st century, (2) the study of complexity of the earth system would be one of the growing points occupying a strategic position in the development of geosciences in the 21st century. By the proposition we try to cogitate from a new viewpoint the ancient yet ever-new solid earth system. The author abstracts the fundamental problem of the solid earth system from the essence of the generalized geological systems and processes which reads: "the complexity and self-organized criticality of the global nature, structure and dynamical behavior of the whole solid earth system emerging from the multiple coupling and superposition of non-linear interactions among the multicomponents of the earths material and the multiple generalized geological (geological, geophysical, and geochemical) processes". Starting from this cognizance the author proposes eight major themes and the methodology of researches on the complexity and self-organized criticality of the solid earth system.

  19. Complexity and Self-Organized Criticality of Solid Earth System(Ⅱ)

    Institute of Scientific and Technical Information of China (English)

    1998-01-01

    The author puts forward the proposition of "Complexity and Self-Organized Criticality of Solid Earth System" in the light of: (1) the science of complexity studies the mechanisms of emergence of complexity and is the science of the 21st century, (2) the study of complexity of the earth system would be one of the growing points occupying a strategic position in the development of geosciences in the 21st century. By the proposition we try to cogitate from a new viewpoint the ancient yet ever-new solid earth system. The author abstracts the fundamental problem of the solid earth system from the essence of the generalized geological systems and processes which reads: "the complexity and self-organized criticality of the global nature, structure and dynamical behavior of the whole solid earth system emerging from the multiple coupling and superposition of non-linear interactions among the multicomponents of the earths material and the multiple generalized geological (geological, geophysical, and geochemical) processes". Starting from this cognizance, the author proposes eight major themes and the methodology of researches on the complexity and self-organized criticality of the solid earth system.

  20. Exploring molecular complexity with ALMA (EMoCA): Deuterated complex organic molecules in Sagittarius B2(N2)

    Science.gov (United States)

    Belloche, A.; Müller, H. S. P.; Garrod, R. T.; Menten, K. M.

    2016-03-01

    Context. Deuteration is a powerful tracer of the history of the cold prestellar phase in star-forming regions. Apart from methanol, little is known about deuterium fractionation of complex organic molecules in the interstellar medium, especially in regions forming high-mass stars. Aims: Our goal is to detect deuterated complex organic molecules toward the high mass star-forming region Sagittarius B2 (Sgr B2) and derive the level of deuteration for these molecules. Methods: We use a complete 3-mm spectral line survey performed with the Atacama Large Millimeter/submillimeter Array (ALMA) to search for deuterated complex organic molecules toward the hot molecular core Sgr B2(N2). We constructed population diagrams and integrated intensity maps to fit rotational temperatures and emission sizes for each molecule. Column densities are derived by modeling the full spectrum under the assumption of local thermodynamic equilibrium. We compare the results to predictions of two astrochemical models that treat the deuteration process. Results: We report the detection of CH2DCN toward Sgr B2(N2) with a deuteration level of 0.4%, and tentative detections of CH2DOH, CH2DCH2CN, the chiral molecule CH3CHDCN, and DC3N with levels in the range 0.05%-0.12%. A stringent deuteration upper limit is obtained for CH3OD (B2(N2) are also lower than in Orion KL by a factor of a few up to a factor ten. Conclusions: The discrepancy between the deuteration levels of Sgr B2(N2) and the predictions of chemical models, and the difference between Sgr B2(N2) and Orion KL may both be due to the higher kinetic temperatures that characterize the Galactic center region compared to nearby clouds. Alternatively, they may result from a lower overall abundance of deuterium itself in the Galactic center region by up to a factor ten.

  1. New organic-inorganic hybrid compounds constructed from polyoxometalates and transition metal mixed-organic-ligand complexes.

    Science.gov (United States)

    Hu, Yang-Yang; Zhang, Ting-Ting; Zhang, Xiao; Zhao, De-Chuan; Cui, Xiao-Bing; Huo, Qi-Sheng; Xu, Ji-Qing

    2016-02-14

    Five new organic-inorganic hybrid compounds based on different polyoxoanions [HxGeW12O40](n-) or [H3As2W18O62](3-) (x = 0, 2; n = 4, 2), namely [Cu3(2,2'-bpy)3(inic)(OH)(H2O)][GeW12O40]·1.5H2O (1), [Cu2(phen)2(μ2-Cl)2(inic)]2[H2GeW12O40]·2H2O (2), [Cu2(phen)2(μ2-Cl)Cl(nic)]2[H2GeW12O40] (3), [Cu2(2,2'-bpy)2(hnic)Cl]2[H2GeW12O40] (4), [Cu(phen)(inic)H2O][Cu2(phen)2(inic)2(H2O)][H3As2W18O62]·3H2O (5) (inic = isonicotinic acid, nic = nicotinic acid, hnic = 2-hydroxy-nicotinic acid, 2,2'-bpy = 2,2'-bipyridine, phen = 1,10-phenanthroline), have been synthesized and characterized by IR, UV-Vis, XRD, cyclic voltammetric measurements and single crystal X-ray diffraction analysis. Single crystal X-ray analysis reveals that compound 1 is isomorphous and isostructural with a compound reported by us recently, the main difference between the two is the heteroatom of the polyoxoanions in the two compounds. Compound 2 is a supramolecular structure constructed from polyoxoanions and transition metal mixed-organic-ligand complexes. Compound 3 is a novel polyoxoanion bi-supported transition metal mixed-organic-ligand complex. Compound 4 is a 1-D chain structure constructed from polyoxoanions and transition metal mixed-organic-ligand complexes. The photodegradation properties of compounds 1-5 have been analyzed.

  2. Efficient organic light-emitting devices with platinum-complex emissive layer

    KAUST Repository

    Yang, Xiaohui

    2011-01-18

    We report efficient organic light-emitting devices having a platinum-complex emissive layer with the peak external quantum efficiency of 17.5% and power efficiency of 45 lm W−1. Variation in the device performance with platinum-complex layer thickness can be attributed to the interplay between carrier recombination and intermolecular interactions in the layer. Efficient white devices using double platinum-complex layers show the external quantum efficiency of 10%, the Commission Internationale d’Énclairage coordinates of (0.42, 0.41), and color rendering index of 84 at 1000 cd m−2.

  3. Emergent self-organized complex network topology out of stability constraints.

    Science.gov (United States)

    Perotti, Juan I; Billoni, Orlando V; Tamarit, Francisco A; Chialvo, Dante R; Cannas, Sergio A

    2009-09-04

    Although most networks in nature exhibit complex topologies, the origins of such complexity remain unclear. We propose a general evolutionary mechanism based on global stability. This mechanism is incorporated into a model of a growing network of interacting agents in which each new agent's membership in the network is determined by the agent's effect on the network's global stability. It is shown that out of this stability constraint complex topological properties emerge in a self-organized manner, offering an explanation for their observed ubiquity in biological networks.

  4. Structure Characterization and Properties of Metal-Surfactant Complexes Dispersed in Organic Solvents.

    Science.gov (United States)

    de la Iglesia, Pablo; Jaeger, Vance W; Xi, Yuyin; Pfaendtner, Jim; Pozzo, Lilo D

    2015-08-25

    This work describes the synthesis and characterization of metal-surfactant complexes. Dioctyl sulfosuccinate and dodecylbenzenesulfonate are associated with multivalent aluminum, iron, and vanadium ions using an ion exchange reaction. The metal complexes are dispersible in various organic solvents. In solvents with low polarity, the complexes form "inverse" macromolecular structures with multiple metal ions. In contrast, in alcohols, the complex size is reduced, showing a more disperse conformation. The metal and surfactant ions are still strongly bonded to each other in all the solvents probed. Small-angle X-ray and neutron scattering (SAXS and SANS) are used to characterize the structures. Simultaneous fitting of neutron and X-ray scattering spectra is performed in order to obtain an accurate description of the system. Scattering results are also validated by performing molecular dynamics (MD) simulations. The conductive and electrochemical properties of the complexes in solution are also evaluated. The dispersion of metal-organic complexes significantly increases electric conductivity, and some metal ions in the core of the complexes are shown to be electrochemically active in apolar solvents.

  5. Organized Crime as a Dynamic and Complex Challenge Faced by the Modern Society

    Directory of Open Access Journals (Sweden)

    Nermin Halilagic

    2011-08-01

    Full Text Available Organized crime is a complex and in many ways specific criminal phenomenon, now considered to be the most dangerous form of crime. It appeared relatively recently in both Bosnia and Herzegovina and the other republics of the former Yugoslavia. This work reviews the level of danger organized crime has presented to society through history. The author of the paper also refers to the characteristics of organized crime and highlights the presence of diferent both international and domestic opinions on the definition of the concept of organized crime, and the fact that today there is still no universal definition of the content of this concept. Also mentioned are criminal of­fenses related to organized crime.

  6. Leadership in project-based organizations: Dealing with complex and paradoxical demands

    NARCIS (Netherlands)

    Havermans, L.A.

    2014-01-01

    Despite the overwhelming amount of attention given by scientists and practitioners to leadership, most theories of leadership have been developed to explain the role of leadership in traditional line organizations, not to explain how leaders deal with complex and paradoxical demands in project-based

  7. [Removal of different species of red tide organisms with an effective clay-complex system].

    Science.gov (United States)

    Song, Xiuxian; Yu, Zhiming; Gao, Yonghui

    2003-07-01

    An effective clay-complex system was composed on the base of clay by added other two components A and B. Different red tide species, such as Scrippsiella trochoidea, Amphidinium carterae and Heterosigma akashiwo, were coagulated by this clay-complex system, and the optimum conditions for removal red tide organisms were obtained by means of orthogonal test. The results showed that clay was the most important factors in this complex system to coagulate these three organisms. The removal efficiency on three species was in order of Scrippsiella trochoidea > Amphidinium carterae > Heterosigma akashiwo. At the same time, a preliminary study of mortality rate on Penaeus japonicus (length between 1.0 to 1.5 cm) was conducted with this system, and the result of toxic test revealed that the mortality of aquaculture shrimp in control group (nothing added) reached to 80% after 96 h, however, while that of other three groups which added clay and other two components A and B, was below 40%. Thus, it implied that the addition of clay would be harmless to Penaeus japonicas. Furthermore, suitable concentration of components A and B was not harmful for the aquaculture shrimp, but increased the removal efficiency of red tide organisms. The preliminary results showed that this clay-complex system would be available in the removal of red tide organisms in filed.

  8. Raman tensor and domain structure study of single-crystal-like epitaxial films of CaCu3Ti4O12 grown by pulsed laser deposition.

    Science.gov (United States)

    Ahlawat, Anju; Mishra, Dileep K; Sathe, V G; Kumar, Ravi; Sharma, T K

    2013-01-16

    The local domain structure of a strain free, 150 nm thick, epitaxially grown single crystalline thin film of CaCu(3)Ti(4)O(12) is probed by polarized Raman spectroscopy. The polarization dependence of the Raman intensities of the observed bands as a function of varying angle between the domain axes and the polarization vector of the scattered laser photon is measured. Theoretical formulations involving the Raman tensor are presented, which enable determination of the domain structure from the observed polarized Raman spectra, and a single-crystal-like domain structure is found. The Raman tensor elements and domain orientation direction were determined by fitting the observed Raman intensities with theoretical calculations and by carrying out Raman mapping of the film. Our data show an absence of twin domain structure and twin domain boundaries in the single-crystal-like epitaxial thin films of CaCu(3)Ti(4)O(12).

  9. Exploring Molecular Complexity with ALMA (EMoCA): Deuterated complex organic molecules in Sagittarius B2(N2)

    CERN Document Server

    Belloche, A; Garrod, R T; Menten, K M

    2015-01-01

    Deuteration is a powerful tracer of the history of the cold prestellar phase in star forming regions. Apart from methanol, little is known about deuterium fractionation of complex organic molecules in the interstellar medium, especially in high mass star forming regions. We use a spectral line survey performed with ALMA to search for deuterated complex organic molecules toward the hot molecular core Sgr B2(N2). Population diagrams and integrated intensity maps are constructed to fit rotational temperatures and emission sizes for each molecule. Column densities are derived by modelling the full spectrum under the LTE assumption. The results are compared to predictions of two astrochemical models that treat the deuteration process. We report the detection of CH2DCN toward Sgr B2(N2) with a deuteration level of 0.4%, and tentative detections of CH2DOH, CH2DCH2CN, the chiral molecule CH3CHDCN, and DC3N with levels in the range 0.05%-0.12%. A stringent deuteration upper limit is obtained for CH3OD (<0.07%). Upp...

  10. Microdisc gel electrophoresis in sodium dodecyl sulfate of organic material from rat otoconial complexes

    Science.gov (United States)

    Ross, M. D.; Pote, K. G.; Rarey, K. E.; Verma, L. M.

    1981-01-01

    The gravity receptors of all vertebrates utilize a 'test mass' consisting of a complex arrangement of mineral and organic substance that lies over the sensory receptor areas. In most vertebrates, the mineral is a polymorph of calcium carbonate in the form of minute, single crystals called otoconia. An investigation is conducted to determine the number of proteins in otoconial complexes and their molecular weights. The investigation makes use of a microdisk gel electrophoresis method reported by Gainer (1971). The most important finding of the reported research is that analysis of the proteins of the organic material of the otoconial complexes is possible when sensitive microanalytical methods are employed. Further modification of the basic technique employed and the inclusion of other sensitive staining methods should mean that, in the future, protein separation by molecular weight will be possible in sample pools containing only two otoconial masses.

  11. Silver Nanoparticles Synthesized by Decomposition of a Silver Organic Complex with Valence Tautomerism and Their Properties

    Science.gov (United States)

    Harbatsevich, H. I.; Loginova, N. V.; Koval‧chuk, T. V.; Osipovich, N. P.; Gres, A. T.

    2017-03-01

    Features of the formation of silver nanoparticles (Ag-NPs) via intramolecular redox transformation of the Ag(I) complex of 4,6-di-tert-butyl-2,3-dihydroxybenzaldehyde isonicotinoylhydrazone in organic solvents with donor numbers DN > 19 were studied. The stability of the organic sols depended on the nature of the dispersion medium and the presence of oxygen and water in it. The physical chemistry and morphology of the Ag-NP in the organic sol were investigated using molecular absorption spectroscopy, transmission electron microscopy, and atomic force microscopy. The silver sol consisted of spherical Ag-NPs 5-20 nm in size with a characteristic absorption band near 440 nm. It was found that the silver complex with valence tautomerism was a promising precursor for Ag-NPs. The synthesized Ag-NPs showed high antimicrobial activity compared with standard antibiotics and Ag-containing agents (MIC = 0.007 μmol/mL).

  12. Nucleophilic reactivity and electrocatalytic reduction of halogenated organic compounds by nickel o-phenylenedioxamidate complexes.

    Science.gov (United States)

    Das, Siva Prasad; Ganguly, Rakesh; Li, Yongxin; Soo, Han Sen

    2016-09-14

    A growing number of halogenated organic compounds have been identified as hazardous pollutants. Although numerous advanced oxidative processes have been developed to degrade organohalide compounds, reductive and nucleophilic molecular approaches to dehalogenate organic compounds have rarely been reported. In this manuscript, we employ nickel(ii)-ate complexes bearing the o-phenylenebis(N-methyloxamide) (Me2opba) tetraanionic ligand as nucleophilic reagents that can react with alkyl halides (methyl up to the bulky isobutyl) by O-alkylation to give their respective imidate products. Four new nickel(ii) complexes have been characterized by X-ray crystallography, and the salient structural parameters and FT-IR vibrational bands (∼1655 cm(-1)) concur with their assignment as the imidate tautomeric form. To the best of our knowledge, this is the first report on the nucleophilic reactivity of Ni(II)(Me2opba) with halogenated organic compounds. The parent nickel(ii) Me2opba complex exhibits reversible electrochemical oxidation and reduction behavior. As a proof of concept, Ni(II)(Me2opba) and its alkylated congeners were utilized for the electrocatalytic reduction of chloroform, as a representative, simple polyhalogenated organic molecule that could arise from the oxidative treatment of organic compounds by chlorination. Modest turnover numbers of up to 6 were recorded, with dichloromethane identified as one of the possible products. Future efforts are directed towards bulkier -ate complexes that possess metal-centered instead of ligand-centered nucleophilic activity to create more effective electrocatalysts for the reduction of halogenated organic compounds.

  13. Mass Spectrometry Imaging of Drug Related Crystal-Like Structures in Formalin-Fixed Frozen and Paraffin-Embedded Rabbit Kidney Tissue Sections.

    Science.gov (United States)

    Bruinen, Anne L; van Oevelen, Cateau; Eijkel, Gert B; Van Heerden, Marjolein; Cuyckens, Filip; Heeren, Ron M A

    2016-01-01

    A multimodal mass spectrometry imaging (MSI) based approach was used to characterize the molecular content of crystal-like structures in a frozen and paraffin embedded piece of a formalin-fixed rabbit kidney. Matrix assisted laser desorption/ionization time-of-flight (MALDI-TOF) imaging and desorption electrospray ionization (DESI) mass spectrometry imaging were combined to analyze the frozen and paraffin embedded sample without further preparation steps to remove the paraffin. The investigated rabbit kidney was part of a study on a drug compound in development, in which severe renal toxicity was observed in dosed rabbits. Histological examination of the kidney showed tubular degeneration with precipitation of crystal-like structures in the cortex, which were assumed to cause the renal toxicity. The MS imaging approach was used to find out whether the crystal-like structures were composed of the drug compound, metabolites, or an endogenous compound as a reaction to the drug administration. The generated MALDI-MSI data were analyzed using principal component analysis. In combination with the MS/MS results, this way of data processing demonstrates that the crystal structures were mainly composed of metabolites and relatively little parent drug.

  14. Drosophila melanogaster--the model organism of choice for the complex biology of multi-cellular organisms

    Science.gov (United States)

    Beckingham, Kathleen M.; Armstrong, J. Douglas; Texada, Michael J.; Munjaal, Ravi; Baker, Dean A.

    2005-01-01

    Drosophila melanogaster has been intensely studied for almost 100 years. The sophisticated array of genetic and molecular tools that have evolved for analysis of gene function in this organism are unique. Further, Drosophila is a complex multi-cellular organism in which many aspects of development and behavior parallel those in human beings. These combined advantages have permitted research in Drosophila to make seminal contributions to the understanding of fundamental biological processes and ensure that Drosophila will continue to provide unique insights in the genomic era. An overview of the genetic methodologies available in Drosophila is given here, together with examples of outstanding recent contributions of Drosophila to our understanding of cell and organismal biology. The growing contribution of Drosophila to our knowledge of gravity-related responses is addressed.

  15. Drosophila melanogaster--the model organism of choice for the complex biology of multi-cellular organisms

    Science.gov (United States)

    Beckingham, Kathleen M.; Armstrong, J. Douglas; Texada, Michael J.; Munjaal, Ravi; Baker, Dean A.

    2005-01-01

    Drosophila melanogaster has been intensely studied for almost 100 years. The sophisticated array of genetic and molecular tools that have evolved for analysis of gene function in this organism are unique. Further, Drosophila is a complex multi-cellular organism in which many aspects of development and behavior parallel those in human beings. These combined advantages have permitted research in Drosophila to make seminal contributions to the understanding of fundamental biological processes and ensure that Drosophila will continue to provide unique insights in the genomic era. An overview of the genetic methodologies available in Drosophila is given here, together with examples of outstanding recent contributions of Drosophila to our understanding of cell and organismal biology. The growing contribution of Drosophila to our knowledge of gravity-related responses is addressed.

  16. Modeling the surface tension of complex, reactive organic-inorganic mixtures

    Science.gov (United States)

    Schwier, A. N.; Viglione, G. A.; Li, Z.; McNeill, V. Faye

    2013-11-01

    Atmospheric aerosols can contain thousands of organic compounds which impact aerosol surface tension, affecting aerosol properties such as heterogeneous reactivity, ice nucleation, and cloud droplet formation. We present new experimental data for the surface tension of complex, reactive organic-inorganic aqueous mixtures mimicking tropospheric aerosols. Each solution contained 2-6 organic compounds, including methylglyoxal, glyoxal, formaldehyde, acetaldehyde, oxalic acid, succinic acid, leucine, alanine, glycine, and serine, with and without ammonium sulfate. We test two semi-empirical surface tension models and find that most reactive, complex, aqueous organic mixtures which do not contain salt are well described by a weighted Szyszkowski-Langmuir (S-L) model which was first presented by Henning et al. (2005). Two approaches for modeling the effects of salt were tested: (1) the Tuckermann approach (an extension of the Henning model with an additional explicit salt term), and (2) a new implicit method proposed here which employs experimental surface tension data obtained for each organic species in the presence of salt used with the Henning model. We recommend the use of method (2) for surface tension modeling of aerosol systems because the Henning model (using data obtained from organic-inorganic systems) and Tuckermann approach provide similar modeling results and goodness-of-fit (χ2) values, yet the Henning model is a simpler and more physical approach to modeling the effects of salt, requiring less empirically determined parameters.

  17. Modeling the surface tension of complex, reactive organic-inorganic mixtures

    Directory of Open Access Journals (Sweden)

    A. N. Schwier

    2013-01-01

    Full Text Available Atmospheric aerosols can contain thousands of organic compounds which impact aerosol surface tension, affecting aerosol properties such as cloud condensation nuclei (CCN ability. We present new experimental data for the surface tension of complex, reactive organic-inorganic aqueous mixtures mimicking tropospheric aerosols. Each solution contained 2–6 organic compounds, including methylglyoxal, glyoxal, formaldehyde, acetaldehyde, oxalic acid, succinic acid, leucine, alanine, glycine, and serine, with and without ammonium sulfate. We test two surface tension models and find that most reactive, complex, aqueous organic mixtures which do not contain salt are well-described by a weighted Szyszkowski–Langmuir (S–L model which was first presented by Henning et al. (2005. Two approaches for modeling the effects of salt were tested: (1 the Tuckermann approach (an extension of the Henning model with an additional explicit salt term, and (2 a new implicit method proposed here which employs experimental surface tension data obtained for each organic species in the presence of salt used with the Henning model. We recommend the use of method (2 for surface tension modeling because the Henning model (using data obtained from organic-inorganic systems and Tuckermann approach provide similar modeling fits and goodness of fit (χ2 values, yet the Henning model is a simpler and more physical approach to modeling the effects of salt, requiring less empirically determined parameters.

  18. A complex sensory organ in the nose skin of the prosimian primate Lemur catta.

    Science.gov (United States)

    Elofsson, Rolf; Tuminaite, Inga; Kröger, Ronald H H

    2015-06-01

    Most mammals have nose tips covered by glabrous skin, a labronasal area, or rhinarium. The surface of the rhinarium of Lemur catta has a dermatoglyphic pattern consisting of epidermal domes. Below the domes, epidermal pegs dip down into the dermis. In and below the tip of the epidermal peg, a complex sensory organ is found. It consists of an association of innervated Merkel cells, lamellate (Pacini-like) bodies with a central nerve, and a ring of unmyelinated nerve endings in the epidermis. The Merkel cells are situated basally in the epidermis and the lamellated bodies just below the epidermis. The unmyelinated nerve endings related to the organ ascend in a circle straight through the epidermis ending below the corneal layer. From these nerve terminals, horizontal spikes enter the keratinocytes. The three components occur together forming an organ and are innervated from a common nerve plexus. The morphology of the complex sensory organ of the lemur shares most crucial components with Eimer's organs in moles, echidna, and platypus, while some structures are lacking, for example, the specific central pillar of keratinocytes, the cuticular cap, and a central unmyelinated fiber. The presence of the essentials of an Eimer's organ in many mammals suggests that a wider definition is motivated. © 2015 Wiley Periodicals, Inc.

  19. Complex organic molecules along the accretion flow in isolated and externally irradiated protoplanetary disks

    CERN Document Server

    Walsh, Catherine; Nomura, Hideko; Millar, T J; Weaver, Susanna Widicus

    2014-01-01

    (Abridged) The birth environment of the Sun will have influenced the conditions in the pre-solar nebula, including the attainable chemical complexity, important for prebiotic chemistry. The formation and distribution of complex organic molecules (COMs) in a disk around a T Tauri star is investigated for two scenarios: (i) an isolated disk, and (ii) a disk irradiated externally by a nearby massive star. The chemistry is calculated along the accretion flow from the outer disk inwards using a comprehensive network. Two simulations are performed, one beginning with complex ices and one with simple ices only. For the isolated disk, COMs are transported without major alteration into the inner disk where they thermally desorb into the gas reaching an abundance representative of the initial assumed ice abundance. For simple ices, COMs efficiently form on grain surfaces under the conditions in the outer disk. Gas-phase COMs are released into the molecular layer via photodesorption. For the irradiated disk, complex ice...

  20. Luminescent Tungsten(VI) Complexes: Photophysics and Applicability to Organic Light-Emitting Diodes and Photocatalysis.

    Science.gov (United States)

    Yeung, Kwan-Ting; To, Wai-Pong; Sun, Chenyue; Cheng, Gang; Ma, Chensheng; Tong, Glenna So Ming; Yang, Chen; Che, Chi-Ming

    2017-01-02

    The synthesis, excited-state dynamics, and applications of two series of air-stable luminescent tungsten(VI) complexes are described. These tungsten(VI) complexes show phosphorescence in the solid state and in solutions with emission quantum yields up to 22 % in thin film (5 % in mCP) at room temperature. Complex 2 c, containing a 5,7-diphenyl-8-hydroxyquinolinate ligand, displays prompt fluorescence (blue-green) and phosphorescence (red) of comparable intensity, which could be used for ratiometric luminescent sensing. Solution-processed organic light-emitting diodes (OLEDs) based on 1 d showed a stable yellow emission with an external quantum efficiency (EQE) and luminance up to 4.79 % and 1400 cd m(-2) respectively. These tungsten(VI) complexes were also applied in light-induced aerobic oxidation reactions. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. RNA polymerase II/TFIIF structure and conserved organization of the initiation complex.

    Science.gov (United States)

    Chung, Wen-Hsiang; Craighead, John L; Chang, Wei-Hau; Ezeokonkwo, Chukwudi; Bareket-Samish, Avital; Kornberg, Roger D; Asturias, Francisco J

    2003-10-01

    The structure of an RNA polymerase II/general transcription factor TFIIF complex was determined by cryo-electron microscopy and single particle analysis. Density due to TFIIF was not concentrated in one area but rather was widely distributed across the surface of the polymerase. The largest subunit of TFIIF interacted with the dissociable Rpb4/Rpb7 polymerase subunit complex and with the mobile "clamp." The distribution of the second largest subunit of TFIIF was very similar to that previously reported for the sigma subunit in the bacterial RNA polymerase holoenzyme, consisting of a series of globular domains extending along the polymerase active site cleft. This result indicates that the second TFIIF subunit is a true structural homolog of the bacterial sigma factor and reveals an important similarity of the transcription initiation mechanism between bacteria and eukaryotes. The structure of the RNAPII/TFIIF complex suggests a model for the organization of a minimal transcription initiation complex.

  2. Processing of simple and complex acoustic signals in a tonotopically organized ear.

    Science.gov (United States)

    Hummel, Jennifer; Wolf, Konstantin; Kössl, Manfred; Nowotny, Manuela

    2014-12-07

    Processing of complex signals in the hearing organ remains poorly understood. This paper aims to contribute to this topic by presenting investigations on the mechanical and neuronal response of the hearing organ of the tropical bushcricket species Mecopoda elongata to simple pure tone signals as well as to the conspecific song as a complex acoustic signal. The high-frequency hearing organ of bushcrickets, the crista acustica (CA), is tonotopically tuned to frequencies between about 4 and 70 kHz. Laser Doppler vibrometer measurements revealed a strong and dominant low-frequency-induced motion of the CA when stimulated with either pure tone or complex stimuli. Consequently, the high-frequency distal area of the CA is more strongly deflected by low-frequency-induced waves than by high-frequency-induced waves. This low-frequency dominance will have strong effects on the processing of complex signals. Therefore, we additionally studied the neuronal response of the CA to native and frequency-manipulated chirps. Again, we found a dominant influence of low-frequency components within the conspecific song, indicating that the mechanical vibration pattern highly determines the neuronal response of the sensory cells. Thus, we conclude that the encoding of communication signals is modulated by ear mechanics.

  3. Prothrombin complex concentrate use in coagulopathy of lethal brain injuries increases organ donation.

    Science.gov (United States)

    Joseph, Bellal; Aziz, Hassan; Pandit, Viraj; Hays, Daniel; Kulvatunyou, Narong; Tang, Andrew; Wynne, Julie; O' Keeffe, Terence; Green, Donald J; Friese, Randall S; Gruessner, Rainer; Rhee, Peter

    2014-04-01

    Coagulopathy is a defined barrier for organ donation in patients with lethal traumatic brain injuries. The purpose of this study was to document our experience with the use of prothrombin complex concentrate (PCC) to facilitate organ donation in patients with lethal traumatic brain injuries. We performed a 4-year retrospective analysis of all patients with devastating gunshot wounds to the brain. The data were analyzed for demographics, change in international normalized ratio (INR), and subsequent organ donation. The primary end point was organ donation. Eighty-eight patients with lethal traumatic brain injury were identified from the trauma registry of whom 13 were coagulopathic at the time of admission (mean INR 2.2 ± 0.8). Of these 13 patients, 10 patients received PCC in an effort to reverse their coagulopathy. Mean INR before PCC administration was 2.01 ± 0.7 and 1.1 ± 0.7 after administration (P brain injuries.

  4. Complex Formation of Selected Radionuclides with Ligands Commonly Found in Ground Water: Low Molecular Organic Acids

    DEFF Research Database (Denmark)

    Jensen, Bror Skytte; Jensen, H.

    1985-01-01

    A general approach to the analysis of potentiometric data on complex formation between cations and polybasic amphoteric acids is described. The method is used for the characterisation of complex formation between Cs+, Sr2+, Co2+, La 3+, and Eu3+ with a α-hydroxy acids, tartaric acid and citric ac......, and with the α-amino acids, aspartic acid and L-cysteine. The cations have been chosen as typical components of reactor waste, and the acids because they are often found as products of microbial activity in pits or wherever organic material decays...

  5. Spectroscopy of charge transfer complexes of four amino acids as organic two-dimensional conductors

    Energy Technology Data Exchange (ETDEWEB)

    Padhiyar, Ashvin; Patel, A J; Oza, A T [Department of Physics, Sardar Patel University, Vallabh Vidyanagar-388 120, Gujarat (India)

    2007-12-05

    It is found in this study that four amino acids, namely asparagine, arginine, histidine and glutamine form two-dimensional conducting systems which are charge transfer complexes (CTCs) with organic acceptors like TCNQ, TCNE, chloranil, DDQ, TNF and iodine. It is verified using optical absorption edges that these are 2d conductors like transition metal dichalcogenides obeying absorption functions different from 1d and 3d conductors. This 2d nature is related to the network of intermolecular H-bonding in these complexes, which leads to a global H-bonded network resulting in the absence of local deformation due to the relaxation of strain.

  6. Spectroscopy of charge transfer complexes of four amino acids as organic two-dimensional conductors

    Science.gov (United States)

    Padhiyar, Ashvin; Patel, A. J.; Oza, A. T.

    2007-12-01

    It is found in this study that four amino acids, namely asparagine, arginine, histidine and glutamine form two-dimensional conducting systems which are charge transfer complexes (CTCs) with organic acceptors like TCNQ, TCNE, chloranil, DDQ, TNF and iodine. It is verified using optical absorption edges that these are 2d conductors like transition metal dichalcogenides obeying absorption functions different from 1d and 3d conductors. This 2d nature is related to the network of intermolecular H-bonding in these complexes, which leads to a global H-bonded network resulting in the absence of local deformation due to the relaxation of strain.

  7. Organic inclusion complex novel materials for optical second-harmonic generation in ultraviolet region

    Science.gov (United States)

    Meng, Fanqing; Lu, Mengkai

    1996-10-01

    Herein is presented a new class of materials for second harmonic generation (SHG) -- organic inclusion complex, in which 'SHG-active units' (guest) are incorporated into chiral handle polycondensed anions (host) through short hydrogen bonds. The former can provide nonlinear optical response. The latter is expected to produce noncentrosymmetric structural 'molecular framework' and improve fundamental properties of materials such as thermal stability, mechanical strength and fabrication behavior, et al. Several new SHG active inclusion complexes were synthesized. In particular, optically fine bulk crystals of urea-(d)tartaric acid (UDT) and urea-(dl)tartaric acid (UDLT) have been obtained. They have good powder SHG intensity and short cutoff wavelengths.

  8. Hydrothermal Synthesis and Characterization of Inorganic /Organic Hybrid Complex Containing Tungstophsphate

    Institute of Scientific and Technical Information of China (English)

    JIN Su-rong; ZHANG Lian-meng; LIU Shi-zhong; ZHAO Wei-feng

    2004-01-01

    A new complex [Cu(C12H8N2)2]1.5PW12O40·1.5H2O was synthesized under hydrothermal conditions. The complex was characterized by the elemental analysis, SEM, X-ray powder diffraction analysis, IR,UV-Vis spectroscopy,and TG thermal analysis,respectively. The experimental result shows that the heteropolyanion is of a Keggin structure containing coordinated cations. Photochromism studies show that the electron transfer takes place from the organic compound to the heteropolyanion.

  9. Neuroanatomy of the complex tibial organ of Stenopelmatus (Orthoptera: Ensifera: Stenopelmatidae).

    Science.gov (United States)

    Strauss, Johannes; Lakes-Harlan, Reinhard

    2008-11-01

    Stenopelmatidae (or "Jerusalem crickets") belong to the atympanate Ensifera, lacking hearing organs in the foreleg tibiae. Their phylogenetic position is controversial, either as a taxon in Tettigonioidea or within the clade of Gryllacridoidea. Similarly, the origin of tibial auditory systems in Ensifera is controversial. Therefore, we investigated the neuronal structures of the proximal tibiae of Stenopelmatus spec. with the hypothesis that internal sensory structures are similar to those in tympanate Ensifera. In Stenopelmatus the complex tibial organ consists of three neuronal parts: the subgenual organ, the intermediate organ, and a third part with linearly arranged neurons. This tripartite organization is also found in tympanate Ensifera, verifying our hypothesis. The third part of the sense organ found in Stenopelmatus can be regarded by the criterion of position as homologous to auditory receptors of hearing Tettigonioidea. This crista acustica homolog is found serially in all thoracic leg pairs and contains 20 +/- 2 chordotonal neurons in the foreleg. The tibial organ was shown to be responsive to vibration, with a broad threshold of about 0.06 ms(-2) in a frequency range from 100-600 Hz. The central projection of tibial sensory neurons terminates into two equally sized lobes in the primary sensory neuropil, the medial ventral association center. The data are discussed comparatively to those of other Ensifera and mapped phylogenetically onto recently proposed phylogenies for Ensifera. The crista acustica homolog could represent a neuronal rudiment of a secondarily reduced ear, but neuronal features are also consistent with an evolutionary preadaptation.

  10. Lamellar metal-organic complex and its rod-like nanoparticles prepared with ultrasonic technique

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Metal-organic complex (H3NCH2CH2NH2)3[MoO2(OC6H4O)2] with a lamellar morphology has been syn- thesized. Its crystal structure was confirmed by single-crystal X-ray diffraction. The morphology of the crystal was observed by scanning electron microscopy (SEM). The metal-organic nanoparticles have been prepared by using an ultrasonic method. The morphology of the as-prepared nanoparticles was observed by transmission electron microscopy (TEM). The possible formation mechanism has also been proposed.

  11. Information and Self-Organization A Macroscopic Approach to Complex Systems

    CERN Document Server

    Haken, Hermann

    2006-01-01

    This book presents the concepts needed to deal with self-organizing complex systems from a unifying point of view that uses macroscopic data. The various meanings of the concept "information" are discussed and a general formulation of the maximum information (entropy) principle is used. With the aid of results from synergetics, adequate objective constraints for a large class of self-organizing systems are formulated and examples are given from physics, life and computer science. The relationship to chaos theory is examined and it is further shown that, based on possibly scarce and noisy data, unbiased guesses about processes of complex systems can be made and the underlying deterministic and random forces determined. This allows for probabilistic predictions of processes, with applications to numerous fields in science, technology, medicine and economics. The extensions of the third edition are essentially devoted to an introduction to the meaning of information in the quantum context. Indeed, quantum inform...

  12. Unified Microscopic-Macroscopic Monte Carlo Simulations of Complex Organic Molecule Chemistry in Cold Cores

    CERN Document Server

    Chang, Qiang

    2016-01-01

    The recent discovery of methyl formate and dimethyl ether in the gas phase of cold cores with temperatures as cold as 10 K challenges our previous astrochemical models concerning the formation of complex organic molecules. The strong correlation between the abundances and distributions of methyl formate and dimethyl ether further shows that current astrochemical models may be missing important chemical processes in cold astronomical sources. We investigate a scenario in which complex organic molecules and the methoxy radical can be formed on dust grains via a so-called "chain reaction" mechanism, in a similar manner to CO$_2$. A unified gas-grain microscopic-macroscopic Monte Carlo approach with both normal and interstitial sites for icy grain mantles is used to perform the chemical simulations. Reactive desorption with varying degrees of efficiency is included to enhance the non-thermal desorption of species formed on cold dust grains. In addition, varying degrees of efficiency for the surface formation of m...

  13. Self-Organized Complexity and Coherent Infomax from the Viewpoint of Jaynes’s Probability Theory

    Directory of Open Access Journals (Sweden)

    William A. Phillips

    2012-01-01

    Full Text Available This paper discusses concepts of self-organized complexity and the theory of Coherent Infomax in the light of Jaynes’s probability theory. Coherent Infomax, shows, in principle, how adaptively self-organized complexity can be preserved and improved by using probabilistic inference that is context-sensitive. It argues that neural systems do this by combining local reliability with flexible, holistic, context-sensitivity. Jaynes argued that the logic of probabilistic inference shows it to be based upon Bayesian and Maximum Entropy methods or special cases of them. He presented his probability theory as the logic of science; here it is considered as the logic of life. It is concluded that the theory of Coherent Infomax specifies a general objective for probabilistic inference, and that contextual interactions in neural systems perform functions required of the scientist within Jaynes’s theory.

  14. The organization of thinking: what functional brain imaging reveals about the neuroarchitecture of complex cognition.

    Science.gov (United States)

    Just, Marcel Adam; Varma, Sashank

    2007-09-01

    Recent findings in brain imaging, particularly in fMRI, are beginning to reveal some of the fundamental properties of the organization of the cortical systems that underpin complex cognition. We propose an emerging set of operating principles that govern this organization, characterizing the system as a set of collaborating cortical centers that operate as a large-scale cortical network. Two of the network's critical features are that it is resource constrained and dynamically configured, with resource constraints and demands dynamically shaping the network topology. The operating principles are embodied in a cognitive neuroarchitecture, 4CAPS, consisting of a number of interacting computational centers that correspond to activating cortical areas. Each 4CAPS center is a hybrid production system, possessing both symbolic and connectionist attributes. We describe 4CAPS models of sentence comprehension, spatial problem solving, and complex multitasking and compare the accounts of these models with brain activation and behavioral results. Finally, we compare 4CAPS with other proposed neuroarchitectures.

  15. Formation and recondensation of complex organic molecules during protostellar luminosity outbursts

    CERN Document Server

    Taquet, Vianney; Charnley, Steven B

    2016-01-01

    During the formation of stars, the accretion of the surrounding material toward the central object is thought to undergo strong luminosity outbursts, followed by long periods of relative quiescence, even at the early stages of star formation when the protostar is still embedded in a large envelope. We investigated the gas phase formation and the recondensation of the complex organic molecules (COMs) di-methyl ether and methyl formate, induced by sudden ice evaporation processes occurring during luminosity outbursts of different amplitudes in protostellar envelopes. For this purpose, we updated a gas phase chemical network forming complex organic molecules in which ammonia plays a key role. The model calculations presented here demonstrate that ion-molecule reactions alone could account for the observed presence of di-methyl ether and methyl formate in a large fraction of protostellar cores, without recourse to grain-surface chemistry, although they depend on uncertain ice abundances and gas phase reaction bra...

  16. Preparation and fluorescent properties of a complex probe based on inorganic QDs and organic dye

    Energy Technology Data Exchange (ETDEWEB)

    Fei Xuening, E-mail: xueningfei@126.co [Department of Material Science and Engineering, TianJin Institute of Urban Construction, No. 26, Jinjing Road, Tianjin 300384 (China) and School of Chemical Engineering and Technology, TianJin University, Tianjin 300072 (China); Gu Yingchun [School of Chemical Engineering and Technology, TianJin University, Tianjin 300072 (China); Department of Material Science and Engineering, TianJin Institute of Urban Construction, No. 26, Jinjing Road, Tianjin 300384 (China); Wang Jun; Jia Guozhi; Liu Zhijun [Department of Material Science and Engineering, TianJin Institute of Urban Construction, No. 26, Jinjing Road, Tianjin 300384 (China)

    2011-02-15

    A novel complex fluorescent probe based on quantum dots and organic dye (QDs-TO) was designed and prepared by incorporating a benzothiazole derivative into QDs-1-(3-amidepropyl)-4-methylquinoline. The complex probe was characterized by FT-IR and TG/DTA. The emission wavelength of QDs-1-(3-amidepropyl)-4-methylquinoline was found at 475 nm and a new peak corresponding to QDs-TO appeared at 550 nm, indicating that benzothiazole derivative can react with QDs-1-(3-amidepropyl)-4-methylquinoline to afford QDs-TO. Furthermore, the emission wavelength of QDs shifted blue while the characteristic peak of TO shifted red during the reaction. This suggests that the probe may be useful for biological labeling in offering an efficient method to study the interrelation between quantum dots and organic dyes.

  17. Modelling of trace metal uptake by roots taking into account complexation by exogenous organic ligands

    Science.gov (United States)

    Jean-Marc, Custos; Christian, Moyne; Sterckeman, Thibault

    2010-05-01

    The context of this study is phytoextraction of soil trace metals such as Cd, Pb or Zn. Trace metal transfer from soil to plant depends on physical and chemical processes such as minerals alteration, transport, adsorption/desorption, reactions in solution and biological processes including the action of plant roots and of associated micro-flora. Complexation of metal ions by organic ligands is considered to play a role on the availability of trace metals for roots in particular in the event that synthetic ligands (EDTA, NTA, etc.) are added to the soil to increase the solubility of the contaminants. As this role is not clearly understood, we wanted to simulate it in order to quantify the effect of organic ligands on root uptake of trace metals and produce a tool which could help in optimizing the conditions of phytoextraction.We studied the effect of an aminocarboxilate ligand on the absorption of the metal ion by roots, both in hydroponic solution and in soil solution, for which we had to formalize the buffer power for the metal. We assumed that the hydrated metal ion is the only form which can be absorbed by the plants. Transport and reaction processes were modelled for a system made up of the metal M, a ligand L and the metal complex ML. The Tinker-Nye-Barber model was adapted to describe the transport of solutes M, L and ML in the soil and absorption of M by the roots. This allowed to represent the interactions between transport, chelating reactions, absorption of the solutes at the root surface, root growth with time, in order to simulate metal uptake by a whole root system.Several assumptions were tested such as i) absorption of the metal by an infinite sink and according to a Michaelis-Menten kinetics, solutes transport by diffusion with and without ii) mass flow and iii) soil buffer power for the ligand L. In hydroponic solution (without soil buffer power), ligands decreased the trace metal flux towards roots, as they reduced the concentration of hydrated

  18. THE COMPLEX ORGANIZATION OF EUKARYOTIC CELL NUCLEUS (III: THE NUCLEAR MATRIX AND THE NUCLEAR LAMINA

    Directory of Open Access Journals (Sweden)

    Cristian S. Cimpeanu

    2013-07-01

    Full Text Available A large variety of nuclear fibrous proteins (such as actin, myosin, lamin B, transcription factors, topoisomerases, etc represent constitutive elements of complex structures present in the eukaryotic nuclei: the nuclear matrix and the nuclear lamina, repectively. These nuclear compartments, with fibrous network-like structure, play crucialroles in structural organization of nuclei, chromatin remodeling, DNA transcription, signals transduction, cell cycle regulation, embryonic development and other nuclear basic processes.

  19. Communicating complex technical information in virtual teams of a multicultural global organization

    OpenAIRE

    Moksén, Heidi

    2014-01-01

    Variant communication is used in the case organization to refer to information and interaction related to variant creation, meaning the customization of the mobile phones according to network operator’s or country’s specific requirements. Variant communication is a process of communicating complex technical messages through electronic communication channels to a multicultural audience. In this thesis the aim is to get a comprehensive understanding how the intercultural, virtual and technic...

  20. The psychobiology of mind-body communication: the complex, self-organizing field of information transduction.

    Science.gov (United States)

    Rossi, E L

    1996-01-01

    The current information revolution in molecular biology has important implications for an new understanding of the phenomenology of mind, memory and behavior as a complex, self-organizing field of information transduction. This paper traces the pathways of information transduction in life processes from the molecular-genetic level to the dynamics of mind and behavior together with suggestions for future research exploring the psychobiology of mind-body communication and its implications for the psychotherapeutic arts of the future.

  1. Formation of complex organic molecules in cold objects: the role of gas phase reactions

    OpenAIRE

    Balucani, Nadia; Ceccarelli, Cecilia; Taquet, Vianney

    2015-01-01

    While astrochemical models are successful in reproducing many of the observed interstellar species, they have been struggling to explain the observed abundances of complex organic molecules. Current models tend to privilege grain surface over gas phase chemistry in their formation. One key assumption of those models is that radicals trapped in the grain mantles gain mobility and react on lukewarm (>30 K) dust grains. Thus, the recent detections of methyl formate (MF) and dimethyl ether (DME) ...

  2. Simplicity-minded management. A practical guide to stripping complexity out of your organization.

    Science.gov (United States)

    Ashkenas, Ron

    2007-12-01

    Large organizations are by nature complex, but over the years new business challenges--globalization, innovative technologies, and regulations, to name a few--have conspired to add layer upon layer of complexity to corporate structure and management. Organizations have become increasingly ungovernable and unwieldy: Performance is declining, accountability is unclear, decision rights are muddy, and data are crunched repeatedly, often with no clear purpose in mind. To avoid frustration and inefficiency, executives need to systematically attack the causes of complexity in their companies. Ashkenas and his partners at Robert H. Schaffer & Associates have worked with dozens of firms to help them develop strategies for simplifying. In this article, the author details the elements of a simplicity-minded strategy: Streamline the structure; prune products, services, and features; build disciplined processes; and improve managerial habits. ConAgra Foods' experience illustrates how one company turned itself around through careful execution of a simplicity strategy. The packaged-food supplier had become enormously successful by acquiring well-known brands and then allowing them to operate autonomously, evolving into a $14 billion organization with more than 100 brands, a food services business, and a commodity trading operation. ConAgra, however, had no common method for reporting, tracking, or analyzing results. Over time, therefore, it became a highly unwieldy enterprise, riddled with inefficiencies and unable to communicate adequately with investors and other stakeholders. When CEO Gary Rodkin came on board, in 2005, he invested in a series of initiatives to combat complexity. The tactic not only made life easier for customers and employees but also saved millions of dollars in costs. This article has an online interactive questionnaire that can help you assess your own company's level of complexity.

  3. Computational Redox Potential Predictions: Applications to Inorganic and Organic Aqueous Complexes, and Complexes Adsorbed to Mineral Surfaces

    Directory of Open Access Journals (Sweden)

    Krishnamoorthy Arumugam

    2014-04-01

    Full Text Available Applications of redox processes range over a number of scientific fields. This review article summarizes the theory behind the calculation of redox potentials in solution for species such as organic compounds, inorganic complexes, actinides, battery materials, and mineral surface-bound-species. Different computational approaches to predict and determine redox potentials of electron transitions are discussed along with their respective pros and cons for the prediction of redox potentials. Subsequently, recommendations are made for certain necessary computational settings required for accurate calculation of redox potentials. This article reviews the importance of computational parameters, such as basis sets, density functional theory (DFT functionals, and relativistic approaches and the role that physicochemical processes play on the shift of redox potentials, such as hydration or spin orbit coupling, and will aid in finding suitable combinations of approaches for different chemical and geochemical applications. Identifying cost-effective and credible computational approaches is essential to benchmark redox potential calculations against experiments. Once a good theoretical approach is found to model the chemistry and thermodynamics of the redox and electron transfer process, this knowledge can be incorporated into models of more complex reaction mechanisms that include diffusion in the solute, surface diffusion, and dehydration, to name a few. This knowledge is important to fully understand the nature of redox processes be it a geochemical process that dictates natural redox reactions or one that is being used for the optimization of a chemical process in industry. In addition, it will help identify materials that will be useful to design catalytic redox agents, to come up with materials to be used for batteries and photovoltaic processes, and to identify new and improved remediation strategies in environmental engineering, for example the

  4. Adsorptive removal and separation of chemicals with metal-organic frameworks: Contribution of π-complexation.

    Science.gov (United States)

    Khan, Nazmul Abedin; Jhung, Sung Hwa

    2017-03-05

    Efficient removal and separation of chemicals from the environment has become a vital issue from a biological and environmental point of view. Currently, adsorptive removal/separation is one of the most promising approaches for cleaning purposes. Selective adsorption/removal of various sulfur- and nitrogen-containing compounds, olefins, and π-electron-rich gases via π-complex formation between an adsorbent and adsorbate molecules is very competitive. Porous metal-organic framework (MOF) materials are very promising in the adsorption/separation of various liquids and gases owing to their distinct characteristics. This review summarizes the literature on the adsorptive removal/separation of various π-electron-rich compounds mainly from fuel and gases using MOF materials containing metal ions that are active for π-complexation. Details of the π-complexation, including mechanism, pros/cons, applications, and efficient ways to form the complex, are discussed systematically. For in-depth understanding, molecular orbital calculations regarding charge transfer between the π-complexing species are also explained in a separate section. From this review, readers will gain an understanding of π-complexation for adsorption and separation, especially with MOFs, to develop new insight for future research.

  5. Complexity: the organizing principle at the interface of biological (dis)order

    Indian Academy of Sciences (India)

    RAMRAY BHAT; DHARMA PALLY

    2017-07-01

    The term complexity means several things to biologists.When qualifying morphological phenotype, on the one hand, it is used to signify the sheer complicatedness of living systems, especially as a result of the multicomponent aspect of biological form. On the other hand, it has been used to represent the intricate nature of the connections between constituents that make up form: amore process-based explanation. In the context of evolutionary arguments, complexity has been defined, in a quantifiable fashion, as the amount of information, an informatic template such as a sequence of nucleotides or amino acids stores about its environment. In this perspective, we begin with a brief review of the history of complexity theory. We then introduce a developmental and an evolutionary understanding of what it means for biological systems to be complex.We propose that the complexity of living systems can be understood through two interdependent structural properties: multiscalarity of interconstituent mechanisms and excitability of the biological materials. The answer to whether a system becomes more or less complex over time depends on the potential for itsconstituents to interact in novel ways and combinations to give rise to new structures and functions, as well as on the evolution of excitable properties that would facilitate the exploration of interconstituent organization in the context of their microenvironments and macroenvironments.

  6. The formation of ethylene glycol and other complex organic molecules in star-forming regions

    CERN Document Server

    Rivilla, V M; Cesaroni, R; Fontani, F; Codella, C; Zhang, Q

    2016-01-01

    We study the molecular abundance and spatial distribution of the simplest sugar alcohol, ethylene glycol (EG), the simplest sugar glycoladehyde (GA), and other chemically related complex organic species towards the massive star-forming region G31.41+0.31. We have analyzed multiple single dish and interferometric data, and obtained excitation temperatures and column densities using an LTE analysis. We have reported for the first time the presence of EG towards G31.41+0.31, and we have also detected multiple transitions of other complex organic molecules such as GA, methyl formate (MF), dimethyl ether (DME) and ethanol (ET). The high angular resolution images show that the EG emission is very compact, peaking towards the maximum of the continuum. These observations suggest that low abundance complex organic molecules, like EG or GA, are good probes of the gas located closer to the forming stars. Our analysis confirms that EG is more abundant than GA in G31.41+0.31, as previously observed in other interstellar r...

  7. Lessons from model organisms: phenotypic robustness and missing heritability in complex disease.

    Directory of Open Access Journals (Sweden)

    Christine Queitsch

    Full Text Available Genetically tractable model organisms from phages to mice have taught us invaluable lessons about fundamental biological processes and disease-causing mutations. Owing to technological and computational advances, human biology and the causes of human diseases have become accessible as never before. Progress in identifying genetic determinants for human diseases has been most remarkable for Mendelian traits. In contrast, identifying genetic determinants for complex diseases such as diabetes, cancer, and cardiovascular and neurological diseases has remained challenging, despite the fact that these diseases cluster in families. Hundreds of variants associated with complex diseases have been found in genome-wide association studies (GWAS, yet most of these variants explain only a modest amount of the observed heritability, a phenomenon known as "missing heritability." The missing heritability has been attributed to many factors, mainly inadequacies in genotyping and phenotyping. We argue that lessons learned about complex traits in model organisms offer an alternative explanation for missing heritability in humans. In diverse model organisms, phenotypic robustness differs among individuals, and those with decreased robustness show increased penetrance of mutations and express previously cryptic genetic variation. We propose that phenotypic robustness also differs among humans and that individuals with lower robustness will be more responsive to genetic and environmental perturbations and hence susceptible to disease. Phenotypic robustness is a quantitative trait that can be accurately measured in model organisms, but not as yet in humans. We propose feasible approaches to measure robustness in large human populations, proof-of-principle experiments for robustness markers in model organisms, and a new GWAS design that takes differences in robustness into account.

  8. A self-organizing shortest path finding strategy on complex networks

    Institute of Scientific and Technical Information of China (English)

    Shen Yi; Pei Wen-Jiang; Wang Kai; Wang Shao-Ping

    2009-01-01

    The shortcomings of traditional methods to find the shortest path are revealed,and a strategy of finding the selforganizing shortest path based on thermal flux diffusion on complex networks is presented. In our method,the shortest paths between the source node and the other nodes are found to be self-organized by comparing node temperatures. The computation complexity of the method scales linearly with the number of edges on underlying networks. The effects of the method on several networks,including a regular network proposed by Ravasz and Barabási which is called the RB network,a real network,a random network proposed by Ravasz and Barabási which is called the ER network and a scale-free network,are also demonstrated. Analytic and simulation results show that the method has a higher accuracy and lower computational complexity than the conventional methods.

  9. Complexity in organizations and environment - adaptive changes and adaptive decision-making

    Directory of Open Access Journals (Sweden)

    Robert Fabac

    2010-07-01

    Full Text Available The features of complexity are ever more present in modern organizations and in environments in which they operate, trying to survive and be as competitive as possible. In the processes of, the so-called emergence, the formal organizational structure, designed purposefully and with a plan, is going through a change due to complexity and the need for adaptation. As a result, there is a variety of new informal groups. At the same time, the intended structural changes and business process changes occur because of the perception that the leadership and senior organizational management have of the strategic situation. Managers in modern organizations often use business intelligence (BI systems when making important business decisions. These systems offer support to the decision-making by gathering and processing relevant data and information about the company performance, but also about the data on conditions in close and remote environment. A modern company is characterized by the complex adaptive system, but the environment in which it operates together with other business subjects (agents is also complex. Consequently, the requirements for appropriate or optimal decisions and successfully completed activities are hard to meet. Given that expected future events and circumstances often occur in nonlinear mechanisms, the decisions made by following the models of traditional predicting and planning are not satisfactory. This calls for new approaches to decision making and acting.

  10. Investigation of the structural organization of cationic nanoemulsion/antisense oligonucleotide complexes.

    Science.gov (United States)

    Bruxel, Fernanda; Vilela, José Mario Carneiro; Andrade, Margareth Spangler; Malachias, Ângelo; Perez, Carlos A; Magalhães-Paniago, Rogério; Oliveira, Mônica Cristina; Teixeira, Helder F

    2013-12-01

    Atomic force microscopy image analysis and energy dispersive X-ray diffraction experiments were used to investigate the structural organization of cationic nanoemulsion/oligonucleotide complexes. Oligonucleotides targeting topoisomerase II gene were adsorbed on cationic nanoemulsions obtained by means of spontaneous emulsification procedure. Topographical analysis by atomic force microscopy allowed the observation of the nanoemulsion/oligonucleotide complexes through three-dimensional high-resolution images. Flattening of the oil droplets was observed, which was reduced in the complexes obtained at high amount of adsorbed oligonucleotides. In such conditions, complexes exhibit droplet size in the 600nm range. The oligonucleotides molecules were detected on the surface of the droplets, preventing their fusion during aggregation. A lamellar structure organization was identified by energy dispersive X-ray diffraction experiments. The presence of the nucleic acid molecules led to a disorganization of the lipid arrangement and an expansion in the lattice spacing, which was proportional to the amount of oligonucleotides added. Copyright © 2013 Elsevier B.V. All rights reserved.

  11. Self-Organized Criticality: Emergent Complex Behavior in PM10 Pollution

    Directory of Open Access Journals (Sweden)

    Shi Kai

    2013-01-01

    Full Text Available We analyze long-term time series of daily average PM10 concentrations in Chengdu city. Detrended fluctuation analysis of the time series shows long range correlation at one-year temporal scale. Spectral analysis of the time series indicates 1/f noise behavior. The probability distribution functions of PM10 concentrations fluctuation have a scale-invariant structure. Why do the complex structures of PM10 concentrations evolution exhibit scale-invariant? We consider that these complex dynamical characteristics can be recognized as the footprint of self-organized criticality (SOC. Based on the theory of self-organized criticality, a simplified sandpile model for PM10 pollution with a nondimensional formalism is put forward. Our model can give a good prediction of scale-invariant in PM10 evolution. A qualitative explanation of the complex dynamics observed in PM10 evolution is suggested. The work supports the proposal that PM10 evolution acts as a SOC process on calm weather. New theory suggests one way to understand the origin of complex dynamical characteristics in PM10 pollution.

  12. The structure and organization of lanceolate mechanosensory complexes at mouse hair follicles.

    Science.gov (United States)

    Li, Lishi; Ginty, David D

    2014-02-25

    In mouse hairy skin, lanceolate complexes associated with three types of hair follicles, guard, awl/auchene and zigzag, serve as mechanosensory end organs. These structures are formed by unique combinations of low-threshold mechanoreceptors (LTMRs), Aβ RA-LTMRs, Aδ-LTMRs, and C-LTMRs, and their associated terminal Schwann cells (TSCs). In this study, we investigated the organization, ultrastructure, and maintenance of longitudinal lanceolate complexes at each hair follicle subtype. We found that TSC processes at hair follicles are tiled and that individual TSCs host axonal endings of more than one LTMR subtype. Electron microscopic analyses revealed unique ultrastructural features of lanceolate complexes that are proposed to underlie mechanotransduction. Moreover, Schwann cell ablation leads to loss of LTMR terminals at hair follicles while, in contrast, TSCs remain associated with hair follicles following skin denervation in adult mice and, remarkably, become re-associated with newly formed axons, indicating a TSC-dependence of lanceolate complex maintenance and regeneration in adults. DOI: http://dx.doi.org/10.7554/eLife.01901.001.

  13. The subgenual organ complex in the cave cricket Troglophilus neglectus (Orthoptera: Rhaphidophoridae): comparative innervation and sensory evolution

    OpenAIRE

    Strauß, Johannes; Stritih, Nataša; Lakes-Harlan, Reinhard

    2014-01-01

    Comparative studies of the organization of nervous systems and sensory organs can reveal their evolution and specific adaptations. In the forelegs of some Ensifera (including crickets and tettigoniids), tympanal hearing organs are located in close proximity to the mechanosensitive subgenual organ (SGO). In the present study, the SGO complex in the non-hearing cave cricket Troglophilus neglectus (Rhaphidophoridae) is investigated for the neuronal innervation pattern and for organs homologous t...

  14. Connecting the solubility and CCN activation of complex organic aerosols: a theoretical study using solubility distributions

    Science.gov (United States)

    Riipinen, I.; Rastak, N.; Pandis, S. N.

    2015-06-01

    We present a theoretical study investigating the cloud activation of multicomponent organic particles. We modeled these complex mixtures using solubility distributions (analogous to volatility distributions in the VBS, i.e., volatility basis set, approach), describing the mixture as a set of surrogate compounds with varying water solubilities in a given range. We conducted Köhler theory calculations for 144 different mixtures with varying solubility range, number of components, assumption about the organic mixture thermodynamics and the shape of the solubility distribution, yielding approximately 6000 unique cloud condensation nucleus (CCN)-activation points. The results from these comprehensive calculations were compared to three simplifying assumptions about organic aerosol solubility: (1) complete dissolution at the point of activation; (2) combining the aerosol solubility with the molar mass and density into a single effective hygroscopicity parameter κ; and (3) assuming a fixed water-soluble fraction ϵeff. The complete dissolution was able to reproduce the activation points with a reasonable accuracy only when the majority (70-80%) of the material was dissolved at the point of activation. The single-parameter representations of complex mixture solubility were confirmed to be powerful semi-empirical tools for representing the CCN activation of organic aerosol, predicting the activation diameter within 10% in most of the studied supersaturations. Depending mostly on the condensed-phase interactions between the organic molecules, material with solubilities larger than about 0.1-100 g L-1 could be treated as soluble in the CCN activation process over atmospherically relevant particle dry diameters and supersaturations. Our results indicate that understanding the details of the solubility distribution in the range of 0.1-100 g L-1 is thus critical for capturing the CCN activation, while resolution outside this solubility range will probably not add

  15. Storage and Bioavailability of Molybdenum in Soils Increased by Organic Matter Complexation

    Energy Technology Data Exchange (ETDEWEB)

    Wichard, T.; Mishra, B; Myneni, S; Bellenger, J; Kraepiel, A

    2009-01-01

    The micronutrient molybdenum is a necessary component of the nitrogen-fixing enzyme nitrogenase1, 2. Molybdenum is very rare in soils, and is usually present in a highly soluble form, making it susceptible to leaching3, 4. However, it is generally thought that molybdenum attaches to mineral surfaces in acidic soils; this would prevent its escape into the groundwater, but would also impede uptake by microbes3. Here we use X-ray spectroscopy to examine the chemical speciation of molybdenum in soil samples from forests in Arizona and New Jersey. We show that in the leaf litter layer, most of the molybdenum forms strong complexes with plant-derived tannins and tannin-like compounds; molybdenum binds to these organic ligands across a wide pH range. In deeper soils, molybdenum binds to both iron oxides and natural organic matter. We suggest that the molybdenum bound to organic matter can be captured by small complexing agents that are released by nitrogen-fixing bacteria; the molybdenum can then be incorporated into nitrogenase. We conclude that the binding of molybdenum to natural organic matter helps prevent leaching of molybdenum, and is thus a critical step in securing new nitrogen in terrestrial ecosystems.

  16. Is life impossible? Information, sex, and the origin of complex organisms.

    Science.gov (United States)

    Peck, Joel R; Waxman, David

    2010-11-01

    The earliest organisms are thought to have had high mutation rates. It has been asserted that these high mutation rates would have severely limited the information content of early genomes. This has led to a well-known “paradox” because, in contemporary organisms, the mechanisms that suppress mutations are quite complex and a substantial amount of information is required to construct these mechanisms. The paradox arises because it is not clear how efficient error-suppressing mechanisms could have evolved, and thus allowed the evolution of complex organisms, at a time when mutation rates were too high to permit the maintenance of very substantial amounts of information within genomes. Here, we use concepts from the formal theory of information to calculate the amount of genomic information that can be maintained. We identify conditions under which much higher levels of genomic information can be maintained than previously considered possible among origin-of-life researchers. In particular, we find that the highest levels of information are maintained when many genotypes produce identical phenotypes, and when reproduction occasionally involves recombination between multiple parental genomes. There is a good reason to believe that these conditions are relevant for very early organisms, and thus the results presented may provide a solution to a long-standing logical problem associated with the early evolution of life.

  17. Effect of organic complexants on the mobility of nickel and cobalt in soils. Status report

    Energy Technology Data Exchange (ETDEWEB)

    Swanson, J.L.

    1982-09-01

    A study is being conducted of the effect of organic complexing agents on the behavior of low-level waste radionuclides in soil/groundwater systems. This report contains the results of recent work with Ni and Co, two elements that have radioactive isotopes that are important to low-level waste disposal. The complexants studied were EDTA, DTPA, oxalate, and citrate. Data were obtained from experiments using soils from both an arid site (Hanford, Washington) and a humid site (Savannah River, South Carolina). Some work with cobalt was done in the absence of air to allow the behavior of the lower oxidation state to be studied. Important variations were observed in both the rates at which equilibrium was approached (from both the precomplexed and the presorbed directions) and the equilibrium positions themselves. The oxalate and citrate complexes are weaker and dissociate more rapidly than the EDTA and DTPA complexes. Dissociation of the EDTA and DTPA complexes occurred much more rapidly in solutions contacting Savannah River soil than in solutions contacting Hanford soil. 20 figures, 6 tables.

  18. Complex Nanostructures from Materials based on Metal-Organic Frameworks for Electrochemical Energy Storage and Conversion.

    Science.gov (United States)

    Guan, Bu Yuan; Yu, Xin Yao; Wu, Hao Bin; Lou, Xiong Wen David

    2017-09-27

    Metal-organic frameworks (MOFs) have drawn tremendous attention because of their abundant diversity in structure and composition. Recently, there has been growing research interest in deriving advanced nanomaterials with complex architectures and tailored chemical compositions from MOF-based precursors for electrochemical energy storage and conversion. Here, a comprehensive overview of the synthesis and energy-related applications of complex nanostructures derived from MOF-based precursors is provided. After a brief summary of synthetic methods of MOF-based templates and their conversion to desirable nanostructures, delicate designs and preparation of complex architectures from MOFs or their composites are described in detail, including porous structures, single-shelled hollow structures, and multishelled hollow structures, as well as other unusual complex structures. Afterward, their applications are discussed as electrode materials or catalysts for lithium-ion batteries, hybrid supercapacitors, water-splitting devices, and fuel cells. Lastly, the research challenges and possible development directions of complex nanostructures derived from MOF-based-templates for electrochemical energy storage and conversion applications are outlined. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  19. Organization of human interferon gamma-heparin complexes from solution properties and hydrodynamics.

    Science.gov (United States)

    Perez Sanchez, Horacio; Tatarenko, Karine; Nigen, Michael; Pavlov, Georges; Imberty, Anne; Lortat-Jacob, Hugues; Garcia de la Torre, Jose; Ebel, Christine

    2006-11-01

    Heparan sulfate (HS) recognizes a variety of proteins, one of which is the pleiotropic cytokine IFN-gamma, and as such modulates many biological processes. IFN-gamma is a homodimer with a well-defined core and two flexible C-termini that constitute HS binding domains. We show here using molecular modeling that an extended IFN-gamma structure overlaps a HS fragment of 16 disaccharides (16 nm). Since a 21-24-disaccharide HS fragment was experimentally defined as the minimum size that interacts with IFN-gamma [Lortat-Jacob, H., Turnbull, J. E., and Grimaud, J. A. (1995) Biochem. J. 310 (Part 2), 497-505], this raises the question of the complexe organization. We combine analytical ultracentrifugation, size exclusion chromatography, and hydrodynamic bead modeling to characterize the complexes formed in solution with heparin oligosaccharides. For oligosaccharides of 14 and 20 nm, two types of complexes are formed with one IFN-gamma and one or two heparin molecules. Complexes consisting of two IFN-gamma and one or two heparin molecules are present for a fragment of 25 nm and aggregates for a fragment of 35 nm. The complexes are rather compact and can be formed without major conformational changes of the partners. The complex pattern of interaction is related to the size of the partners and their multiple binding possibilities. These various possibilities suggest networks of interactions at the crowded surface of the cells. Hydrodynamic methods used here proved to be very efficient tools for describing protein-HS complexes that, due to the intrinsic heterogeneity and flexibility of the partners, are otherwise very difficult to analyze.

  20. A Self-Perpetuating Catalyst for the Production of Complex Organic Molecules in Protostellar Nebulae

    Science.gov (United States)

    Nuth, Joseph A.; Johnson, N. M.

    2010-01-01

    The formation of abundant carbonaceous material in meteorites is a long standing problem and an important factor in the debate on the potential for the origin of life in other stellar systems. Many mechanisms may contribute to the total organic content in protostellar nebulae, ranging from organics formed via ion-molecule and atom-molecule reactions in the cold dark clouds from which such nebulae collapse, to similar ion-molecule and atom-molecule reactions in the dark regions of the nebula far from the proto star, to gas phase reactions in sub-nebulae around growing giant planets and in the nebulae themselves. The Fischer-Tropsch-type (FTT) catalytic reduction of CO by hydrogen was once the preferred model for production of organic materials in the primitive solar nebula. The Haber-Bosch catalytic reduction of N2 by hydrogen was thought to produce the reduced nitrogen found in meteorites. However, the clean iron metal surfaces that catalyze these reactions are easily poisoned via reaction with any number of molecules, including the very same complex organics that they produce and both reactions work more efficiently in the hot regions of the nebula. We have demonstrated that many grain surfaces can catalyze both FTT and HB-type reactions, including amorphous iron and magnesium silicates, pure silica smokes as well as several minerals. Although none work as well as pure iron grains, and all produce a wide range of organic products rather than just pure methane, these materials are not truly catalysts.

  1. Monitoring plan for routine organic air emissions at the Radioactive Waste Management Complex Waste Storage Facilities

    Energy Technology Data Exchange (ETDEWEB)

    Galloway, K.J.; Jolley, J.G.

    1994-06-01

    This monitoring plan provides the information necessary to perform routine organic air emissions monitoring at the Waste Storage Facilities located at the Transuranic Storage Area of the Radioactive Waste Management Complex at the Idaho National Engineering Laboratory. The Waste Storage Facilities include both the Type I and II Waste Storage Modules. The plan implements a dual method approach where two dissimilar analytical methodologies, Open-Path Fourier Transform Infrared Spectroscopy (OP-FTIR) and ancillary SUMMA{reg_sign} canister sampling, following the US Environmental Protection Agency (EPA) analytical method TO-14, will be used to provide qualitative and quantitative volatile organic concentration data. The Open-Path Fourier Transform Infrared Spectroscopy will provide in situ, real time monitoring of volatile organic compound concentrations in the ambient air of the Waste Storage Facilities. To supplement the OP-FTIR data, air samples will be collected using SUMMA{reg_sign}, passivated, stainless steel canisters, following the EPA Method TO-14. These samples will be analyzed for volatile organic compounds with gas chromatograph/mass spectrometry analysis. The sampling strategy, procedures, and schedules are included in this monitoring plan. The development of this monitoring plan is driven by regulatory compliance to the Resource Conservation and Recovery Act, State of Idaho Toxic Air Pollutant increments, Occupational Safety and Health Administration. The various state and federal regulations address the characterization of the volatile organic compounds and the resultant ambient air emissions that may originate from facilities involved in industrial production and/or waste management activities.

  2. At Home in the Universe - The Search for the Laws of Self-Organization and Complexity

    Science.gov (United States)

    Kauffman, Stuart

    1995-09-01

    A major scientific revolution has begun, a new paradigm that rivals Darwin's theory in importance. At its heart is the discovery of the order that lies deep within the most complex of systems, from the origin of life, to the workings of giant corporations, to the rise and fall of great civilizations. And more than anyone else, this revolution is the work of one man, Stuart Kauffman, a MacArthur Fellow and visionary pioneer of the new science of complexity. Now, in At Home in the Universe , Kauffman brilliantly weaves together the excitement of intellectual discovery and a fertile mix of insights to give the general reader a fascinating look at this new science--and at the forces for order that lie at the edge of chaos.We all know of instances of spontaneous order in nature--an oil droplet in water forms a sphere, snowflakes have a six-fold symmetry. What we are only now discovering, Kauffman says, is that the range of spontaneous order is enormously greater than we had supposed. Indeed, self-organization is a great undiscovered principle of nature. But how does this spontaneous order arise? Kauffman contends that complexity itself triggers self-organization, or what he calls "order for free," that if enough different molecules pass a certain threshold of complexity, they begin to self-organize into a new entity--a living cell. Kauffman uses the analogy of a thousand buttons on a rug--join two buttons randomly with thread, then another two, and so on. At first, you have isolated pairs; later, small clusters; but suddenly at around the 500th repetition, a remarkable transformation occurs--much like the phase transition when water abruptly turns to ice--and the buttons link up in one giant network. Likewise, life may have originated when the mix of different molecules in the primordial soup passed a certain level of complexity and self-organized into living entities (if so, then life is not a highly improbable chance event, but almost inevitable). Kauffman uses the

  3. Organic light-emitting diodes incorporating nanometer thick films of europium-cored complexes

    Science.gov (United States)

    Phelan, Gregory D.; Carlson, Brenden; Jiang, Xuezhong; Jen, Alex K. Y.; Dalton, Larry R.

    2002-11-01

    Europium cored complexes may be used as a source of red emission in light emitting diodes. Novel europium cored complexes have been synthesized and incorporated into organic light emitting diodes (OLED's). These complexes emit red light at 615 nm with a full width half maximum (FWHM) of less than 5 nm. The europium complexes consist of one equivalent of europium chelated to three equivalents of a nonsymmetrical β-diketone ligand. The Claissen condensation of a polycyclic aromatic sensitizer and an ester of a fluorinated carboxylic acid create the ligands. The use of a sensitizer such as phenanthrene results in a ligand that has an emission band that directly overlaps with the absorption band of europium. The use of fluorinated chains improves the overall processibility as well as the charge transfer capability of the resulting metal cored complex. The europium core is further encapsulated by the inclusion of an additional polycyclic aromatic compound such as 4, 7 diphenyl - 1, 10 phenanthroline. Emission of 615 nm light is accomplished through excitation of the ligand and efficient Forrester energy transfer to the europium complex. A multiple layer device consisting of a substrate of indium tin oxide, followed by thin layers of BTPD-PFCB (with a thickness of 20nm), a polymer blend containing the europium complex (30 nm), followed by a layer of calcium (50nm) and finally a protective layer of silver (120 nm). The polymer blends were either poly(n-vinyl carbazole)(PVK) or poly vinyl naphthalene (PVN). The device performance was further improved by the incorporation of another lanthanide metal complex. These complexes were based upon similar ligands surrounding gadolinium. In these devices, there is a Dexter energy transfer as well as the Forster energy transfer. For the devices that are based on a PVN:PBD as a polymer host, the lowest turn on voltage was 12.0 volts. The devices that use PVK:TPD devices was 178 cd/m2 with an external quantum efficiency of 0.61%.For

  4. Effects of complexation between organic matter (OM) and clay mineral on OM pyrolysis

    Science.gov (United States)

    Bu, Hongling; Yuan, Peng; Liu, Hongmei; Liu, Dong; Liu, Jinzhong; He, Hongping; Zhou, Junming; Song, Hongzhe; Li, Zhaohui

    2017-09-01

    The stability and persistence of organic matter (OM) in source rocks are of great significance for hydrocarbon generation and the global carbon cycle. Clay-OM associations commonly occur in sedimentation and diagenesis processes and can influence the pyrolytic behaviors of OM. In this study, clay-OM complexes, i.e., interlayer clay-OM complexes and clay-OM mixture, were prepared and exposed to high-pressure pyrolysis conditions in confined gold capsule reactors to assess variations in OM pyrolysis products in the presence of clay minerals. Three model organic compounds, octadecanoic acid (OA), octadecy trimethyl ammonium bromide (OTAB), and octadecylamine (ODA), were employed and montmorillonite (Mt) was selected as the representative clay mineral. The solid acidity of Mt plays a key role in affecting the amount and composition of the pyrolysis gases generated by the clay-OM complexes. The Brønsted acid sites significantly promote the cracking of hydrocarbons through a carbocation mechanism and the isomerization of normal hydrocarbons. The Lewis acid sites are primarily involved in the decarboxylation reaction during pyrolysis and are responsible for CO2 generation. Mt exhibits either a catalysis effect or pyrolysis-inhibiting during pyrolysis of a given OM depending on the nature of the model organic compound and the nature of the clay-OM complexation. The amounts of C1-5 hydrocarbons and CO2 that are released from the Mt-OA and Mt-ODA complexes were higher than those of the parent OA and ODA, respectively, indicating a catalysis effect of Mt. In contrast, the amount of C1-5 hydrocarbons produced from the pyrolysis of Mt-OTAB complexes was lower than that of OTAB, which we attribute to an inhibiting effect of Mt. This pyrolysis-inhibiting effect works through the Hoffmann elimination that is promoted by the catalysis of the Brønsted acid sites of Mt, therefore releasing smaller amounts of gas hydrocarbons than the nucleophilic reaction that is induced by the

  5. CARBON DIOXIDE INFLUENCE ON THE THERMAL FORMATION OF COMPLEX ORGANIC MOLECULES IN INTERSTELLAR ICE ANALOGS

    Energy Technology Data Exchange (ETDEWEB)

    Vinogradoff, V.; Fray, N.; Bouilloud, M.; Cottin, H. [LISA Laboratoire Interuniversitaire des Systèmes Atmosphériques, UMR CNRS 7583, Université Paris Est Créteil (UPEC), Université Paris Diderot (UPD), Institut Pierre Simon Laplace, Labex ESEP, Paris (France); Duvernay, F.; Chiavassa, T., E-mail: vvinogradoff@mnhn.fr [PIIM, Laboratoire de Physique des Interactions Ioniques et Moléculaires, Université Aix-Marseille, UMR CNRS 7345, Marseille (France)

    2015-08-20

    Interstellar ices are submitted to energetic processes (thermal, UV, and cosmic-ray radiations) producing complex organic molecules. Laboratory experiments aim to reproduce the evolution of interstellar ices to better understand the chemical changes leading to the reaction, formation, and desorption of molecules. In this context, the thermal evolution of an interstellar ice analogue composed of water, carbon dioxide, ammonia, and formaldehyde is investigated. The ice evolution during the warming has been monitored by IR spectroscopy. The formation of hexamethylenetetramine (HMT) and polymethylenimine (PMI) are observed in the organic refractory residue left after ice sublimation. A better understanding of this result is realized with the study of another ice mixture containing methylenimine (a precursor of HMT) with carbon dioxide and ammonia. It appears that carbamic acid, a reaction product of carbon dioxide and ammonia, plays the role of catalyst, allowing the reactions toward HMT and PMI formation. This is the first time that such complex organic molecules (HMT, PMI) are produced from the warming (without VUV photolysis or irradiation with energetic particles) of abundant molecules observed in interstellar ices (H{sub 2}O, NH{sub 3}, CO{sub 2}, H{sub 2}CO). This result strengthens the importance of thermal reactions in the ices’ evolution. HMT and PMI, likely components of interstellar ices, should be searched for in the pristine objects of our solar system, such as comets and carbonaceous chondrites.

  6. Organization of the Escherichia coli aerobic enzyme complexes of oxidative phosphorylation in dynamic domains within the cytoplasmic membrane.

    Science.gov (United States)

    Erhardt, Heiko; Dempwolff, Felix; Pfreundschuh, Moritz; Riehle, Marc; Schäfer, Caspar; Pohl, Thomas; Graumann, Peter; Friedrich, Thorsten

    2014-06-01

    The Escherichia coli cytoplasmic membrane contains the enzyme complexes of oxidative phosphorylation (OXPHOS). Not much is known about their supramolecular organization and their dynamics within the membrane in this model organism. In mitochondria and other bacteria, it was demonstrated by nondenaturing electrophoretic methods and electron microscopy that the OXPHOS complexes are organized in so-called supercomplexes, stable assemblies with a defined number of the individual enzyme complexes. To investigate the organization of the E. coli enzyme complexes of aerobic OXPHOS in vivo, we established fluorescent protein fusions of the NADH:ubiquinone oxidoreductase, the succinate:ubiquinone oxidoreductase, the cytochrome bd-I, and the cytochrome bo3 terminal oxidases, and the FoF1 ATP-synthase. The fusions were integrated in the chromosome to prevent artifacts caused by protein overproduction. Biochemical analysis revealed that all modified complexes were fully assembled, active, and stable. The distribution of the OXPHOS complexes in living cells was determined using total internal reflection fluorescence microscopy. The dynamics within the membrane were detected by fluorescence recovery after photobleaching. All aerobic OXPHOS complexes showed an uneven distribution in large mobile patches within the E. coli cytoplasmic membrane. It is discussed whether the individual OXPHOS complexes are organized as clustered individual complexes, here called "segrazones."

  7. Complexation with dissolved organic matter and solubility control of heavy metals in a sandy soil.

    Science.gov (United States)

    Weng, Liping; Temminghoff, Erwin J M; Lofts, Stephen; Tipping, Edward; Van Riemsdijk, Willem H

    2002-11-15

    The complexation of heavy metals with dissolved organic matter (DOM) in the environment influences the solubility and mobility of these metals. In this paper, we measured the complexation of Cu, Cd, Zn, Ni, and Pb with DOM in the soil solution at pH 3.7-6.1 using a Donnan membrane technique. The results show that the DOM-complexed species is generally more significant for Cu and Pb than for Cd, Zn, and Ni. The ability of two advanced models for ion binding to humic substances, e.g., model VI and NICA-Donnan, in the simulation of metal binding to natural DOM was assessed by comparing the model predictions with the measurements. Using the default parameters of fulvic and humic acid, the predicted concentrations of free metal ions from the solution speciation calculation using the two models are mostly within 1 order of magnitude difference from the measured concentrations, except for Ni and Pb in a few samples. Furthermore, the solid-solution partitioning of the metals was simulated using a multisurface model, in which metal binding to soil organic matter, dissolved organic matter, clay, and iron hydroxides was accounted for using adsorption and cation exchange models (NICA-Donnan, Donnan, DDL, CD-MUSIC). The model estimation of the dissolved concentration of the metals is mostly within 1 order of magnitude difference from those measured except for Ni in some samples and Pb. The solubility of the metals depends mainly on the metal loading over soil sorbents, pH, and the concentration of inorganic ligands and DOM in the soil solution.

  8. Organic Film Photovoltaic Cells with Gadolinium Complex as an Electron Acceptor

    Institute of Scientific and Technical Information of China (English)

    范镝; 初蓓; 李文连; 洪自若

    2004-01-01

    A series of organic photovoltaic (PV) cells in which the electron acceptor and donor are gadolinium (dibenzoylmethanato)3(bathophenanthroline) [Gd(DBM)3bath] and N,N′-diphenyl-N,N′bis(3-methylphenyl)-1,1′-diphenyl-4,4′-diamine [TPD], respectively, were fabricated. Although TPD acts as an active layer in the bilayered cells, insertion of a Gd-complex film between TPD and the alloy cathode is necessary for efficient carrier photogeneration. Open-circuit voltage of 3.2 V was obtained due to efficient exciton dissociation near the interface between Gd(DBM)3bath and TPD. By incorporating an ultrathin mixed layer of Gd-complex and TPD, external quantum efficiency is improved significantly. Photovoltaic performance of the devices has a common origin, exciplex formation, which results in broadband emission during both photoluminescent and the electroluminescent processes.

  9. Dynamic self-organization phenomena in complex ionized gas systems: new paradigms and technological aspects

    Science.gov (United States)

    Vladimirov, S. V.; Ostrikov, K.

    2004-04-01

    An overview of dynamic self-organization phenomena in complex ionized gas systems, associated physical phenomena, and industrial applications is presented. The most recent experimental, theoretical, and modeling efforts to understand the growth mechanisms and dynamics of nano- and micron-sized particles, as well as the unique properties of the plasma-particle systems (colloidal, or complex plasmas) and the associated physical phenomena are reviewed and the major technological applications of micro- and nanoparticles are discussed. Until recently, such particles were considered mostly as a potential hazard for the microelectronic manufacturing and significant efforts were applied to remove them from the processing volume or suppress the gas-phase coagulation. Nowadays, fine clusters and particulates find numerous challenging applications in fundamental science as well as in nanotechnology and other leading high-tech industries.

  10. The influence of novel organic gold complex on photoresist layers of printed circuit boards

    Directory of Open Access Journals (Sweden)

    Silvana Dimitrijević

    2015-12-01

    Full Text Available The goal of this paper was to study the influence of organic gold complex based on mercaptotriazole on photoresist layers used in manufacturing of printed circuit boards (PCBs. Investigations were performed by immersion the previously prepared boards in electrolytes with different pH values (pH=2, 4, 7, 9 and 12 at gold concentration of 2.5 g/dm3 and in gold complexes with different gold concentrations (1.5; 2.0; 2.5; 3.0 and 3.5 g/dm3 at pH value of pH=9. Investigations showed that photoresist layers on boards are the most resistant at optimal operating conditions, pH=9 and concentration of gold of 2.5 g/dm3.

  11. High-Performance Flexible Thin-Film Transistors Based on Single-Crystal-like Silicon Epitaxially Grown on Metal Tape by Roll-to-Roll Continuous Deposition Process.

    Science.gov (United States)

    Gao, Ying; Asadirad, Mojtaba; Yao, Yao; Dutta, Pavel; Galstyan, Eduard; Shervin, Shahab; Lee, Keon-Hwa; Pouladi, Sara; Sun, Sicong; Li, Yongkuan; Rathi, Monika; Ryou, Jae-Hyun; Selvamanickam, Venkat

    2016-11-02

    Single-crystal-like silicon (Si) thin films on bendable and scalable substrates via direct deposition are a promising material platform for high-performance and cost-effective devices of flexible electronics. However, due to the thick and unintentionally highly doped semiconductor layer, the operation of transistors has been hampered. We report the first demonstration of high-performance flexible thin-film transistors (TFTs) using single-crystal-like Si thin films with a field-effect mobility of ∼200 cm(2)/V·s and saturation current, I/lW > 50 μA/μm, which are orders-of-magnitude higher than the device characteristics of conventional flexible TFTs. The Si thin films with a (001) plane grown on a metal tape by a "seed and epitaxy" technique show nearly single-crystalline properties characterized by X-ray diffraction, Raman spectroscopy, reflection high-energy electron diffraction, and transmission electron microscopy. The realization of flexible and high-performance Si TFTs can establish a new pathway for extended applications of flexible electronics such as amplification and digital circuits, more than currently dominant display switches.

  12. Fabrication of an Organic Light-Emitting Diode from New Host π Electron Rich Zinc Complex

    Science.gov (United States)

    Jafari, Mohammad Reza; Janghouri, Mohammad; Shahedi, Zahra

    2016-09-01

    A new π electron rich zinc complex was used as a fluorescent material in organic light-emitting diodes (OLEDs). Devices with a structure of indium tin oxide/poly (3,4-ethylenedi-oxythiophene):poly(styrenesulfonate) (PEDOT: PSS) (50 nm)/polyvinylcarbazole (60 nm)/Zn: %2 porphyrin derivatives (45 nm)/Al (150 nm) were fabricated. Porphyrin derivatives accounting for 2 wt.% in the π electron rich zinc complex were used as a host. The electroluminescence (EL) spectra of porphyrin derivatives indicated a red shift, as π electron rich zinc complex EL spectra. The device (4) has also a luminance of 3420 cd/m2 and maximum efficiency of 1.58 cd/A at 15 V, which are the highest values among four devices. The result of Commission International del'Eclairage (CIE) (X, Y) coordinate and EL spectrum of device (3) indicated that it is more red shifted compared to other devices. Results of this work indicate that π electron rich zinc complex is a promising host material for high efficiency red OLEDs and has a simple structure compared to Alq3-based devices.

  13. Half-sandwich cobalt complexes in the metal-organic chemical vapor deposition process

    Energy Technology Data Exchange (ETDEWEB)

    Georgi, Colin [Technische Universität Chemnitz, Faculty of Natural Science, Institute of Chemistry, Inorganic Chemistry, Chemnitz 09107 (Germany); Hapke, Marko; Thiel, Indre [Leibniz-Institut für Katalyse e.V. an der Universität Rostock (LIKAT), Albert-Einstein-Straße 29a, Rostock 18059 (Germany); Hildebrandt, Alexander [Technische Universität Chemnitz, Faculty of Natural Science, Institute of Chemistry, Inorganic Chemistry, Chemnitz 09107 (Germany); Waechtler, Thomas; Schulz, Stefan E. [Fraunhofer Institute of Electronic Nano Systems (ENAS), Technologie-Campus 3, Chemnitz 09126 (Germany); Technische Universität Chemnitz, Center for Microtechnologies (ZfM), Chemnitz 09107 (Germany); Lang, Heinrich, E-mail: heinrich.lang@chemie.tu-chemnitz.de [Technische Universität Chemnitz, Faculty of Natural Science, Institute of Chemistry, Inorganic Chemistry, Chemnitz 09107 (Germany)

    2015-03-02

    A series of cobalt half-sandwich complexes of type [Co(η{sup 5}-C{sub 5}H{sub 5})(L)(L′)] (1: L, L′ = 1,5-hexadiene; 2: L = P(OEt){sub 3}, L′ = H{sub 2}C=CHSiMe{sub 3}; 3: L = L′ = P(OEt){sub 3}) has been studied regarding their physical properties such as the vapor pressure, decomposition temperature and applicability within the metal-organic chemical vapor deposition (MOCVD) process, with a focus of the influence of the phosphite ligands. It could be shown that an increasing number of P(OEt){sub 3} ligands increases the vapor pressure and thermal stability of the respective organometallic compound. Complex 3 appeared to be a promising MOCVD precursor with a high vapor pressure and hence was deposited onto Si/SiO{sub 2} (100 nm) substrates. The resulting reflective layer is closed, dense and homogeneous, with a slightly granulated surface morphology. X-ray photoelectron spectroscopy (XPS) studies demonstrated the formation of metallic cobalt, cobalt phosphate, cobalt oxide and cobalt carbide. - Highlights: • Thermal studies and vapor pressure measurements of cobalt half-sandwich complexes was carried out. • Chemical vapor deposition with cobalt half-sandwich complexes is reported. • The use of Co-phosphites results in significant phosphorous-doped metallic layers.

  14. High performance liquid chromatography study of complex oxygenated alkane mixtures from organic aerosols

    Science.gov (United States)

    Kalafut-Pettibone, Alicia J.; Klems, Joseph P.; McGivern, W. Sean

    2013-05-01

    The composition of secondary organic aerosol particles is of primary importance both in identifying particle sources and in determining physical parameters, such as cloud condensation nucleus propensity. Further, measurements of composition are valuable in determining the chemistry of formation and aging. In this work, we describe the application of a recently-developed derivatization technique to a complex synthetic organic aerosol derived from the photolysis of 1-iodooctane. The technique utilizes high-performance liquid chromatography (HPLC) coupled to both ultravioletvisible (UV/VIS) spectroscopy and tandem mass spectrometry (MS-MS) to determine the overall distribution of hydroxyl (OH), non-acid carbonyl (C=O), and carboxylic acid (COOH) moieties as well as the specific identities of chromatographically separated products. This composition data will then be used to constrain models of the particle formation mechanisms.

  15. Occupational safety and health as an element of a complex compensation system evaluation within an organization.

    Science.gov (United States)

    Beck-Krala, Ewa; Klimkiewicz, Katarzyna

    2016-12-01

    Occupational safety and health (OSH) plays a significant role in today's organizations, because it helps in attracting and retaining employees as well as molding their attitudes and behaviors at work. This is why the issue of OSH is stressed in a comprehensive approach to employee rewards: the total reward concept. This article explains how OSH may be included in a complex evaluation process of the compensation system. Although the literature on the effectiveness of employee compensation refers mainly to financial and non-financial components, there is a need for inclusion of working conditions in such analyses. An evaluation of the compensation system that incorporates OSH can drive many benefits for both the organization and employees. Obtaining such benefits, however, requires systematic evaluation of the reward system, including OSH. Incorporation of OSH issue within the comprehensive analysis of compensation systems promotes responsible behavior of all stakeholders.

  16. A simple method for determining water content in organic solvents based on cobalt(II) complexes

    Institute of Scientific and Technical Information of China (English)

    Lin Zhou; Xiao Hua Liu; Hai Xin Bai; Hong Juan Wang

    2011-01-01

    A method to determine water content in organic solvents was developed based on the color change of cobalt(II) nitrate in different solvents. The color-change mechanism and optimal conditions for determining the water content were investigated. The results showed that there was a good linear relationships between the absorbance of cobalt(II) complexes in organic solvents and water contents with y in 0.9989~0.9994. This method has the advantages of low cost, good reproducibility, good sensitivity, simple in operation, fast in detection, friendly to the environment and no limitation on linear range for determining water content. It was used to determine water in samples with a satisfactory recovery in 97.81%~101.24%.

  17. The census of complex organic molecules in the solar type protostar IRAS16293-2422

    CERN Document Server

    Jaber, Ali A; Kahane, C; Caux, E

    2014-01-01

    Complex Organic Molecules (COMs) are considered crucial molecules, since they are connected with organic chemistry, at the basis of the terrestrial life. More pragmatically, they are molecules in principle difficult to synthetize in the harsh interstellar environments and, therefore, a crucial test for astrochemical models. Current models assume that several COMs are synthesised on the lukewarm grain surfaces ($\\gtrsim$30-40 K), and released in the gas phase at dust temperatures $\\gtrsim$100 K. However, recent detections of COMs in $\\lesssim$20 K gas demonstrate that we still need important pieces to complete the puzzle of the COMs formation. We present here a complete census of the oxygen and nitrogen bearing COMs, previously detected in different ISM regions, towards the solar type protostar IRAS16293-2422. The census was obtained from the millimeter-submillimeter unbiased spectral survey TIMASSS. Six COMs, out of the 29 searched for, were detected: methyl cyanide, ketene, acetaldehyde, formamide, dimethyl ...

  18. The Formation of Complex Organic Compounds in Astrophysical Ices and their Implications for Astrobiology

    Science.gov (United States)

    Sandford, Scott A.

    2015-01-01

    Ices in astrophysical environments are generally dominated by very simple molecules like H2O, CH3OH, CH4, NH3, CO, CO2, etc, although they likely contain PAHs as well. These molecules, particularly H2O, are of direct interest to astrobiology in-and-of themselves since they represent some of the main carriers of the biogenic elements C, H, O, and N. In addition, these compounds are present in the dense interstellar clouds in which new stars and planetary systems are formed and may play a large role in the delivery of volatiles and organics to the surfaces of new planets. However, these molecules are all far simpler than the more complex organic compounds found in living systems.

  19. Sod-podzolic soils with a complex organic profile of the southern Vyatka River basin

    Science.gov (United States)

    Prokashev, A. M.; Soboleva, E. S.; Chepurnov, R. R.; Matushkin, A. S.; Ohorzin, N. D.; Borodaty, I. L.; Zhuikova, I. A.; Alalykina, I. Y.; Russkikh, G. A.; Pupysheva, S. A.; Mokrushin, S. L.; Vartan, I. A.

    2016-08-01

    The article is devoted to the morphology and substantive properties of the sod- podzolic soils with a complex organic profile having the second humus horizons and found on the southern right bank of the lower Vyatka River. The research results of the mineral and organic phases are the evidence of the relict origin of the second humus horizon as well as the evidence of profile polygenicity of the given soils. They went through two fundamentally different pedogenesis stages during the postglacial period: 1) the developmental accumulative evolution stage in the first half of the Holocene and 2) the accumulative-eluvial stage of erasing evolution including the elements of inheriting evolution in the second half of the Holocene. Keywords: granulometric composition, fractional and group composition, humus age, genesis, soil evolution

  20. The Spatial Distribution of Complex Organic Molecules in the L1544 Pre-stellar Core

    OpenAIRE

    2016-01-01

    The detection of complex organic molecules (COMs) toward cold sources such as pre-stellar cores (with T=30 mag within the inner 2700 au; and a low-density shell with average Av~7.5-8 mag located at 4000 au from the core's center and bright in CH3OH. Our observations show that CH3O, CH3OCH3 and CH3CHO are more abundant (by factors ~2-10) toward the low-density shell than toward the continuum peak. Other COMs such as CH3OCHO, c-C3H2O, HCCCHO, CH2CHCN and HCCNC show slight enhancements (by factors

  1. Zirconia-based luminescent organic-inorganic hybrid materials with ternary europium (III) complexes bonded

    Science.gov (United States)

    Yang, Jing; Li, Zhiqiang; Xu, Yang; Wang, Yige

    2016-05-01

    In this work, a novel red-emitting organic-inorganic hybrid material with europium (III) lanthanide β-diketonate complexes linked to a zirconia was reported, which was realized by adduct formation with zirconia-tethered terpyridine moieties. Luminescence enhancement of the hybrid material has been observed compared with pure Eu(tta)3·2H2O. Transparent and strongly luminescent thin films based on PMMA were also prepared at room temperature, which are highly luminescent under UV-light irradiation and possess a promising prospect in the area of optics.

  2. Comparison of complexation properties of humic acids and simple organic ligands

    Directory of Open Access Journals (Sweden)

    Martina Klucakova*

    2010-12-01

    Full Text Available Simple organic compounds as citric acid, phthalic acid, salicylicacid, EDTA, hydroquinone and pyrocatechol were used as structural models of active sites of humic acids. Combination of high resolution ultrasound spectrometry with potentiometry,conductometry and UV/VIS spectrometry were utilized forcomplexation of copper (II ions by humic acids and modelcompounds. Changes in the slope of measured quantities were used to find the saturation of binding. Ultrasound spectrometry showed follow changes of hydration of interacting species. The differences observed for individual model compounds show that there are active centres not only with various strength and stability of formed complexes but also with their various rigidity and ability of conformational changes.

  3. Self-Organized Criticality with Complex Scaling Exponents in the Train Model

    CERN Document Server

    Elmer, F J

    1997-01-01

    The train model which is a variant of the Burridge-Knopoff earthquake model is investigated for a velocity-strengthening friction law. It shows self-organized criticality with complex scaling exponents. That is, the probability density function of the avalanche strength is a power law times a log-periodic function. Exact results (scaling exponent: $3/2+2\\pi i/\\ln 4$) are found for a nonlocal cellular automaton which approximates the overdamped train model. Further the influence of random static friction is discussed.

  4. No Fundamental Limitation on Studying Living Organisms and Other Complex Systems with Statistical Methods

    CERN Document Server

    Thomas, Drew M

    2012-01-01

    Although the state of living organisms is affected by many interrelated and unidentified variables, one need not invoke this to explain the "Truth Wears Off" or "decline" effect, and this complexity imposes no fundamental limitation on statistical inference. Similar "decline" effects occur in physics as well as the biomedical sciences; selective reporting and publication bias, and scientists' biases in favour of reporting eye-catching results (in biomedical sciences and psychology) or conforming to others' results (in physics) better explain this feature of the "Truth Wears Off" effect than Rabin's suggested limitation on statistical inference.

  5. A novel Cu(I) complex based organic ultraviolet optical sensor

    Institute of Scientific and Technical Information of China (English)

    车广波; 刘春波; 徐占林; 李文连; 孔治国; 王庆伟

    2009-01-01

    A novel Cu(I) complex with the formula of [Cu(DPEphos)(Dicnq)]BF4(CuDD) was synthesized and characterized by X-ray single crystal diffraction method,in which DPEphos and Dicnq denote bis[2-(diphenylphosphino)phenyl]ether and 6,7-Dicyanodipyrido[2,2-d:2',3'-f] quinoxaline,respectively.Organic ultraviolet optical sensor based on photovoltaic diode is fabricated by using CuDD as an electron acceptor and 4,4′,4″-tris-(2-methylphenyl phenylamino) triphenylamine(m-MTDATA) as an electron donor.The sensor is sensit...

  6. Synthesis and light-emitting properties of organic electroluminescent compounds and their metal complexes

    Institute of Scientific and Technical Information of China (English)

    CUI Jianzhong; Kim Sung-Hoon

    2004-01-01

    Several organic electroluminescent (EL) compounds, 2,2′-(1,4-phenylenedivinylene)bis-3,3-dimethyl-in- dolenine (1), 2,2′-(1,4-phenylenedivinylene)bis-benzoxazole (2), 2,2′-(1,4-phenylenedivinylene)bis-benzothiazole (3), 4,4′- (1,4-phenylenedivinylene)bis-quinoline (4), 2,2′-(1,4-phenyle- nedivinylene)bis-quinoline (5), 2,2′-(1,4-phenylenedivinyle- ne)bis-1,3,3-trimethyl-indolenine dichlo ride (6), 2,2′-(1,4- phenylene-divinylene)bis-1-hydro-3,3-dimethyl-indolenine dichloride (7), 2,2′-(1,4-phenylenedivinylene)bis-8-acetoxy- quinoline (8), 2,2′-(1,4-phenylenedivinylene)bis-8-hydroxyq- uinoline (9) and metal complexes of 9, Al(PHQ) (10) and Zn(PHQ) (11), have been synthesized and characterized. The crystal structure of 6 was determined. Light emitting properties of the prepared compounds have been investigated. 1 produces an orange-yellow emission (λmax = 575 nm). The cation, 6, gives a red emission (λmax = 607 nm), which is shifted 32 nm to the red compared to 1. 8 produces a yellow emission (λmax = 567 nm). The metal complex 10 gives a red emission (λmax = 610 nm), which is a red shift of 43 nm compared to 8. The change in structure in the prepared compound caused a change in the electron distribution in the compounds, which induces a large wavelength shift of the emitted-light. Thermal analysis showed that the decomposition temperatures of the metal complexes (10, 11) were higher than those for the smaller organic molecular compounds (1-9). Therefore, metal complexes (10, 11) can be used as EL materials over a larger temperature range.

  7. Life’s Order, Complexity, Organization, and Its Thermodynamic–Holistic Imperatives

    Directory of Open Access Journals (Sweden)

    Richard Egel

    2012-11-01

    Full Text Available In memoriam Jeffrey S. Wicken (1942–2002—the evolutionarily minded biochemist, who in the 1970/80s strived for a synthesis of biological and physical theories to fathom the tentative origins of life. Several integrative concepts are worth remembering from Wicken’s legacy. (i Connecting life’s origins and complex organization to a preexisting physical world demands a thermodynamically sound transition. (ii Energetic ‘charging’ of the prebiosphere must precede the emergence of biological organization. (iii Environmental energy gradients are exploited progressively, approaching maximum interactive structure and minimum dissipation. (iv Dynamic self-assembly of prebiotic organic matter is driven by hydrophobic tension between water and amphiphilic building blocks, such as aggregating peptides from non-polar amino acids and base stacking in nucleic acids. (v The dynamics of autocatalytic self-organization are facilitated by a multiplicity of weak interactions, such as hydrogen bonding, within and between macromolecular assemblies. (vi The coevolution of (initially uncoded proteins and nucleic acids in energy-coupled and metabolically active so-called ‘microspheres’ is more realistic as a kinetic transition model of primal biogenesis than ‘hypercycle replication’ theories for nucleic acid replicators on their own. All these considerations blend well with the current understanding that sunlight UV-induced photo-electronic excitation of colloidal metal sulfide particles appears most suitable as a prebiotic driver of organic synthesis reactions, in tight cooperation with organic, phase-separated, catalytic ‘microspheres’. On the ‘continuist vs. miraculist’ schism described by Iris Fry for origins-of-life considerations (Table 1, Wicken was a fervent early protagonist of holistic ‘continuist’ views and agenda.

  8. Bions: a family of biomimetic mineralo-organic complexes derived from biological fluids.

    Directory of Open Access Journals (Sweden)

    Cheng-Yeu Wu

    Full Text Available Mineralo-organic nanoparticles form spontaneously in human body fluids when the concentrations of calcium and phosphate ions exceed saturation. We have shown previously that these mineralo-organic nanoparticles possess biomimetic properties and can reproduce the whole phenomenology of the so-called nanobacteria-mineralized entities initially described as the smallest microorganisms on earth. Here, we examine the possibility that various charged elements and ions may form mineral nanoparticles with similar properties in biological fluids. Remarkably, all the elements tested, including sodium, magnesium, aluminum, calcium, manganese, iron, cobalt, nickel, copper, zinc, strontium, and barium form mineralo-organic particles with bacteria-like morphologies and other complex shapes following precipitation with phosphate in body fluids. Upon formation, these mineralo-organic particles, which we term bions, invariably accumulate carbonate apatite during incubation in biological fluids; yet, the particles also incorporate additional elements and thus reflect the ionic milieu in which they form. Bions initially harbor an amorphous mineral phase that gradually converts to crystals in culture. Our results show that serum produces a dual inhibition-seeding effect on bion formation. Using a comprehensive proteomic analysis, we identify a wide range of proteins that bind to these mineral particles during incubation in medium containing serum. The two main binding proteins identified, albumin and fetuin-A, act as both inhibitors and seeders of bions in culture. Notably, bions possess several biomimetic properties, including the possibility to increase in size and number and to be sub-cultured in fresh culture medium. Based on these results, we propose that bions represent biological, mineralo-organic particles that may form in the body under both physiological and pathological homeostasis conditions. These mineralo-organic particles may be part of a

  9. The Grand Challenges of Organ Banking: Proceedings from the first global summit on complex tissue cryopreservation.

    Science.gov (United States)

    Lewis, Jedediah K; Bischof, John C; Braslavsky, Ido; Brockbank, Kelvin G M; Fahy, Gregory M; Fuller, Barry J; Rabin, Yoed; Tocchio, Alessandro; Woods, Erik J; Wowk, Brian G; Acker, Jason P; Giwa, Sebastian

    2016-04-01

    The first Organ Banking Summit was convened from Feb. 27 - March 1, 2015 in Palo Alto, CA, with events at Stanford University, NASA Research Park, and Lawrence Berkeley National Labs. Experts at the summit outlined the potential public health impact of organ banking, discussed the major remaining scientific challenges that need to be overcome in order to bank organs, and identified key opportunities to accelerate progress toward this goal. Many areas of public health could be revolutionized by the banking of organs and other complex tissues, including transplantation, oncofertility, tissue engineering, trauma medicine and emergency preparedness, basic biomedical research and drug discovery - and even space travel. Key remaining scientific sub-challenges were discussed including ice nucleation and growth, cryoprotectant and osmotic toxicities, chilling injury, thermo-mechanical stress, the need for rapid and uniform rewarming, and ischemia/reperfusion injury. A variety of opportunities to overcome these challenge areas were discussed, i.e. preconditioning for enhanced stress tolerance, nanoparticle rewarming, cyroprotectant screening strategies, and the use of cryoprotectant cocktails including ice binding agents.

  10. Revealing the Organization of Complex Adaptive Systems through Multivariate Time Series Modeling

    Directory of Open Access Journals (Sweden)

    David G. Angeler

    2011-09-01

    Full Text Available Revealing the adaptive responses of ecological, social, and economic systems to a transforming biosphere is crucial for understanding system resilience and preventing collapse. However, testing the theory that underpins complex adaptive system organization (e.g., panarchy theory is challenging. We used multivariate time series modeling to identify scale-specific system organization and, by extension, apparent resilience mechanisms. We used a 20-year time series of invertebrates and phytoplankton from 26 Swedish lakes to test the proposition that a few key-structuring environmental variables at specific scales create discontinuities in community dynamics. Cross-scale structure was manifested in two independent species groups within both communities across lakes. The first species group showed patterns of directional temporal change, which was related to environmental variables that acted at broad spatiotemporal scales (reduced sulfate deposition, North Atlantic Oscillation. The second species group showed fluctuation patterns, which often could not be explained by environmental variables. However, when significant relationships were found, species-group trends were predicted by variables (total organic carbon, nutrients that acted at narrower spatial scales (i.e., catchment and lake. Although the sets of environmental variables that predicted the species groups differed between phytoplankton and invertebrates, the scale-specific imprints of keystone environmental variables for creating cross-scale structure were clear for both communities. Temporal trends of functional groups did not track the observed structural changes, suggesting functional stability despite structural change. Our approach allows for identifying scale-specific patterns and processes, thus providing opportunities for better characterization of complex adaptive systems organization and dynamics. This, in turn, holds potential for more accurate evaluation of resilience in

  11. Enabling the identification, quantification, and characterization of organics in complex mixtures to understand atmospheric aerosols

    Science.gov (United States)

    Isaacman, Gabriel Avram

    Particles in the atmosphere are known to have negative health effects and important but highly uncertain impacts on global and regional climate. A majority of this particulate matter is formed through atmospheric oxidation of naturally and anthropogenically emitted gases to yield highly oxygenated secondary organic aerosol (SOA), an amalgamation of thousands of individual chemical compounds. However, comprehensive analysis of SOA composition has been stymied by its complexity and lack of available measurement techniques. In this work, novel instrumentation, analysis methods, and conceptual frameworks are introduced for chemically characterizing atmospherically relevant mixtures and ambient aerosols, providing a fundamentally new level of detailed knowledge on their structures, chemical properties, and identification of their components. This chemical information is used to gain insights into the formation, transformation and oxidation of organic aerosols. Biogenic and anthropogenic mixtures are observed in this work to yield incredible complexity upon oxidation, producing over 100 separable compounds from a single precursor. As a first step toward unraveling this complexity, a method was developed for measuring the polarity and volatility of individual compounds in a complex mixture using two-dimensional gas chromatography, which is demonstrated in Chapter 2 for describing the oxidation of SOA formed from a biogenic compound (longifolene: C15H24). Several major products and tens of substantial minor products were produced, but none could be identified by traditional methods or have ever been isolated and studied in the laboratory. A major realization of this work was that soft ionization mass spectrometry could be used to identify the molecular mass and formula of these unidentified compounds, a major step toward a comprehensive description of complex mixtures. This was achieved by coupling gas chromatography to high resolution time-of-flight mass spectrometry with

  12. Organic cadmium complexes as proteasome inhibitors and apoptosis inducers in human breast cancer cells.

    Science.gov (United States)

    Zhang, Zhen; Bi, Caifeng; Buac, Daniela; Fan, Yuhua; Zhang, Xia; Zuo, Jian; Zhang, Pengfei; Zhang, Nan; Dong, Lili; Dou, Q Ping

    2013-06-01

    Although cadmium (Cd) is a widespread environmental contaminant and human carcinogen, our studies indicate an organic Cd complex to be a potent inhibitor of proteasomal chymotrypsin-like (CT-like) activity, further capable of inducing apoptosis in a cancer cell-specific manner. It has been reported that the ligands indole-3-butyric acid (L1) and indole-3-propionic acid (L2) have cancer-fighting effects when tested in a rat carcinoma model. In addition, 3, 5-diaminobenzoic acid o-vanillin Schiff bases (L3) have high antimicrobial activity and a large number of Schiff base complexes have been reported to have proteasome-inhibitory activity. We therefore hypothesized that synthetic forms of Cd in combination with L1, L2 and L3 may have proteasome-inhibitory and apoptosis-inducing activities, which would be cancer cell-specific. To test this hypothesis, we have synthesized three novel Cd-containing complexes: [Cd2(C12H12O2N)4(H2O)2]·2H2O (Cd1), [Cd2(C11H10O2N)4(H2O)2]·2H2O (Cd2) and [Cd(C7H4N2O2)(C8H6O2)2]·2H2O (Cd3), by using these three ligands. We sought out to characterize and assess the proteasome-inhibitory and anti-proliferative properties of these three Cd complexes in human breast cancer cells. Cd1, Cd2 and Cd3 were found to effectively inhibit the chymotrypsin-like activity of purified 20S proteasome with IC50 values of 2.6, 3.0 and 3.3 μΜ, respectively. Moreover, inhibition of cancer cell proliferation also correlated with this effect. As a result of proteasomal shutdown, the accumulation of ubiquitinated proteins and the proteasome target IκB-α protein as well as induction of apoptosis were observed. To account for the cancer specificity of this effect, immortalized, non-tumorigenic breast MCF10A cells were used under the same experimental conditions. Our results indicate that MCF10A cells are much less sensitive to the Cd1, Cd2 and Cd3 complexes when compared to MDA MB 231 breast cancer cells. Therefore, our study suggests that these Cd organic

  13. Neuroanatomy of the complex tibial organ in the splay-footed cricket Comicus calcaris Irish 1986 (Orthoptera: Ensifera: Schizodactylidae).

    Science.gov (United States)

    Strauss, Johannes; Lakes-Harlan, Reinhard

    2010-11-15

    The subgenual chordotonal organ complex in insects is modified in ensiferan taxa like Gryllidae and Tettigoniidae into hearing organs with specific sets of auditory receptors. Here, this sensory organ complex is documented in the nonhearing splay-footed cricket Comicus calcaris. The tibial chordotonal organ consists of three parts: the subgenual organ, the intermediate organ, and the crista acustica homolog. The latter is an array of linearly organized neurons homologous to auditory receptors in the tibial hearing organs of Tettigoniidae. The tibial organ is structurally similar in all three leg pairs, with similar neuron numbers in the fore- and midleg, but lower numbers in the hindleg. The foreleg crista acustica homolog consists of 34±4 neurons, the highest number in an atympanate Ensiferan. Additionally, an accessory chordotonal organ with 15±5 neurons innervated by nerve 5B1 is present in the foreleg. The central projection of the tibial organreveals ipsilateral sensory terminals in the primary sensory neuropil, the medial ventral association center with terminations close to the midline. As determined from extracellular recordings, the entire tibial organ is vibrosensitive. The organization of the tibial organ is compared to other ensiferan auditory and nonauditory tibial organs. Spatial orientation of neurons in the crista acustica homolog is not reminiscent of auditory structures, and the neuroanatomy is discussed with respect to stridulation behavior and the evolutionary origin of hearing in Ensifera.

  14. Cationic complexation with dissolved organic matter: Insights from molecular dynamics computer simulations and NMR spectroscopy

    Science.gov (United States)

    Kalinichev, A. G.; Xu, X.; Kirkpatrick, R.

    2006-12-01

    Dissolved organic matter (DOM) is ubiquitous in soil and surface water and plays many important geochemical and environmental roles acting as a proton donor/acceptor and pH buffer and interacting with metal ions, minerals and organic species to form water-soluble and water-insoluble complexes of widely differing chemical and biological stabilities. There are strong correlations among the concentration of DOM and the speciation, solubility and toxicity of many trace metals in soil and water due to metal-DOM interaction. DOM can also significantly negatively affect the performance of nanofiltration and reverse osmosis membranes used industrially for water purification and desalination, being one of the major causes of a so-called `membrane bio- fouling'. The molecular scale mechanisms and dynamics of the DOM interactions with metals and membranes are, however, quite poorly understood. Methods of computational molecular modeling, combined with element- specific nuclear magnetic resonance (NMR) spectroscopy, can serve as highly effective tools to probe and quantify on a fundamental molecular level the DOM interactions with metal cations in aqueous solutions, and to develop predictive models of the molecular mechanisms responsible for the metal-DOM complexation in the environment. This paper presents the results of molecular dynamics (MD) computer simulations of the interaction of DOM with dissolved Na+, Cs+, Mg2+, and Ca2+. Na+ forms only very weak outer-sphere complexes with DOM. These results and the results of other recent molecular modeling efforts (e.g., Sutton et al., Environmental Toxicology and Chemistry, 24, 1902-1911, 2005), clearly indicate that both the structural and dynamic aspects of the cation-DOM complexation follow a simple trend in terms of the charge/size ratio for the ions. Due to the competition between ion hydration in bulk aqueous solution and adsorption of these cations by the negatively charged DOM functional groups (primarily carboxylate

  15. Light Absorption and Energy Transfer in the Antenna Complexes of Photosynthetic Organisms.

    Science.gov (United States)

    Mirkovic, Tihana; Ostroumov, Evgeny E; Anna, Jessica M; van Grondelle, Rienk; Govindjee; Scholes, Gregory D

    2017-01-25

    The process of photosynthesis is initiated by the capture of sunlight by a network of light-absorbing molecules (chromophores), which are also responsible for the subsequent funneling of the excitation energy to the reaction centers. Through evolution, genetic drift, and speciation, photosynthetic organisms have discovered many solutions for light harvesting. In this review, we describe the underlying photophysical principles by which this energy is absorbed, as well as the mechanisms of electronic excitation energy transfer (EET). First, optical properties of the individual pigment chromophores present in light-harvesting antenna complexes are introduced, and then we examine the collective behavior of pigment-pigment and pigment-protein interactions. The description of energy transfer, in particular multichromophoric antenna structures, is shown to vary depending on the spatial and energetic landscape, which dictates the relative coupling strength between constituent pigment molecules. In the latter half of the article, we focus on the light-harvesting complexes of purple bacteria as a model to illustrate the present understanding of the synergetic effects leading to EET optimization of light-harvesting antenna systems while exploring the structure and function of the integral chromophores. We end this review with a brief overview of the energy-transfer dynamics and pathways in the light-harvesting antennas of various photosynthetic organisms.

  16. Existentialism and organization behaviour : How existentialism can have a contribution to complexity theory and sense-making

    NARCIS (Netherlands)

    Blomme, R.J.; Bornebroek te Lintelo, K.

    2012-01-01

    This article aims to develop a conception consisting of insights from complexity theory and additional notions from Weick’s sense-making theory and existentialism for examining organization behaviour.

  17. Existentialism and organization behaviour : How existentialism can have a contribution to complexity theory and sense-making

    NARCIS (Netherlands)

    Blomme, R.J.; Bornebroek te Lintelo, K.

    2012-01-01

    This article aims to develop a conception consisting of insights from complexity theory and additional notions from Weick’s sense-making theory and existentialism for examining organization behaviour.

  18. Small Open Chemical Systems Theory: Its Implications to Darwinian Evolution Dynamics, Complex Self-Organization and Beyond

    National Research Council Canada - National Science Library

    QIAN Hong

    2014-01-01

    The study of biological cells in terms of mesoscopic, nonequilibrium, nonlinear, stochastic dynamics of open chemical systems provides a paradigm for other complex, self-organizing systems with ultra...

  19. Organic complexation of rare earth elements in natural waters: Evaluating model calculations from ultrafiltration data

    Science.gov (United States)

    Pourret, Olivier; Davranche, Mélanie; Gruau, Gérard; Dia, Aline

    2007-06-01

    The Stockholm Humic Model (SHM) and Humic Ion-Binding Models V and VI were compared for their ability to predict the role of dissolved organic matter (DOM) in the speciation of rare earth elements (REE) in natural waters. Unlike Models V and VI, SHM is part of a speciation code that also allows us to consider dissolution/precipitation, sorption/desorption and oxidation/reduction reactions. In this context, it is particularly interesting to test the performance of SHM. The REE specific equilibrium constants required by the speciation models were estimated using linear free-energy relationships (LFER) between the first hydrolysis constants and the stability constants for REE complexation with lactic and acetic acid. Three datasets were used for the purpose of comparison: (i) World Average River Water (Dissolved Organic Carbon (DOC) = 5 mg L -1), previously investigated using Model V, was reinvestigated using SHM and Model VI; (ii) two natural organic-rich waters (DOC = 18-24 mg L -1), whose REE speciation has already been determined with both Model V and ultrafiltration studies, were also reinvestigated using SHM and Model VI; finally, (iii) new ultrafiltration experiments were carried out on samples of circumneutral-pH (pH 6.2-7.1), organic-rich (DOC = 7-20 mg L -1) groundwaters from the Kervidy-Naizin and Petit-Hermitage catchments, western France. The results were then compared with speciation predictions provided by Model VI and SHM, successively. When applied to World Average River Water, both Model VI and SHM yield comparable results, confirming the earlier finding that a large fraction of the dissolved REE in rivers occurs as organic complexes This implies that the two models are equally valid for calculating REE speciation in low-DOC waters at circumneutral-pH. The two models also successfully reproduced ultrafiltration results obtained for DOC-rich acidic groundwaters and river waters. By contrast, the two models yielded different results when compared to

  20. Complexation of arsenite with dissolved organic matter: conditional distribution coefficients and apparent stability constants.

    Science.gov (United States)

    Liu, Guangliang; Cai, Yong

    2010-11-01

    The complexation of arsenic (As) with dissolved organic matter (DOM), although playing an important role in regulating As mobility and transformation, is poorly characterized, as evidenced by scarce reporting of fundamental parameters of As-DOM complexes. The complexation of arsenite (AsIII) with Aldrich humic acid (HA) at different pHs was characterized using a recently developed analytical technique to measure both free and DOM-bound As. Conditional distribution coefficient (KD), describing capacity of DOM in binding AsIII from the mass perspective, and apparent stability constant (Ks), describing stability of resulting AsIII-DOM complexes, were calculated to characterize AsIII-DOM complexation. LogKD of AsIII ranged from 3.7 to 2.2 (decreasing with increase of As/DOM ratio) at pH 5.2, from 3.6 to 2.6 at pH 7, and from 4.3 to 3.2 at pH=9.3, respectively. Two-site ligand binding models can capture the heterogeneity of binding sites and be used to calculate Ks by classifying the binding sites into strong (S1) and weak (S2) groups. LogKs for S1 sites are 7.0, 6.5, and 5.9 for pH 5.2, 7, and 9.3, respectively, which are approximately 1-2 orders of magnitude higher than for weak S2 sites. The results suggest that AsIII complexation with DOM increases with pH, as evidenced by significant spikes in concentrations of DOM-bound AsIII and in KD values at pH 9.3. In contrary to KD, logKs decreased with pH, in particular for S1 sites, probably due to the presence of negatively charged H2AsO3- and the involvement of metal-bridged AsIII-DOM complexation at pH 9.3.

  1. Persistence and potential effects of complex organic contaminant mixtures in wastewater-impacted streams

    Science.gov (United States)

    Barber, Larry B.; Keefe, Steffanie H.; Brown, Greg K.; Furlong, Edward T.; Gray, James L.; Kolpin, Dana W.; Meyer, Michael T.; Sandstrom, Mark W.; Zaugg, Steven D.

    2013-01-01

    Natural and synthetic organic contaminants in municipal wastewater treatment plant (WWTP) effluents can cause ecosystem impacts, raising concerns about their persistence in receiving streams. In this study, Lagrangian sampling, in which the same approximate parcel of water is tracked as it moves downstream, was conducted at Boulder Creek, Colorado and Fourmile Creek, Iowa to determine in-stream transport and attenuation of organic contaminants discharged from two secondary WWTPs. Similar stream reaches were evaluated, and samples were collected at multiple sites during summer and spring hydrologic conditions. Travel times to the most downstream (7.4 km) site in Boulder Creek were 6.2 h during the summer and 9.3 h during the spring, and to the Fourmile Creek 8.4 km downstream site times were 18 and 8.8 h, respectively. Discharge was measured at each site, and integrated composite samples were collected and analyzed for >200 organic contaminants including metal complexing agents, nonionic surfactant degradates, personal care products, pharmaceuticals, steroidal hormones, and pesticides. The highest concentration (>100 μg L–1) compounds detected in both WWTP effluents were ethylenediaminetetraacetic acid and 4-nonylphenolethoxycarboxylate oligomers, both of which persisted for at least 7 km downstream from the WWTPs. Concentrations of pharmaceuticals were lower (<1 μg L–1), and several compounds, including carbamazepine and sulfamethoxazole, were detected throughout the study reaches. After accounting for in-stream dilution, a complex mixture of contaminants showed little attenuation and was persistent in the receiving streams at concentrations with potential ecosystem implications.

  2. Supramolecular architecture of metal-organic frameworks involving dinuclear copper paddle-wheel complexes.

    Science.gov (United States)

    Gomathi, Sundaramoorthy; Muthiah, Packianathan Thomas

    2013-12-15

    The two centrosymmetric dinuclear copper paddle-wheel complexes tetrakis(μ-4-hydroxybenzoato-κ(2)O:O')bis[aquacopper(II)] dimethylformamide disolvate dihydrate, [Cu2(C7H5O3)4(H2O)2]·2C3H7NO·2H2O, (I), and tetrakis(μ-4-methoxybenzoato-κ(2)O:O')bis[(dimethylformamide-κO)copper(II)], [Cu2(C8H7O3)4(C3H7NO)2], (II), crystallize with half of the dinuclear paddle-wheel cage unit in the asymmetric unit and, in addition, complex (I) has one dimethylformamide (DMF) and one water solvent molecule in the asymmetric unit. In both (I) and (II), two Cu(II) ions are bridged by four syn,syn-η(1):η(1):μ carboxylate groups, showing a paddle-wheel cage-type structure with a square-pyramidal coordination geometry. The equatorial positions of (I) and (II) are occupied by the carboxylate groups of 4-hydroxy- and 4-methoxybenzoate ligands, and the axial positions are occupied by aqua and DMF ligands, respectively. The three-dimensional supramolecular metal-organic framework of (I) consists of three different R2(2)(20) and an R4(4)(36) ring motif formed via O-H···O and OW-HW···O hydrogen bonds. Complex (II) simply packs as molecular species.

  3. Supramolecular complexes of multivalent cholesterol-containing polymers to solubilize carbon nanotubes in apolar organic solvents.

    Science.gov (United States)

    Nguendia, Jules Zeuna; Zhong, Weiheng; Fleury, Alexandre; De Grandpré, Guillaume; Soldera, Armand; Sabat, Ribal Georges; Claverie, Jerome P

    2014-05-01

    Copolymers of 2-ethylhexyl acrylate (EHA) and cholesteryloxycarbonyl-2-hydroxymethacrylate (CEM) were prepared by reversible addition-fragmentation chain-transfer (RAFT) polymerization. Supramolecular complexes of these copolymers with carbon nanotubes (CNTs) were soluble in THF, toluene, and isooctane. The colloidal solutions remained stable for months without aggregation. The rationale for the choice of CEM was based on the high adsorption energy of cholesterol on the CNT surface, as computed by DFT calculations. Adsorption isotherms were experimentally measured for copolymers of various architectures (statistical, diblock, and star copolymers), thereby demonstrating that 2-5 cholesterol groups were adsorbed per polymer chain. Once the supramolecular complex had dried, the CNTs could be easily resolubilized in isooctane without the need for high-power sonication and in the absence of added polymer. Analysis by atomic force microscopy (AFM), scanning electron microscopy (SEM), and transmission electron microscopy (TEM) indicated that the CNTs were devoid of bundles. The supramolecular complexes could also be employed in an inverse emulsion polymerization of 2-hydroxyethylmethacrylate (HEMA) in isooctane and dodecane, thereby leading to the formation of a continuous polymeric sheath around the CNTs. Thus, this technique leads to the formation of very stable dispersions in non-polar organic solvents, without altering the fundamental properties of the CNTs. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Synthesis and application of the novel azomethine metal complexes for the organic electroluminescent devices

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Sung Min; Kim, Jin Soon; Shin, Dong Myung; Kim, Young Kwan; Ha, Yun Kyoung [Hongik Univ., Seoul (Korea, Republic of)

    2001-07-01

    New azomethine metal complexes were synthesized systematically and characterized. Beryllium, magnesium, or zinc ions were used as a central metal cation and aromatic azomethines (L1-L4) were employed as a chelating anionic ligand. Emission peaks of the complexes in both solution and solid states were observed mostly at the region of 400-500 nm in the luminescence spectra, where blue light was emitted. Three of them (BeL1 (I), ZnL2 (II), and ZnL3(III)) were sublimable and thus were applied to the organic light-emitting devices (OLED) as an emitting layer, respectively. The device including the emitting layer of I exhibited white emission with the broad luminescence spectral range. The device with the emitting layer of II showed blue luminescence with the maximum emission peak at 460 nm. Their ionization potentials, electron affinities, and electrochemical band gaps were investigated with cyclic voltammetry. The electrochemical gaps of 2.98 for I, 2.70 for II, and 2.63 eV for III were found to be consistent with their respective optical band gaps of 3.01, 2.95 and 2.61 eV within an experimental error. The structure of OLED manufactured in this study reveals that these complexes can work as electron transporting materials as well.

  5. Study of Ruthenium Complex Sensitizer and Gold Nanoparticles Doped Flexible Organic Solar Cells

    Directory of Open Access Journals (Sweden)

    Cheng-Chiang Chen

    2012-01-01

    Full Text Available This work presents a flexible organic solar cell with a structure for ITO/PEDOT:PSS/P3HT:PCBM+ruthenium complex sensitizer and Au nanoparticles on a flexible substrate. The process and thickness of the PEDOT:PSS hole transport layer and P3HT:PCBM active layer were optimized. A ruthenium complex sensitizer and Au nanoparticles were then introduced into the P3HT:PCBM active layer to improve the performance of solar cells. For the ITO/PEDOT:PSS/P3HT:PCBM+ruthenium complex sensitizer and Au nanoparticles structure on a flexible polyimide (PI substrate under 0.1 and 1 sun conditions, the measured short-circuit current density (Jsc, open-circuit voltage (Voc, fill factor (FF, and efficiency (η are 3.89 and 9.67 mA/cm2, 0.45 and 0.45 V, 0.266 and 0.232, and 4.65 and 1.01%, respectively.

  6. Organization Complexity Level”: a Well-Known Idea as the Basis of a New Scientific Approach

    Directory of Open Access Journals (Sweden)

    Shchapova Yulia L.

    2012-03-01

    Full Text Available A scientific concept based on the notion of hierarchical systems is analyzed in the article. Three types of hierarchical systems, which differ in terms of organization complexity and the nature of relationships and interactions between endogenous elements, are described. The notion of organization complexity is elucidated. On the basis of this theoretical framework, the author demonstrates the various ways the data of natural and mathematical sciences could be used in historical and archaeological research.

  7. Targeted Access to the Genomes of Low Abundance Organisms in Complex Microbial Communities

    Energy Technology Data Exchange (ETDEWEB)

    Podar, Mircea [ORNL; Abulencia, Carl [Diversa Corporation; Walcher, Marion [Diversa Corporation; Hutchinson, Don [Diversa Corporation; Zengler, Karsten [Diversa Corporation; Garcia, Joseph [Diversa Corporation; Holland, Trevin [Diversa Corporation; Cotton, Dave [Diversa Corporation; Hauser, Loren John [ORNL; Keller, Martin [ORNL

    2007-01-01

    Current metagenomic approaches to the study of complex microbial consortia provide a glimpse into the community metabolism, and occasionally allow genomic assemblies for the most abundant organisms. However, little information is gained for the members of the community present at low frequency, especially those representing yet uncultured taxa-which includes the bulk of the diversity present in most environments. Here we used phylogenetically directed cell separation by fluorescence in situ hybridization and flow cytometry, followed by amplification and sequencing of a fraction of the genomic DNA of several bacterial cells that belong to the TM7 phylum. Partial genomic assembly allowed, for the first time, a look into the evolution and potential metabolism of a soil representative from this group of organisms for which there are no species in stable laboratory cultures. Genomic reconstruction from targeted cells of uncultured organisms directly isolated from the environment represents a powerful approach to access any specific members of a community and an alternative way to assess the community metabolic potential.

  8. Targeted access to the genomes of low-abundance organisms in complex microbial communities.

    Science.gov (United States)

    Podar, Mircea; Abulencia, Carl B; Walcher, Marion; Hutchison, Don; Zengler, Karsten; Garcia, Joseph A; Holland, Trevin; Cotton, David; Hauser, Loren; Keller, Martin

    2007-05-01

    Current metagenomic approaches to the study of complex microbial consortia provide a glimpse into the community metabolism and occasionally allow genomic assemblies for the most abundant organisms. However, little information is gained for the members of the community present at low frequencies, especially those representing yet-uncultured taxa, which include the bulk of the diversity present in most environments. Here we used phylogenetically directed cell separation by fluorescence in situ hybridization and flow cytometry, followed by amplification and sequencing of a fraction of the genomic DNA of several bacterial cells that belong to the TM7 phylum. Partial genomic assembly allowed, for the first time, a look into the evolution and potential metabolism of a soil representative from this group of organisms for which there are no species in stable laboratory cultures. Genomic reconstruction from targeted cells of uncultured organisms isolated directly from the environment represents a powerful approach to access any specific members of a community and an alternative way to assess the community's metabolic potential.

  9. The integrator complex subunit 6 (Ints6 confines the dorsal organizer in vertebrate embryogenesis.

    Directory of Open Access Journals (Sweden)

    Lee D Kapp

    2013-10-01

    Full Text Available Dorsoventral patterning of the embryonic axis relies upon the mutual antagonism of competing signaling pathways to establish a balance between ventralizing BMP signaling and dorsal cell fate specification mediated by the organizer. In zebrafish, the initial embryo-wide domain of BMP signaling is refined into a morphogenetic gradient following activation dorsally of a maternal Wnt pathway. The accumulation of β-catenin in nuclei on the dorsal side of the embryo then leads to repression of BMP signaling dorsally and the induction of dorsal cell fates mediated by Nodal and FGF signaling. A separate Wnt pathway operates zygotically via Wnt8a to limit dorsal cell fate specification and maintain the expression of ventralizing genes in ventrolateral domains. We have isolated a recessive dorsalizing maternal-effect mutation disrupting the gene encoding Integrator Complex Subunit 6 (Ints6. Due to widespread de-repression of dorsal organizer genes, embryos from mutant mothers fail to maintain expression of BMP ligands, fail to fully express vox and ved, two mediators of Wnt8a, display delayed cell movements during gastrulation, and severe dorsalization. Consistent with radial dorsalization, affected embryos display multiple independent axial domains along with ectopic dorsal forerunner cells. Limiting Nodal signaling or restoring BMP signaling restores wild-type patterning to affected embryos. Our results are consistent with a novel role for Ints6 in restricting the vertebrate organizer to a dorsal domain in embryonic patterning.

  10. The Integrator Complex Subunit 6 (Ints6) Confines the Dorsal Organizer in Vertebrate Embryogenesis

    Science.gov (United States)

    Kapp, Lee D.; Abrams, Elliott W.; Marlow, Florence L.; Mullins, Mary C.

    2013-01-01

    Dorsoventral patterning of the embryonic axis relies upon the mutual antagonism of competing signaling pathways to establish a balance between ventralizing BMP signaling and dorsal cell fate specification mediated by the organizer. In zebrafish, the initial embryo-wide domain of BMP signaling is refined into a morphogenetic gradient following activation dorsally of a maternal Wnt pathway. The accumulation of β-catenin in nuclei on the dorsal side of the embryo then leads to repression of BMP signaling dorsally and the induction of dorsal cell fates mediated by Nodal and FGF signaling. A separate Wnt pathway operates zygotically via Wnt8a to limit dorsal cell fate specification and maintain the expression of ventralizing genes in ventrolateral domains. We have isolated a recessive dorsalizing maternal-effect mutation disrupting the gene encoding Integrator Complex Subunit 6 (Ints6). Due to widespread de-repression of dorsal organizer genes, embryos from mutant mothers fail to maintain expression of BMP ligands, fail to fully express vox and ved, two mediators of Wnt8a, display delayed cell movements during gastrulation, and severe dorsalization. Consistent with radial dorsalization, affected embryos display multiple independent axial domains along with ectopic dorsal forerunner cells. Limiting Nodal signaling or restoring BMP signaling restores wild-type patterning to affected embryos. Our results are consistent with a novel role for Ints6 in restricting the vertebrate organizer to a dorsal domain in embryonic patterning. PMID:24204286

  11. Formation of mercury sulfide from Hg(II)−thiolate complexes in natural organic matter

    Science.gov (United States)

    Alain Manceau,; Cyprien Lemouchi,; Mironel Enescu,; Anne-Claire Gaillot,; Martine Lanson,; Valerie Magnin,; Pieter Glatzel,; Poulin, Brett; Ryan, Joseph N.; Aiken, George R.; Isabelle Gautier-Lunea,; Kathryn L. Nagy,

    2015-01-01

    Methylmercury is the environmental form of neurotoxic mercury that is biomagnified in the food chain. Methylation rates are reduced when the metal is sequestered in crystalline mercury sulfides or bound to thiol groups in macromolecular natural organic matter. Mercury sulfide minerals are known to nucleate in anoxic zones, by reaction of the thiol-bound mercury with biogenic sulfide, but not in oxic environments. We present experimental evidence that mercury sulfide forms from thiol-bound mercury alone in aqueous dark systems in contact with air. The maximum amount of nanoparticulate mercury sulfide relative to thiol-bound mercury obtained by reacting dissolved mercury and soil organic matter matches that detected in the organic horizon of a contaminated soil situated downstream from Oak Ridge, TN, in the United States. The nearly identical ratios of the two forms of mercury in field and experimental systems suggest a common reaction mechanism for nucleating the mineral. We identified a chemical reaction mechanism that is thermodynamically favorable in which thiol-bound mercury polymerizes to mercury–sulfur clusters. The clusters form by elimination of sulfur from the thiol complexes via breaking of mercury–sulfur bonds as in an alkylation reaction. Addition of sulfide is not required. This nucleation mechanism provides one explanation for how mercury may be immobilized, and eventually sequestered, in oxygenated surface environments.

  12. Modeling and Analyzing Operational Decision-Making Synchronization of C2 Organization in Complex Environment

    Directory of Open Access Journals (Sweden)

    Zou Zhigang

    2013-01-01

    Full Text Available In order to improve capability of operational decision-making synchronization (ODMS in command and control (C2 organization, the paper puts forward that ODMS is the negotiation process of situation cognition with three phases about “situation cognition, situation interaction and decision-making synchronization” in complex environment, and then the model and strategies of ODMS are given in quantity. Firstly, measure indexes of three steps above are given in the paper based on the time consumed in negotiation, and three patterns are proposed for negotiating timely in high quality during situation interaction. Secondly, the ODMS model with two stages in continuous changing situation is put forward in the paper, and ODMS strategies are analyzed within environment influence and time restriction. Thirdly, simulation cases are given to validate the process of ODMS under different continuous changing situations the results of this model are better than the other previous models to fulfill the actual restrictions, and the process of ODMS can be adjusted more reasonable for improving the capability of ODMS. Then we discuss the case and summarize the influence factors of ODMS in the C2 organization as organization structure, shared information resources, negotiation patterns, and allocation of decision rights.

  13. The Effects of Different Types of Text and Individual Differences on View Complexity about Genetically Modified Organisms

    Science.gov (United States)

    Dinsmore, Daniel L.; Zoellner, Brian P.; Parkinson, Meghan M.; Rossi, Anthony M.; Monk, Mary J.; Vinnachi, Jenelle

    2017-01-01

    View change about socio-scientific issues has been well studied in the literature, but the change in the complexity of those views has not. In the current study, the change in the complexity of views about a specific scientific topic (i.e. genetically modified organisms; GMOs) and use of evidence in explaining those views was examined in relation…

  14. Tetra- and hexavalent uranium forms bidentate-mononuclear complexes with particulate organic matter in a naturally uranium-enriched peatland

    DEFF Research Database (Denmark)

    Mikutta, Christian; Langner, Peggy; Bargar, John R.

    2016-01-01

    of bidentate-mononuclear U(IV/VI) complexes with carboxyl groups. We neither found evidence for U shells at ∼3.9 Å, indicative of mineral-associated U or multinuclear U(IV) species, nor for a substantial P/Fe coordination of U. Our data indicates that U(IV/VI) complexation by natural organic matter prevents...

  15. Asynchronous Reductive Release of Iron and Organic Carbon from Hematite-Humic Acid Complexes

    Science.gov (United States)

    Adhikari, D.; Poulson, S.; Sumaila, S.; Dynes, J.; McBeth, J. M.; Yang, Y.

    2015-12-01

    Association with solid-phase iron plays an important role in the accumulation and stabilization of soil organic matter (SOM). Ferric minerals are subject to redox reactions, which can compromise the stability of iron-bound SOM. To date, there is limited information available concerning the fate of iron-bound SOM during redox reactions. In this study, we investigated the release kinetics of hematite-bound organic carbon (OC) during the abiotic reduction of hematite-humic acid (HA) complexes by dithionite, as an analog for the fate of iron-bound SOM in natural redox reactions. Carbon 1s near edge X-ray absorption fine structure (NEXAFS) spectroscopy was used to examine the ratio of the aromatic, phenolic and carboxylic/imide functional groups of the adsorbed OC before and after reduction. Our results indicate that the reductive release of iron obeyed first-order kinetics with release rate constants of 6.67×10-3 to 13.0×10-3 min-1. The iron-bound OC was released rapidly during the initial stage with release rate constants of 0.011 to 1.49 min-1, and then became stable with residual fractions of 4.6% to 58.2% between 120 and 240 min. The release rate of aromatic OC was much faster than for the non-aromatic fraction of HA, and 90% of aromatic OC was released within the first hour for most samples. The more rapid release of aromatic OC was attributed to its potential distribution on the outer layer because of steric effects and the possible reduction of quinoids. Our findings show that in the reductive reaction the mobilization of iron-bound organic carbon was asynchronous with the reduction of iron, and aromatic carbon was released more readily than other organic components. This study illustrates the importance of evaluating the stability of iron-bound SOM, especially under aerobic-anaerobic transition conditions.

  16. Complexation of zinc in organic soils--EXAFS evidence for sulfur associations.

    Science.gov (United States)

    Karlsson, Torbjörn; Skyllberg, Ulf

    2007-01-01

    Even if it is generally accepted that associations with natural organic matter (NOM) to a great extent determine the bioavailability and mobility of trace metals in soils and waters, the knowledge about the identity of NOM functional groups involved is still limited. In this study, extended X-ray absorption fine structure (EXAFS) spectroscopy was used to determine the coordination chemistry of zinc (Zn) in two organic soils (500-10,000 microg Zn g(-), pH 5.6-7.3). In both soils Zn was coordinated by a mixture of oxygen/nitrogen (O/N) and sulfur (S) ligands in the first coordination shell. In average, 0.4-0.9 S atoms were located at a distance of 2.29-2.33 angstom, well in agreement with a 4-fold coordination with thiolates (RS-) in proteins. In addition 2.7-3.7 O/N atoms were located at 1.99-2.04 angstrom. The improved merit of fit by inclusion of S atoms was shown to be significant after adjusting for the improvement caused merely by increasing the number of fitting parameters. Two second shell Zn-C distances were used in our model: 3.0-4.2 carbon (C) atoms, associated to first shell O/N, were encountered at an average distance of 2.84 amgstrom, and 0.4-0.9 C atoms, associated to first shell S, were encountered at an average distance of 3.32 angstrom. These Zn-C distances are well in agreement with distances determined in well-defined organic molecules. It is concluded that Zn forms mainly inner-sphere complexes with a mixture of 4-fold coordination with S and O/N ligands and 6-fold coordination with O ligands in organic soils.

  17. Observation of consistent trends in the organic complexation of dissolved iron in the Atlantic sector of the Southern Ocean

    NARCIS (Netherlands)

    Thuroczy, C-E; Gerringa, L. J. A.; Klunder, M. B.; Laan, P.; de Baar, H. J. W.

    2011-01-01

    Organic complexation of dissolved iron (dFe) was investigated in the Atlantic sector of the Southern Ocean in order to understand the distribution of Fe over the whole water column. The total concentration of dissolved organic ligands ([Lt]) measured by voltammetry ranged between 0.54 and 1.84 nEq

  18. Radially oriented mesoporous TiO2 microspheres with single-crystal-like anatase walls for high-efficiency optoelectronic devices.

    Science.gov (United States)

    Liu, Yong; Che, Renchao; Chen, Gang; Fan, Jianwei; Sun, Zhenkun; Wu, Zhangxiong; Wang, Minghong; Li, Bin; Wei, Jing; Wei, Yong; Wang, Geng; Guan, Guozhen; Elzatahry, Ahmed A; Bagabas, Abdulaziz A; Al-Enizi, Abdullah M; Deng, Yonghui; Peng, Huisheng; Zhao, Dongyuan

    2015-05-01

    Highly crystalline mesoporous materials with oriented configurations are in demand for high-performance energy conversion devices. We report a simple evaporation-driven oriented assembly method to synthesize three-dimensional open mesoporous TiO2 microspheres with a diameter of ~800 nm, well-controlled radially oriented hexagonal mesochannels, and crystalline anatase walls. The mesoporous TiO2 spheres have a large accessible surface area (112 m(2)/g), a large pore volume (0.164 cm(3)/g), and highly single-crystal-like anatase walls with dominant (101) exposed facets, making them ideal for conducting mesoscopic photoanode films. Dye-sensitized solar cells (DSSCs) based on the mesoporous TiO2 microspheres and commercial dye N719 have a photoelectric conversion efficiency of up to 12.1%. This evaporation-driven approach can create opportunities for tailoring the orientation of inorganic building blocks in the assembly of various mesoporous materials.

  19. Single-crystal-like, c-axis oriented BaTiO3 thin films with high-performance on flexible metal templates for ferroelectric applications

    Science.gov (United States)

    Shin, Junsoo; Goyal, Amit; Jesse, Stephen; Kim, Dae Ho

    2009-06-01

    Epitaxial, c-axis oriented BaTiO3 thin films were deposited using pulsed laser ablation on flexible, polycrystalline Ni alloy tape with biaxially textured oxide buffer multilayers. The high quality of epitaxial BaTiO3 thin films with P4mm group symmetry was confirmed by x-ray diffraction. The microscopic ferroelectric domain structure and the piezoelectric domain switching in these films were confirmed via spatially resolved piezoresponse mapping and local hysteresis loops. Macroscopic measurements demonstrate that the films have well-saturated hysteresis loops with a high remanent polarization of ˜11.5 μC/cm2. Such high-quality, single-crystal-like BaTiO3 films on low-cost, polycrystalline, flexible Ni alloy substrates are attractive for applications in flexible lead-free ferroelectric devices.

  20. Detection and differentiation of neutral organic compounds by 19F NMR with a tungsten calix[4]arene imido complex.

    Science.gov (United States)

    Zhao, Yanchuan; Swager, Timothy M

    2013-12-18

    Fluorinated tungsten calix[4]arene imido complexes were synthesized and used as receptors to detect and differentiate neutral organic compounds. It was found that the binding of specific neutral organic molecules to the tungsten centers induces an upfield shift of the fluorine atom appended on the arylimido group, the extent of which is highly dependent on electronic and steric properties. We demonstrate that the specific bonding and size-selectivity of calix[4]arene tungsten-imido complex combined with (19)F NMR spectroscopy is a powerful new method for the analysis of complex mixtures.

  1. Organic-Ruthenium(II Polypyridyl Complex Based Sensitizer for Dye-Sensitized Solar Cell Applications

    Directory of Open Access Journals (Sweden)

    Lingamallu Giribabu

    2011-01-01

    Full Text Available A new high molar extinction coefficient organic-ruthenium(II polypyridyl complex sensitizer (RD-Cou that contains 2,2,6,6-tetramethyl-9-thiophene-2-yl-2,3,5,6,6a,11c-hexahydro1H,4H-11oxa-3a-aza-benzoanthracene-10-one as extended -conjugation of ancillary bipyridine ligand, 4,4-dicaboxy-2,26,2-bipyridine, and a thiocyanate ligand in its molecular structure has been synthesized and completely characterized by CHN, Mass, 1H-NMR, UV-Vis, and fluorescence spectroscopies as well as cyclic voltammetry. The new sensitizer was tested in dye-sensitized solar cells using a durable redox electrolyte and compared its performance to that of standard sensitizer Z-907.

  2. Detecting and interpreting distortions in hierarchical organization of complex time series

    CERN Document Server

    Drożdż, Stanisław

    2015-01-01

    Hierarchical organization is a cornerstone of complexity and multifractality constitutes its central quantifying concept. For model uniform cascades the corresponding singularity spectra are symmetric while those extracted from empirical data are often asymmetric. Using the selected time series representing such diverse phenomena like price changes and inter-transaction times in the financial markets, sentence length variability in the narrative texts, Missouri River discharge and Sunspot Number variability as examples, we show that the resulting singularity spectra appear strongly asymmetric, more often left-sided but in some cases also right-sided. We present a unified view on the origin of such effects and indicate that they may be crucially informative for identifying composition of the time series. One particularly intriguing case of this later kind of asymmetry is detected in the daily reported Sunspot Number variability. This signals that either the commonly used famous Wolf formula distorts the real d...

  3. High luminance phosphorescent organic light emitting diodes based on Re(I) complex

    Science.gov (United States)

    Su, Bin; Zhao, Jing; Wang, Fujun; Che, Guangbo; Wang, Yang; Wang, Bo; Gao, Lin; Yan, Yongsheng

    2016-10-01

    A novel Re(I) complex with the acenaphtho[1,2-b]pyrazino[2,3-f][1,10]phenanthroline (APPT) ligand Re(APPT)(CO)3Br (abbreviated as Re-APPT) was used to fabricate organic light emitting diodes (OLEDs). From the electroluminescence (EL) spectra of the device at different bias voltages, it could be found that the EL maxima shifted approximately 30 nm. For OLEDs with 5% Re-APPT doped emissive layer, turn-on voltage of 6 V, maximum luminance of 7631 cd/m2 and a current efficiency up to 2.36 cd/A were obtained. We suppose that a direct charge trapping took the dominant position in the EL process. Trapping contributed mostly to this relatively higher luminance.

  4. Formation of ethylene glycol and other complex organic molecules in star-forming regions

    Science.gov (United States)

    Rivilla, V. M.; Beltrán, M. T.; Cesaroni, R.; Fontani, F.; Codella, C.; Zhang, Q.

    2017-02-01

    Context. The detection of complex organic molecules related with prebiotic chemistry in star-forming regions allows us to investigate how the basic building blocks of life are formed. Aims: Ethylene glycol (CH2OH)2 is the simplest sugar alcohol and the reduced alcohol of the simplest sugar glycoladehyde (CH2OHCHO). We study the molecular abundance and spatial distribution of (CH2OH)2, CH2OHCHO and other chemically related complex organic species (CH3OCHO, CH3OCH3, and C2H5OH) towards the chemically rich massive star-forming region G31.41+0.31. Methods: We analyzed multiple single-dish (Green Bank Telescope and IRAM 30 m) and interferometric (Submillimeter Array) spectra towards G31.41+0.31, covering a range of frequencies from 45 to 258 GHz. We fitted the observed spectra with a local thermodynamic equilibrium (LTE) synthetic spectra, and obtained excitation temperatures and column densities. We compared our findings in G31.41+0.31 with the results found in other environments, including low- and high-mass star-forming regions, quiescent clouds and comets. Results: We report for the first time the presence of the aGg' conformer of (CH2OH)2 towards G31.41+0.31, detecting more than 30 unblended lines. We also detected multiple transitions of other complex organic molecules such as CH2OHCHO, CH3OCHO, CH3OCH3, and C2H5OH. The high angular resolution images show that the (CH2OH)2 emission is very compact, peaking towards the maximum of the 1.3 mm continuum. These observations suggest that low abundance complex organic molecules, like (CH2OH)2 or CH2OHCHO, are good probes of the gas located closer to the forming stars. Our analysis confirms that (CH2OH)2 is more abundant than CH2OHCHO in G31.41+0.31, as previously observed in other interstellar regions. Comparing different star-forming regions we find evidence of an increase of the (CH2OH)2/CH2OHCHO abundance ratio with the luminosity of the source. The CH3OCH3/CH3OCHO and (CH2OH)2/C2H5OH ratios are nearly constant with

  5. Performing organic chemistry with inorganic compounds: electrophilic reactivity of selected nitrosyl complexes.

    Science.gov (United States)

    Doctorovich, Fabio; Di Salvo, Florencia

    2007-10-01

    The inorganic nitrosyl (NO(+)) complexes [Fe(CN) 5NO](2-), [Ru(bpy)2(NO)Cl](2+), and [IrCl 5(NO)](-) are useful reagents for the nitrosation of a variety of organic compounds, ranging from amines to the relatively inert alkenes. Regarding [IrCl 5(NO)](-), its high electrophilicity and inertness define it as a unique reagent and provide a powerful synthetic route for the isolation and stabilization of coordinated nitroso compounds that are unstable in free form, such as S-nitrosothiols and primary nitrosamines. Related to the high electrophilicity of [IrCl 5(NO)](-), an unusual behavior is described for its PPh 4(+) salt in the solid state, showing an electronic distribution represented by Ir(IV)-NO(*) instead of Ir (III)-NO(+) (as for the K(+) and Na(+) salts).

  6. Construction and Ion Exchange Properties of Supramolecular Complexes with Organic Ligands and Metal Ions

    Institute of Scientific and Technical Information of China (English)

    SUN; WeiYin

    2001-01-01

    Supramolecular architectures with specific topologies such as closed threedimensional molecular cages present a large range of applications in material science, medicine and chemical technology.1,2 In the past decades, a number of such frameworks, e.g. M6L4, M12L8 and M18L6, have been synthesized by assembly of organic ligands with transitional metal salts.3-5 However, the M3L2 type cage-like complexes are not well known up to now.6,7 We report herein the generation of M3L2 type cages by tripodal ligands and various metal salts, and the anion exchange, molecular recognition properties of these metallosupramolecular cages.  ……

  7. A Molecular Artisans Guide to Supramolecular Coordination Complexes and Metal Organic Frameworks

    Science.gov (United States)

    Wu, Xialu; Young, David J.; Hor, T. S. Andy

    2015-10-01

    As molecular synthesis advances, we are beginning to learn control of not only the chemical reactivity (and function) of molecules, but also of their interactions with other molecules. It is this basic idea that has led to the current explosion of supramolecular science and engineering. Parallel to this development, chemists have been actively pursuing the design of very large molecules using basic molecular building blocks. Herein, we review the general development of supramolecular chemistry and particularly of two new branches: supramolecular coordination complexes (SCCs) and metal organic frameworks (MOFs). These two fields are discussed in detail with typical examples to illustrate what is now possible and what challenges lie ahead for tomorrow's molecular artisans.

  8. Construction and Ion Exchange Properties of Supramolecular Complexes with Organic Ligands and Metal Ions

    Institute of Scientific and Technical Information of China (English)

    SUN WeiYin; FAN Jian

    2001-01-01

    @@ Supramolecular architectures with specific topologies such as closed threedimensional molecular cages present a large range of applications in material science, medicine and chemical technology.1,2 In the past decades, a number of such frameworks, e.g. M6L4, M12L8 and M18L6, have been synthesized by assembly of organic ligands with transitional metal salts.3-5 However, the M3L2 type cage-like complexes are not well known up to now.6,7 We report herein the generation of M3L2 type cages by tripodal ligands and various metal salts, and the anion exchange, molecular recognition properties of these metallosupramolecular cages.

  9. Searching for Bio-Precursors and Complex Organic Molecules in Space using the GBT

    Science.gov (United States)

    Cordiner, M.; Charnley, S.; Kisiel, Z.

    2012-01-01

    Using the latest microwave receiver technology, large organic molecules with abundances as low as approx. 10(exp -11) times that of molecular hydrogen are detectable in cold interstellar clouds via their rotational emission line spectra. We report new observations to search for complex molecules, including molecules of possible pre-biotic importance, using the newly-commissioned Kband focal plane array (KFPA) of the NRAO Robert C. Byrd Green Bank Telescope. Spectra are presented of the dense molecular cloud TMC-1, showing strict upper limits on the level of emission from nitrogen-bearing rings pyrimidine, quinoline and iso-quinoline, carbon-chain oxides C60, C70, HC60 and HC70, and the carbon-chain anion C4H-. The typical RMS brightness temperature noise levels we achieved are approx. 1 mK at around 20 GHz.

  10. Complex organic molecules toward low-mass and high-mass star forming regions

    Science.gov (United States)

    Favre, C.; Ceccarelli, C.; Lefloch, B.; Bergin, E.; Carvajal, M.; Brouillet, N.; Despois, D.; Jørgensen, J.; Kleiner, I.

    2016-12-01

    One of the most important questions in molecular astrophysics is how, when, and where complex organic molecules, COMs (≥ 6 atoms) are formed. In the Interstellar-Earth connection context, could this have a bearing on the origin of life on Earth? Formation mechanisms of COMs, which include potentially prebiotic molecules, are still debated and may include grain-mantle and/or gas-phase chemistry. Understanding the mechanisms that lead to the interstellar molecular complexification, along with the involved physicochemical processes, is mandatory to answer the above questions. In that context, active researches are ongoing in theory, laboratory experiment, chemical modeling and observations. Thanks to recent progress in radioastronomy instrumentation for both single-dish and millimeter array (e.g. Herschel, NOEMA, ALMA), new results have been obtained. I will review some notable results on the detection of COMs, including prebiotic molecules, towards star forming regions.

  11. Complex approach to the organization of external information flows of tourism enterprise

    Directory of Open Access Journals (Sweden)

    E.N. Ivanova

    2015-12-01

    Full Text Available The aim of the article. The aim of the article is to provide the basis of the complex approach to the organization of external information flows at tourism enterprises in order to improve the management of these information flows. The results of the analysis. The complex approach of improvement of the information flows management at tourism enterprises basing on the complex of information signals and organization of feedback between consumers and tourism enterprises is proposed. Application of the theory of market signals (signaling for implementation of the complex approach is substantiated by the fact that an enterprise should generate and extend external outgoing information flows that would contribute to the provision of additional opportunities for the increase tourism products and services output, establishment of partnership and customers attraction. Informational signals as external information flows and activation of informational signaling ensure the informational connection between customers and tourism enterprises in order to stimulate the demand on the services of tourism enterprises and accordingly, their stable competitive position in the market; consideration and formation of demand, as the customers, which are maximum informed on the opportunities of tourism enterprises and the components of an tourism product, may describe their needs in the most accurate way. However, the usage of particular informational signals does not give such opportunities to a tourism enterprise. The necessity to use the complex of informational signals by tourism enterprises was demonstrated through the game theory. If a tourism enterprise does not perform informational signaling, then the sales of tourism products become complicated. The probability of attraction of loyal customers (in accordance to the given goal is not significant, as the choice of a tourism enterprise by a customer has a random character. Therefore, a customer attends another

  12. The shock synthesis of complex organics from impacts into cometary analogue mixtures

    Science.gov (United States)

    Price, M.; Wozniakiewicz, P.; Cole, M.; Martins, Z.; Burchell, M.

    2014-07-01

    Introduction: If amino acids are required for the evolution of life, what was their source? Many different theories abound as to the source of amino acids on the early Earth including exogenous delivery from comets/asteroids (for example, glycine was found recently on comet Wild-2 [1]), formation in the protoplanetary nebula [2], or UV catalysed reactions of gases [3]. An alternative explanation is that amino acids can be shock-synthesised during the impact on an icy body onto a rocky body (or, equivalently, the impact of rocky body onto an icy surface). This theory is supported by computer simulations [4] and by very recent experimental data, which demonstrated the formation of simple (including abiotic) amino acids from shocks into ice mixtures mimicking the composition of comets and the surfaces of the icy Jovian and Saturnian satellites. Although the results from these experiments are fundamentally important, the yield of synthesised amino acids was low (nano-grams of material), complicating their detection and identification. In order to increase the collected yield of complex organics, and aid in their detection and identification, we have implemented a new collection technique within our hypervelocity impact facility. Experimental Methodology: Figure 1A) shows a low-resolution high-speed photograph of an impact plasma generated from an impact of a stainless-steel sphere into a mixture of water, CO_{2}, ammonia, and methanol ices. The plasma has an intense blue colour, and lasted for system and residues have been found. The initial analysis of these residues is now underway and the results will be presented at the conference. If successful, this collection and analysis methodology will greatly speed up the number of experiments that can be done, allowing us to explore a large parameter space and determine the efficiency of shock syntheses of complex organics as a function of impact speed (peak shock pressure) and target composition.

  13. Protostellar Interferometric Line Survey (PILS): Constraining the formation of complex organic molecules with ALMA

    Science.gov (United States)

    Jorgensen, Jes K.; Coutens, Audrey; Bourke, Tyler L.; Favre, Cecile; Garrod, Robin; Lykke, Julie; Mueller, Holger; Oberg, Karin I.; Schmalzl, Markus; van der Wiel, Matthijs; van Dishoeck, Ewine; Wampfler, Susanne F.

    2015-08-01

    Understanding how, when and where complex organic and potentially prebiotic molecules are formed is a fundamental goal of astrochemistry and an integral part of origins of life studies. Already now ALMA is showing its capabilities for studies of the chemistry of solar-type stars with its high sensitivity for faint lines, high spectral resolution which limits line confusion, and high angular resolution making it possible to study the structure of young protostars on solar-system scales. We here present the first results from a large unbiased survey “Protostellar Interferometric Line Survey (PILS)” targeting one of the astrochemical template sources, the low-mass protostellar binary IRAS 16293-2422. The survey is more than an order of magnitude more sensitive than previous surveys of the source and provide imaging down to 25 AU scales (radius) around each of the two components of the binary. An example of one of the early highlights from the survey is unambiguous detections of the (related) prebiotic species glycolaldehyde, ethylene glycol (two lowest energy conformers), methyl formate and acetic acid. The glycolaldehyde-ethylene glycol abundance ratio is high in comparison to comets and other protostars - but agrees with previous measurements, e.g., in the Galactic Centre clouds possibly reflecting different environments and/or evolutionary histories. Complete mapping of this and other chemical networks in comparison with detailed chemical models and laboratory experiments will reveal the origin of complex organic molecules in a young protostellar system and investigate the link between these protostellar stages and the early Solar System.

  14. Mechanisms of Sb(III) Photooxidation by the Excitation of Organic Fe(III) Complexes.

    Science.gov (United States)

    Kong, Linghao; He, Mengchang

    2016-07-05

    Organic Fe(III) complexes are widely distributed in the aqueous environment, which can efficiently generate free radicals under light illumination, playing a significant role in heavy metal speciation. However, the potential importance of the photooxidation of Sb(III) by organic Fe(III) complexes remains unclear. Therefore, the photooxidation mechanisms of Sb(III) were comprehensively investigated in Fe(III)-oxalate, Fe(III)-citrate and Fe(III)-fulvic acid (FA) solutions by kinetic measurements and modeling. Rapid photooxidation of Sb(III) was observed in an Fe(III)-oxalate solution over the pH range of 3 to 7. The addition of tert-butyl alcohol (TBA) as an ·OH scavenger quenched the Sb(III) oxidation, suggesting that ·OH is an important oxidant for Sb(III). However, the incomplete quenching of Sb(III) oxidation indicated the existence of other oxidants, presumably an Fe(IV) species in irradiated Fe(III)-oxalate solution. In acidic solutions, ·OH may be formed by the reaction of Fe(II)(C2O4) with H2O2, but a hypothetical Fe(IV) species may be generated by the reaction of Fe(II)(C2O4)2(2-) with H2O2 at higher pH. Kinetic modeling provides a quantitative explanation of the results. Evidence for the existence of ·OH and hypothetical Fe(IV) was also observed in an irradiated Fe(III)-citrate and Fe(III)-FA system. This study demonstrated an important pathway of Sb(III) oxidation in surface waters.

  15. FORMATION AND RECONDENSATION OF COMPLEX ORGANIC MOLECULES DURING PROTOSTELLAR LUMINOSITY OUTBURSTS

    Energy Technology Data Exchange (ETDEWEB)

    Taquet, Vianney [Leiden Observatory, Leiden University, P.O. Box 9513, 2300-RA Leiden (Netherlands); Wirström, Eva S. [Department of Earth and Space Sciences, Chalmers University of Technology, Onsala Space Observatory, SE-439 92 Onsala (Sweden); Charnley, Steven B. [Astrochemistry Laboratory and The Goddard Center for Astrobiology, Mailstop 691, NASA Goddard Space Flight Center, 8800 Greenbelt Road, Greenbelt, MD 20770 (United States)

    2016-04-10

    During the formation of stars, the accretion of surrounding material toward the central object is thought to undergo strong luminosity outbursts followed by long periods of relative quiescence, even at the early stages of star formation when the protostar is still embedded in a large envelope. We investigated the gas-phase formation and recondensation of the complex organic molecules (COMs) di-methyl ether and methyl formate, induced by sudden ice evaporation processes occurring during luminosity outbursts of different amplitudes in protostellar envelopes. For this purpose, we updated a gas-phase chemical network forming COMs in which ammonia plays a key role. The model calculations presented here demonstrate that ion–molecule reactions alone could account for the observed presence of di-methyl ether and methyl formate in a large fraction of protostellar cores without recourse to grain-surface chemistry, although they depend on uncertain ice abundances and gas-phase reaction branching ratios. In spite of the short outburst timescales of about 100 years, abundance ratios of the considered species higher than 10% with respect to methanol are predicted during outbursts due to their low binding energies relative to water and methanol which delay their recondensation during cooling. Although the current luminosity of most embedded protostars would be too low to produce complex organics in the hot-core regions that are observable with current sub-millimetric interferometers, previous luminosity outburst events would induce the formation of COMs in extended regions of protostellar envelopes with sizes increasing by up to one order of magnitude.

  16. The origin, composition, and reactivity of dissolved iron(III) complexes in coastal organic- and iron-rich sediments

    Science.gov (United States)

    Beckler, Jordon S.; Jones, Morris E.; Taillefert, Martial

    2015-03-01

    The redox chemistry and speciation of Fe in both solid and dissolved phases were characterized in the organic- and Fe-rich sediments of the Satilla River estuary in South-East Georgia (USA) on a series of four cruises between July 2007 and January 2008. Results indicate that dissolved Fe is present in relatively high concentration in the overlying waters at the freshwater end of the estuary and flocculates along the river as the salinity increases downstream. Soluble organic-Fe(III) complexes comprise the majority of dissolved Fe (Shewanella putrefaciens strain 200, increased production of soluble organic-Fe(III) complexes, and addition of reactive Fe(III) hydroxides accelerated the non-reductive dissolution of Fe(III) (oxy)hydroxides irrespective of the presence of exogenous FeRB. These findings suggest soluble organic-Fe(III) complexes in suboxic pore waters may be produced both as intermediates during the dissimilatory reduction of Fe(III) (oxy)hydroxides by Fe(III)-reducing microorganisms and during the oxidation of organic-Fe(II) complexes by Fe(III) (oxy)hydroxides. These soluble organic-Fe(III) complexes are stable in pore waters and may flux from the sediments to the continental shelf.

  17. Somatotopic mapping of chordotonal organ neurons in a primitive ensiferan, the New Zealand tree weta Hemideina femorata: II. complex tibial organ.

    Science.gov (United States)

    Nishino, Hiroshi; Field, Laurence H

    2003-09-22

    Most ensiferan insects possess sets of highly specialized chordotonal organs in the proximal tibiae to detect conspecific auditory/vibratory signals or approach of predators. To date, most auditory/vibratory afferents have been classified according to their physiological properties and axonal projection morphology, but not to somatotopic origins. Hence, the functional specialization of identified receptor cells in the tibial organs remains uncertain. To address this question from an anatomical aspect, we investigated the structure of the weta, Hemideina femorata, tibial organs (the most elaborated tibial chordotonal organs among ensiferans) and their central projections by staining small numbers of receptor afferents from identified tibial organs. These organs comprise the "complex tibial organ," including the subgenual organ (primary vibration detector) and its posterior complement, the accessory organ, and the crista acustica (primary auditory organ) and its proximal complement, the intermediate organ. Unlike reports of a membranous organ structure for homologs in other ensiferans, weta tibial organs contain receptor cells embedded in thick solid masses. Primary afferents project ipsilaterally to the medial ventral association center of thoracic ganglia, where axon terminals are arrayed topographically in different areas specific to each organ, except for almost complete overlap of afferents originating from the distal part of the crista acustica and from the intermediate organ. In contrast to somatotopic reflection of sensilla position on limbs, as known for mechanoreceptor hairs, the somatotopic projection map of the insect ear reveals topographic association with acoustic tracheae or tibial cuticular attachment sites, which in turn must reflect determinants of response sensitivity (e.g., frequency or threshold).

  18. Synthesis and design of organic light-emitting devices containing lanthanide-cored complexes

    Science.gov (United States)

    Phelan, Gregory D.; Carlson, Brenden; Lawson, Rhys; Rowe, Daniel; Allen, Kolby; Dalton, Larry; Jiang, Xuezhong; Kim, Joo H.; Jen, Alex K.

    2004-02-01

    There is a considerable interest in the use of metal centered materials as a light source in the growing field of organic light emitting devices (OLED's). In these devices, a polymeric host matrix containing either a carbazole type polymer or polyfluorene derivatives is used to help facilitate energy transfer to the luminophore. We have shown that by using a gadolinium complex that consist of three equivalents of a chelated dibenzoylmethane b-diketone ligand and one equivalent of a phenanthroline type ligand as a component in the host matrix, the performance of a double layer type OLED is improved. We have studied OLED systems that contain tris chelated europium compounds that contain three equivalents of partially fluorinated β-diketone type ligands and an equivalent of a phenanthroline type ligand. In these devices, the external efficiency has shown a 30-fold increase. We have also shown there is an increase for Osmium based OLED's that use the gadolinium complex as part of the polymer matrix. In these devices, the maximum quantum efficiency increased from 2.1% to a value of 3.8%.

  19. Cu complexation by organic ligands in the sub-arctic NW Pacific and Bering Sea

    Science.gov (United States)

    Moffett, James W.; Dupont, Christopher

    2007-04-01

    Cu speciation was characterized at three stations in the sub arctic NW Pacific and Bering Sea using cathodic stripping voltammetry with the competing ligands benzoylacetone and salicylaldoxime. A single ligand model was fit to the titration data, yielding concentrations throughout the water column of ˜3-4 nM, and conditional stability constants ranging from 10 12.7 to 10 14.1, this range being partly due to the choice of competing ligand. Free Cu 2+ in surface waters was 2-4×10 -14 M, in close agreement with values reported by previous workers in the NE Pacific using anodic stripping voltammetry (ASV). However, those results showed that complexation by strong organic ligands becomes unimportant below 200-300 m, while our data indicated Cu is strongly complexed to depths as great as 3000 m. Free Cu 2+ concentrations in surface waters reported here and in previous work are close to the threshold value where Cu can limit the acquisition of Fe by phytoplankton.

  20. Metal-organic complex-functionalized protein nanopore sensor for aromatic amino acids chiral recognition.

    Science.gov (United States)

    Guo, Yanli; Niu, Aihua; Jian, Feifei; Wang, Ying; Yao, Fujun; Wei, Yongfeng; Tian, Lei; Kang, Xiaofeng

    2017-03-27

    Chiral recognition at single-molecule level for small active molecules is important, as exhibited by many nanostructures and molecular assemblies in biological systems, but it presents a significant challenge. We report a simple and rapid sensing strategy to discriminate all enantiomers of natural aromatic amino acids (AAA) using a metal-organic complex-functionalized protein nanopore, in which a chiral recognition element and a chiral recognition valve were equipped. A trifunctional molecule, heptakis-(6-deoxy-6-amino)-β-cyclodextrin (am7βCD), was non-covalently lodged within the nanopore of an α-hemolysin (αHL) mutant, (M113R)7-αHL. Copper(ii) ion reversibly bonds to the amino group of am7βCD to form an am7βCD-Cu(II) complex, which allowed chiral recognition for each enantiomer in the mixture of AAA by distinct current signals. The Cu(II) plugging valve plays a crucial rule that holds chiral molecules in the nanocavity for a sufficient registering time. Importantly, six enantiomers of all nature AAA could be simultaneously recognized at one time. Enantiomeric excess (ee) could also be accurately detected by this approach. It should be possible to generalize this approach for sensing of other chiral molecules.

  1. Self-Organization: Complex Dynamical Systems in the Evolution of Speech

    Science.gov (United States)

    Oudeyer, Pierre-Yves

    Human vocalization systems are characterized by complex structural properties. They are combinatorial, based on the systematic reuse of phonemes, and the set of repertoires in human languages is characterized by both strong statistical regularities—universals—and a great diversity. Besides, they are conventional codes culturally shared in each community of speakers. What are the origins of the forms of speech? What are the mechanisms that permitted their evolution in the course of phylogenesis and cultural evolution? How can a shared speech code be formed in a community of individuals? This chapter focuses on the way the concept of self-organization, and its interaction with natural selection, can throw light on these three questions. In particular, a computational model is presented which shows that a basic neural equipment for adaptive holistic vocal imitation, coupling directly motor and perceptual representations in the brain, can generate spontaneously shared combinatorial systems of vocalizations in a society of babbling individuals. Furthermore, we show how morphological and physiological innate constraints can interact with these self-organized mechanisms to account for both the formation of statistical regularities and diversity in vocalization systems.

  2. Determination of single photon ionization cross sections for quantitative analysis of complex organic mixtures.

    Science.gov (United States)

    Adam, Thomas; Zimmermann, Ralf

    2007-11-01

    Soft single photon ionization (SPI)-time-of-flight mass spectrometry (TOFMS) is well suited for fast and comprehensive analysis of complex organic gas mixtures, which has been demonstrated in various applications. This work describes a calibration scheme for SPI, which enables quantification of a large number of compounds by only calibrating one compound of choice, in this case benzene. Photoionization cross sections of 22 substances were determined and related to the yield of benzene. These substances included six alkanes (pentane, hexane, heptane, octane, nonane, decane), three alkenes (propene, butane, pentene), two alkynes (propyne, butyne), two dienes (butadiene, isoprene), five monoaromatic species (benzene, toluene, xylene, styrene, monochlorobenzene) and NO. The cross sections of organic compounds differ by about one order of magnitude but the photoionization properties of compounds belonging to one compound class are rather similar. Therefore, the scheme can also be used for an approximate quantification of compound classes. This is demonstrated by a fast characterization and pattern recognition of two gasoline samples with different origins (Germany and South Africa) and a diesel sample (Germany). The on-line capability of the technique and the scheme is demonstrated by quantitatively monitoring and comparing the cold engine start of four vehicles: a gasoline passenger car, a diesel van, a motorbike and a two-stroke scooter.

  3. Complex Organic and Inorganic Compounds in Shells of Lithium-rich K Giant Stars

    CERN Document Server

    de la Reza, Ramiro; Oliveira, Isa; Rengaswamy, Sridharan

    2015-01-01

    Hydrocarbon organic material, as found in the interstellar medium, exists in complex mixtures of aromatic and aliphatic forms. It is considered to be originated from carbon enriched giant stars during their final stages of evolution, when very strong mass loss occurs in a few thousand years on their way to become planetary nebulae. We show here that the same organic compounds appear to be formed in previous stages of the evolution of giant stars. More specifically, during the first ascending giant branch K-type stars. According to our model this happens only when these stars are being abruptly enriched with lithium together with the formation of a circumstellar shell with a strong mass loss during just a few thousand years. This sudden mass loss is, on an average, a thousand times larger than that of normal Li-poor K giant stars. This shell would later be detached, specially when the star stops its Li enrichment and a rapid photospheric Li depletion occurs. In order to gain extra carbon-based material to form...

  4. Organization, complexity and allelic diversity of the porcine (Sus scrofa domestica) immunoglobulin lambda locus.

    Science.gov (United States)

    Schwartz, John C; Lefranc, Marie-Paule; Murtaugh, Michael P

    2012-05-01

    We have characterized the organization, complexity, and expression of the porcine (Sus scrofa domestica) immunoglobulin lambda (IGL) light chain locus, which accounts for about half of antibody light chain usage in swine, yet is nearly totally unknown. Twenty-two IGL variable (IGLV) genes were identified that belong to seven subgroups. Nine genes appear to be functional. Eight possess stop codons, frameshifts, or both, and one is missing the V-EXON. Two additional genes are missing an essential cysteine residue and are classified as ORF (open reading frame). The IGLV genes are organized in two distinct clusters, a constant (C)-proximal cluster dominated by genes similar to the human IGLV3 subgroup, and a C-distal cluster dominated by genes most similar to the human IGLV8 and IGLV5 subgroups. Phylogenetic analysis reveals that the porcine IGLV8 subgroup genes have recently expanded, suggesting a particularly effective role in immunity to porcine-specific pathogens. Moreover, expression of IGLV genes is nearly exclusively restricted to the IGLV3 and IGLV8 genes. The constant locus comprises three tandem cassettes comprised of a joining (IGLJ) gene and a constant (IGLC) gene, whereas a fourth downstream IGLJ gene has no corresponding associated IGLC gene. Comparison of individual BACs generated from the same individual revealed polymorphisms in IGLC2 and several IGLV genes, indicating that allelic variation in IGLV further expands the porcine antibody light chain repertoire.

  5. Unified Microscopic-Macroscopic Monte Carlo Simulations of Complex Organic Molecule Chemistry in Cold Cores

    Science.gov (United States)

    Chang, Qiang; Herbst, Eric

    2016-03-01

    The recent discovery of methyl formate and dimethyl ether in the gas phase of cold cores with temperatures as cold as 10 K challenges our previous astrochemical models concerning the formation of complex organic molecules (COMs). The strong correlation between the abundances and distributions of methyl formate and dimethyl ether further shows that current astrochemical models may be missing important chemical processes in cold astronomical sources. We investigate a scenario in which COMs and the methoxy radical can be formed on dust grains via a so-called chain reaction mechanism, in a similar manner to CO2. A unified gas-grain microscopic-macroscopic Monte Carlo approach with both normal and interstitial sites for icy grain mantles is used to perform the chemical simulations. Reactive desorption with varying degrees of efficiency is included to enhance the nonthermal desorption of species formed on cold dust grains. In addition, varying degrees of efficiency for the surface formation of methoxy are also included. The observed abundances of a variety of organic molecules in cold cores can be reproduced in our models. The strong correlation between the abundances of methyl formate and dimethyl ether in cold cores can also be explained. Nondiffusive chemical reactions on dust grain surfaces may play a key role in the formation of some COMs.

  6. Complex organic molecules in diffuse clouds along the line of sight to Sagittarius B2

    Science.gov (United States)

    Thiel, V.; Belloche, A.; Menten, K. M.; Garrod, R. T.; Müller, H. S. P.

    2017-09-01

    Context. Up to now, mostly relatively simple molecules have been detected in interstellar diffuse molecular clouds in our galaxy, but more complex species have been reported in the diffuse/translucent medium of a z = 0.89 spiral galaxy. Aims: We aim at searching for complex organic molecules (COMs) in diffuse molecular clouds along the line of sight to Sgr B2(N), taking advantage of the high sensitivity and angular resolution of the Atacama Large Millimeter/submillimeter Array (ALMA). Methods: We use data acquired as part of the EMoCA survey performed with ALMA. To analyse the absorption features of the molecules detected towards the ultracompact H ii region K4 in Sgr B2(N), we calculate synthetic spectra for these molecules and fit their column densities, line widths, centroid velocities, and excitation temperatures. Results: We report the detection of CH3OH, CH3CN, CH3CHO, HC3N, and NH2CHO in Galactic center (GC) diffuse clouds and CH3OH and CH3CN in a diffuse cloud in the Scutum arm. The chemical composition of one of the diffuse GC clouds is found to be similar to the one of the diffuse/translucent medium of the z = 0.89 spiral galaxy. Conclusions: The chemical processes leading to chemical complexity in the diffuse molecular ISM appear to have remained similar since z = 0.89. As proposed in previous studies, the presence of COMs in diffuse molecular clouds may result from a cyclical interstellar process of cloud contraction and expansion between diffuse and dense states.

  7. Persistence of urban organic aerosols composition: Decoding their structural complexity and seasonal variability.

    Science.gov (United States)

    Matos, João T V; Duarte, Regina M B O; Lopes, Sónia P; Silva, Artur M S; Duarte, Armando C

    2017-08-11

    Organic Aerosols (OAs) are typically defined as highly complex matrices whose composition changes in time and space. Focusing on time vector, this work uses two-dimensional nuclear magnetic resonance (2D NMR) techniques to examine the structural features of water-soluble (WSOM) and alkaline-soluble organic matter (ASOM) sequentially extracted from fine atmospheric aerosols collected in an urban setting during cold and warm seasons. This study reveals molecular signatures not previously decoded in NMR-related studies of OAs as meaningful source markers. Although the ASOM is less hydrophilic and structurally diverse than its WSOM counterpart, both fractions feature a core with heteroatom-rich branched aliphatics from both primary (natural and anthropogenic) and secondary origin, aromatic secondary organics originated from anthropogenic aromatic precursors, as well as primary saccharides and amino sugar derivatives from biogenic emissions. These common structures represent those 2D NMR spectral signatures that are present in both seasons and can thus be seen as an "annual background" profile of the structural composition of OAs at the urban location. Lignin-derived structures, nitroaromatics, disaccharides, and anhydrosaccharides signatures were also identified in the WSOM samples only from periods identified as smoke impacted, which reflects the influence of biomass-burning sources. The NMR dataset on the H-C molecules backbone was also used to propose a semi-quantitative structural model of urban WSOM, which will aid efforts for more realistic studies relating the chemical properties of OAs with their atmospheric behavior. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. Major Histocompatibility Complex Class I Chain-Related A (MICA) Molecules: Relevance in Solid Organ Transplantation

    Science.gov (United States)

    Baranwal, Ajay Kumar; Mehra, Narinder K.

    2017-01-01

    An ever growing number of reports on graft rejection and/or failure even with good HLA matches have highlighted an important role of non-HLA antigens in influencing allograft immunity. The list of non-HLA antigens that have been implicated in graft rejection in different types of organ transplantation has already grown long. Of these, the Major Histocompatibility Complex class I chain-related molecule A (MICA) is one of the most polymorphic and extensively studied non-HLA antigenic targets especially in the kidney transplantation. Humoral response to MICA antigens has repeatedly been associated with lower graft survival and an increased risk of acute and chronic rejection following kidney and liver transplantation with few studies showing conflicting results. Although there are clear indications of MICA antibodies being associated with adverse graft outcome, a definitive consensus on this relationship has not been arrived yet. Furthermore, only a few studies have dealt with the impact of MICA donor-specific antibodies as compared to those that are not donor specific on graft outcome. In addition to the membrane bound form, a soluble isoform of MICA (sMICA), which has the potential to engage the natural killer cell-activating receptor NKG2D resulting in endocytosis and degradation of receptor–ligand interaction complex leading to suppression of NKG2D-mediated host innate immunity, has been a subject of intense discussion. Most studies on sMICA have been directed toward understanding their influence on tumor growth, with limited literature focusing its role in transplant biology. Furthermore, a unique dimorphism (methionine to valine) at position 129 in the α2 domain categorizes MICA alleles into strong (MICA-129 met) and weak (MICA-129 val) binders of NKG2D receptor depending on whether they have methionine or valine at this position. Although the implications of MICA 129 dimorphism have been highlighted in hematopoietic stem cell transplantation, its role in

  9. A theoretical analysis of the extraction of heterocyclic organic compounds from an organic phase using chemically mediated electrochemically modulated complexation in ion exchange polymer beads

    Energy Technology Data Exchange (ETDEWEB)

    Ozekin, K.; Noble, R.D.; Koval, C.A.

    1991-01-01

    A cyclical electrochemical process for the removal of heterocyclic organic compounds (pollutants) from an organic solvent using an ion-exchange polymer is analyzed. In this analysis, there are three main steps: In the first step, the polymer beads containing the active form of the complexing agent are contacted with the contaminated (feed) hydrocarbon phase. The pollutant diffuses into the beads and binds with the complexing agent which is in the reduced state. It is a fast reversible reaction. For the second step, the beads which contain a pollutant are contacted with a waste (receiving) phase and a chemical mediator is then used to oxidize the complexing agent and to reduce its affinity towards the pollutant so that it can be released. The oxidation of the complexing agent is an irreversible reaction. This is a moving boundary problem with countercurrent diffusion. For each mole of mediator that goes into the bead, one mole of pollutant exits since each complexing agent binds one pollutant. In the third step, the waste hydrocarbon phase is removed and a second chemical mediator is then used to reduce the complexing agent. The reduction of the complexing agent is also an irreversible reaction. Partial differential equations are used to analyze this process. 26 refs., 9 figs.

  10. Clay:organic-carbon and organic carbon as determinants of the soil physical properties: reassessment of the Complexed Organic Carbon concept

    Science.gov (United States)

    Matter, Adrien; Johannes, Alice; Boivin, Pascal

    2016-04-01

    Soil Organic Carbon (SOC) is well known to largely determine the soil physical properties and fertility. Total porosity, structural porosity, aeration, structural stability among others are reported to increase linearly with increasing SOC in most studies. Is there an optimal SOC content as target in soil management, or is there no limit in physical fertility improvement with SOC? Dexter et al. (2008) investigated the relation between clay:SOC ratio and the physical properties of soils from different databases. They observed that the R2 of the relation between SOC and the physical properties were maximized when considering the SOC fraction limited to a clay:SOC ratio of 10. They concluded that this fraction of the SOC was complexed, and that the additional SOC was not influencing the physical properties as strongly as the complexed one. In this study, we reassessed this approach, on a database of 180 undisturbed soil samples collected from cambiluvisols of the Swiss Plateau, on an area of 2400 km2, and from different soil uses. The physical properties were obtained with Shrinkage Analysis, which involved the parameters used in Dexter et al., 2008. We used the same method, but detected biases in the statistical approach, which was, therefore, adapted. We showed that the relation between the bulk density and SOC was changing with the score of visual evaluation of the structure (VESS) (Ball et al., 2007). Therefore, we also worked only on the "good" structures according to VESS. All shrinkage parameters were linearly correlated to SOC regardless of the clay:SOC ratio, with R2 ranging from 0.45 to 0.8. Contrarily to Dexter et al. (2008), we did not observed an optimum in the R2 of the relation when considering a SOC fraction based on the clay:SOC ratio. R2 was increasing until a Clay:SOC of about 7, where it reached, and kept, its maximum value. The land use factor was not significant. The major difference with the former study is that we worked on the same soil group

  11. The subgenual organ complex in the cave cricket Troglophilus neglectus (Orthoptera: Rhaphidophoridae): comparative innervation and sensory evolution

    Science.gov (United States)

    Strauß, Johannes; Stritih, Nataša; Lakes-Harlan, Reinhard

    2014-01-01

    Comparative studies of the organization of nervous systems and sensory organs can reveal their evolution and specific adaptations. In the forelegs of some Ensifera (including crickets and tettigoniids), tympanal hearing organs are located in close proximity to the mechanosensitive subgenual organ (SGO). In the present study, the SGO complex in the non-hearing cave cricket Troglophilus neglectus (Rhaphidophoridae) is investigated for the neuronal innervation pattern and for organs homologous to the hearing organs in related taxa. We analyse the innervation pattern of the sensory organs (SGO and intermediate organ (IO)) and its variability between individuals. In T. neglectus, the IO consists of two major groups of closely associated sensilla with different positions. While the distal-most sensilla superficially resemble tettigoniid auditory sensilla in location and orientation, the sensory innervation does not show these two groups to be distinct organs. Though variability in the number of sensory nerve branches occurs, usually either organ is supplied by a single nerve branch. Hence, no sensory elements clearly homologous to the auditory organ are evident. In contrast to other non-hearing Ensifera, the cave cricket sensory structures are relatively simple, consistent with a plesiomorphic organization resembling sensory innervation in grasshoppers and stick insects. PMID:26064547

  12. The subgenual organ complex in the cave cricket Troglophilus neglectus (Orthoptera: Rhaphidophoridae): comparative innervation and sensory evolution.

    Science.gov (United States)

    Strauß, Johannes; Stritih, Nataša; Lakes-Harlan, Reinhard

    2014-10-01

    Comparative studies of the organization of nervous systems and sensory organs can reveal their evolution and specific adaptations. In the forelegs of some Ensifera (including crickets and tettigoniids), tympanal hearing organs are located in close proximity to the mechanosensitive subgenual organ (SGO). In the present study, the SGO complex in the non-hearing cave cricket Troglophilus neglectus (Rhaphidophoridae) is investigated for the neuronal innervation pattern and for organs homologous to the hearing organs in related taxa. We analyse the innervation pattern of the sensory organs (SGO and intermediate organ (IO)) and its variability between individuals. In T. neglectus, the IO consists of two major groups of closely associated sensilla with different positions. While the distal-most sensilla superficially resemble tettigoniid auditory sensilla in location and orientation, the sensory innervation does not show these two groups to be distinct organs. Though variability in the number of sensory nerve branches occurs, usually either organ is supplied by a single nerve branch. Hence, no sensory elements clearly homologous to the auditory organ are evident. In contrast to other non-hearing Ensifera, the cave cricket sensory structures are relatively simple, consistent with a plesiomorphic organization resembling sensory innervation in grasshoppers and stick insects.

  13. Complexity

    CERN Document Server

    Gershenson, Carlos

    2011-01-01

    The term complexity derives etymologically from the Latin plexus, which means interwoven. Intuitively, this implies that something complex is composed by elements that are difficult to separate. This difficulty arises from the relevant interactions that take place between components. This lack of separability is at odds with the classical scientific method - which has been used since the times of Galileo, Newton, Descartes, and Laplace - and has also influenced philosophy and engineering. In recent decades, the scientific study of complexity and complex systems has proposed a paradigm shift in science and philosophy, proposing novel methods that take into account relevant interactions.

  14. Speciation of organic-soluble europium(III) α1-Wells-Dawson complexes.

    Science.gov (United States)

    Burton-Pye, Benjamin P; Francesconi, Lynn C

    2011-05-07

    In this contribution, we provide a comprehensive understanding of the speciation of the Eu(III) complex of the lacunary Wells-Dawson isomer, α1-[P(2)W(17)O(61)](10-) in organic media. The Wells-Dawson polyoxometalate, α1-[P(2)W(17)O(61)](10-) (abbreviated as α1) forms well-defined complexes with europium(III) (and other lanthanide(III)) ions in aqueous solution of predominantly 1 : 1 stoichiometries. The 8-coordinate Eu(III) ion is bound to 4 basic terminal oxygens (O(α1)) and four water molecules (O(H(2)O)) that complete the coordination sphere. Tetra-n-butylammonium (TBA) cations are employed to render the [(H(2)O)(4)Eu(α1-P(2)W(17)O(61))](7-) (Eu-α1) complex soluble in acetonitrile. Europium(III) provides the unique opportunity to employ luminescence spectroscopy and multinuclear NMR to probe the coordination environment. We interrogate the innermost coordination sphere of the Eu(III) ion in acetonitrile solution and in MeCN/H(2)O mixtures. We provide evidence toward the fractional displacement and coordination of acetonitrile within the TBA salts, that is consistent with recent EXAFS data. (31)P NMR and Stern-Volmer quenching studies suggest that dimerization to the 2 : 2 species is negligible in acetonitrile and MeCN-H(2)O mixtures. The decreasing transition energy in the excitation spectroscopy of the TBA-Eu-α1 analog upon dilution is consistent with a nephelauxetic effect, which is attributed to a slight increase in covalency upon replacement of water with acetonitrile. Determination of the number of bound waters (q) is also consistent with acetonitrile-water exchange. The reactivity of the 1 : 1 TBA-Eu-α1 with heterocyclic aromatic amines (1,10-phenanthroline, phen, and 2,2' bipyridine, bipy) in MeCN was probed by titrations monitoring the Eu(III) emission upon sensitization by the "antenna ligands". Binding constants for the products 1 : 1 TBA(x-y)H(y)[(Phen)(H(2)O)(2)Eu(α1-P(2)W(17)O(61))] and 1 : 2 TBA(x-y)H(y)[(Phen)(2)Eu(α1-P(2)W(17)O(61

  15. Organic compounds as indicators for transport in an urban characterized complex karst system

    Science.gov (United States)

    Reh, R.; Licha, T.; Nödler, K.; Geyer, T.; Sauter, M.

    2012-04-01

    In northern Hesse (Germany), sediments of the Upper Permian (Zechstein-Formations) are outcropping in a coastal facies along the western rim of the Rhenish Massif. The geologic section is characterized by a sequence of carbonate rocks (carbonates of the Werra-, Staßfurt- and Leine-Formations) and predominantly fine clastic sediments. The carbonate aquifers of the Werra-Formation and the Leine-Formation are used for drinking water abstraction of a provincial town and surrounding communities. Concurrently, the urban area is characterized by industrial and commercial uses. The groundwater flow system is composed of three potential karst aquifers, aquitards and aquicludes within a complex tectonically faulted area. The study area is divided into three spring catchment areas. However, the locations of the subsurface water divides are unknown. Traditional methods to determine the catchment areas (e.g. artificial tracer tests) are difficult to apply, due to a lack of adequate injection points. The presented work deals with the use of organic compounds as indicators for subsurface flow paths. Medical drugs, pesticides, corrosion inhibitors and such typical waste water compounds as caffeine (NÖDLER ET AL. 2010) are observed in approximately fifty groundwater observation points by regular sampling. The seasonal variability of the distribution pattern of organic compounds is low. The most common compounds are atrazine and its metabolites desethylatrazine and desisopropylatrazine, as well as the corrosion inhibitor 1H-benzotriazole. Since these substances are applied in different regions different input functions can be assumed. However, the highest concentrations are detected along a North-orientated axis, which also exhibits the greatest compound variety. This distribution pattern indicates preferential flow and transport pathways in the subsurface. The absence of organic compounds in other parts of the investigation area implies the existence of a water divide between

  16. Pulsed supersonic molecular beam for characterization of chemically active metal-organic complexes at surfaces

    Science.gov (United States)

    Lear, Amanda M.

    Metal-organic coordination networks (MOCNs) at surfaces consist of a complex of organic ligands bound to an atomic metal center. The MOCNs, when chosen appropriately, can form highly-ordered arrays at surfaces. Ultra-high vacuum surface studies allow control of surface composition and provide 2D growth restrictions, which lead to under-coordinated metal centers. These systems provide an opportunity to tailor the chemical function of the metal centers due to the steric restrictions imposed by the surface. Tuning the adsorption/desorption energy at a metal center and developing a cooperative environment for catalysis are the key scientific questions that motivate the construction of a molecular beam surface analysis system. Characterization of the created systems can be performed utilizing a pulsed supersonic molecular beam (PSMB) in unison with a quadrupole mass spectrometer. A PSMB allows for the highly controlled delivery of reactants with well-defined energy to a given platform making it possible to elucidate detailed chemical tuning information. In this thesis, a summary of prior theoretical molecular beam derivations is provided. Design considerations and an overview of the construction procedure for the current molecular beam apparatus, including initial characterization experiments, are presented. By impinging an Ar beam on a Ag(111) surface, the location of the specular angle (˜65°) and rough sample perimeter coordinates were determined. Additionally, surface analysis experiments, mainly Auger Electron Spectroscopy (AES), were performed to investigate the oxidation of epitaxial graphene on the SiC(0001) surface utilizing an oxygen cracking method. The AES experiments are described in detail and highlight the challenges that were faced when several different graphene samples were used for the oxygen adsorption/desorption experiments.

  17. The Census of Complex Organic Molecules in the Solar-type Protostar IRAS16293-2422

    Science.gov (United States)

    Jaber, Ali A.; Ceccarelli, C.; Kahane, C.; Caux, E.

    2014-08-01

    Complex organic molecules (COMs) are considered to be crucial molecules, since they are connected with organic chemistry, at the basis of terrestrial life. More pragmatically, they are molecules which in principle are difficult to synthesize in harsh interstellar environments and, therefore, are a crucial test for astrochemical models. Current models assume that several COMs are synthesized on lukewarm grain surfaces (gsim30-40 K) and released in the gas phase at dust temperatures of gsim100 K. However, recent detections of COMs in lsim20 K gas demonstrate that we still need important pieces to complete the puzzle of COMs formation. Here, we present a complete census of the oxygen- and nitrogen-bearing COMs, previously detected in different Interstellar Medium (ISM) regions, toward the solar-type protostar IRAS16293-2422. The census was obtained from the millimeter-submillimeter unbiased spectral survey TIMASSS. Of the 29 COMs searched for, 6 were detected: methyl cyanide, ketene, acetaldehyde, formamide, dimethyl ether, and methyl formate. Multifrequency analysis of the last five COMs provides clear evidence that they are present in the cold (lsim30 K) envelope of IRAS16293-2422, with abundances of 0.03-2 × 10-10. Our data do not allow us to support the hypothesis that the COMs abundance increases with increasing dust temperature in the cold envelope, as expected if COMs were predominately formed on lukewarm grain surfaces. Finally, when also considering other ISM sources, we find a strong correlation over five orders of magnitude between methyl formate and dimethyl ether, and methyl formate and formamide abundances, which may point to a link between these two couples of species in cold and warm gas.

  18. The census of complex organic molecules in the solar-type protostar IRAS16293-2422

    Energy Technology Data Exchange (ETDEWEB)

    Jaber, Ali A.; Ceccarelli, C.; Kahane, C. [Université Grenoble Alpes, IPAG, F-38000 Grenoble (France); Caux, E. [Université de Toulouse, UPS-OMP, IRAP, F-31400 Toulouse (France)

    2014-08-10

    Complex organic molecules (COMs) are considered to be crucial molecules, since they are connected with organic chemistry, at the basis of terrestrial life. More pragmatically, they are molecules which in principle are difficult to synthesize in harsh interstellar environments and, therefore, are a crucial test for astrochemical models. Current models assume that several COMs are synthesized on lukewarm grain surfaces (≳30-40 K) and released in the gas phase at dust temperatures of ≳100 K. However, recent detections of COMs in ≲20 K gas demonstrate that we still need important pieces to complete the puzzle of COMs formation. Here, we present a complete census of the oxygen- and nitrogen-bearing COMs, previously detected in different Interstellar Medium (ISM) regions, toward the solar-type protostar IRAS16293-2422. The census was obtained from the millimeter-submillimeter unbiased spectral survey TIMASSS. Of the 29 COMs searched for, 6 were detected: methyl cyanide, ketene, acetaldehyde, formamide, dimethyl ether, and methyl formate. Multifrequency analysis of the last five COMs provides clear evidence that they are present in the cold (≲30 K) envelope of IRAS16293-2422, with abundances of 0.03-2 × 10{sup –10}. Our data do not allow us to support the hypothesis that the COMs abundance increases with increasing dust temperature in the cold envelope, as expected if COMs were predominately formed on lukewarm grain surfaces. Finally, when also considering other ISM sources, we find a strong correlation over five orders of magnitude between methyl formate and dimethyl ether, and methyl formate and formamide abundances, which may point to a link between these two couples of species in cold and warm gas.

  19. An investigation of groundwater organics, soil minerals, and activated carbon on the complexation, adsorption, and separation of technetium-99

    Energy Technology Data Exchange (ETDEWEB)

    Gu, B. [Oak Ridge National Lab., TN (United States). Environmental Sciences Div.; Dowlen, K.E. [Oak Ridge Associated Universities, TN (United States)

    1996-01-01

    This report summarizes studies on the interactions of technetium-99 (Tc) with different organic compounds and soil minerals under both oxidizing and reducing conditions. The report is divided into four parts and includes (1) effect of natural organic matter (NOM) on the complexation and solubility of Tc, (2) complexation between Tc and trichloroethylene (TCE) in aqueous solutions, (3) adsorption of Tc on soil samples from Paducah Gaseous Diffusion Plant (PGDP), and (4) adsorption and separation of Tc on activated carbon. Various experimental techniques were applied to characterize and identify Tc complexation with organic compounds and TCE, including liquid-liquid extraction, membrane filtration, size exclusion, and gel chromatography. Results indicate, within the experimental error, Tc (as pertechnetate, TcO{sub 4}) did not appear to form complexes with groundwater or natural organic matter under both atmospheric and reducing conditions. However, Tc can form complexes with certain organic compounds or specific functional groups such as salicylate. Tc did not appear to form complexes with TCE in aqueous solution.Both liquid-liquid extraction and high performance liquid chromatography (HPLC) gave no indication Tc was complexed with TCE. The correlations between Tc and TCE concentrations in monitoring wells at PGDP may be a coincidence because TCE was commonly used as a decontamination reagent. Once TCE and Tc entered the groundwater, they behaved similarly because both TcO{sub 4}{sup {minus}} and TCE are poorly adsorbed by soils. An effective remediation technique to remove TcO{sub 4}{sup {minus}} from PGDP contaminated groundwater is needed. One possibility is the use of an activated carbon adsorption technique developed in this study.

  20. Genomic organization of duplicated major histocompatibility complex class I regions in Atlantic salmon (Salmo salar

    Directory of Open Access Journals (Sweden)

    Phillips Ruth B

    2007-07-01

    Full Text Available Abstract Background We have previously identified associations between major histocompatibility complex (MHC class I and resistance towards bacterial and viral pathogens in Atlantic salmon. To evaluate if only MHC or also closely linked genes contributed to the observed resistance we ventured into sequencing of the duplicated MHC class I regions of Atlantic salmon. Results Nine BACs covering more than 500 kb of the two duplicated MHC class I regions of Atlantic salmon were sequenced and the gene organizations characterized. Both regions contained the proteasome components PSMB8, PSMB9, PSMB9-like and PSMB10 in addition to the transporter for antigen processing TAP2, as well as genes for KIFC1, ZBTB22, DAXX, TAPBP, BRD2, COL11A2, RXRB and SLC39A7. The IA region contained the recently reported MHC class I Sasa-ULA locus residing approximately 50 kb upstream of the major Sasa-UBA locus. The duplicated class IB region contained an MHC class I locus resembling the rainbow trout UCA locus, but although transcribed it was a pseudogene. No other MHC class I-like genes were detected in the two duplicated regions. Two allelic BACs spanning the UBA locus had 99.2% identity over 125 kb, while the IA region showed 82.5% identity over 136 kb to the IB region. The Atlantic salmon IB region had an insert of 220 kb in comparison to the IA region containing three chitin synthase genes. Conclusion We have characterized the gene organization of more than 500 kb of the two duplicated MHC class I regions in Atlantic salmon. Although Atlantic salmon and rainbow trout are closely related, the gene organization of their IB region has undergone extensive gene rearrangements. The Atlantic salmon has only one class I UCA pseudogene in the IB region while trout contains the four MHC UCA, UDA, UEA and UFA class I loci. The large differences in gene content and most likely function of the salmon and trout class IB region clearly argues that sequencing of salmon will not

  1. Evolution of the complex refractive index in the UV spectral region in ageing secondary organic aerosol

    Science.gov (United States)

    Flores, J. M.; Zhao, D. F.; Segev, L.; Schlag, P.; Kiendler-Scharr, A.; Fuchs, H.; Watne, Å. K.; Bluvshtein, N.; Mentel, Th. F.; Hallquist, M.; Rudich, Y.

    2014-06-01

    The chemical and physical properties of secondary organic aerosol (SOA) formed by the photochemical degradation of biogenic and anthropogenic volatile organic compounds (VOC) are as yet still poorly constrained. The evolution of the complex refractive index (RI) of SOA, formed from purely biogenic VOC and mixtures of biogenic and anthropogenic VOC, was studied over a diurnal cycle in the SAPHIR photochemical outdoor chamber in Jülich, Germany. The correlation of RI with SOA chemical and physical properties such as oxidation level and volatility was examined. The RI was retrieved by a newly developed broadband cavity-enhanced spectrometer for aerosol optical extinction measurements in the UV spectral region (360 to 420 nm). Chemical composition and volatility of the particles were monitored by a high-resolution time-of-flight aerosol mass spectrometer, and a volatility tandem differential mobility analyzer. SOA was formed by ozonolysis of either (i) a mixture of biogenic VOC (α-pinene and limonene), (ii) biogenic VOC mixture with subsequent addition of an anthropogenic VOC (p-xylene-d10), or (iii) a mixture of biogenic and anthropogenic VOC. The SOA aged by ozone/OH reactions up to 29.5 h was found to be non-absorbing in all cases. The SOA with p-xylene-d10 showed an increase of the scattering component of the RI correlated with an increase of the O / C ratio and with an increase in the SOA density. There was a greater increase in the scattering component of the RI when the SOA was produced from the mixture of biogenic VOCs and anthropogenic VOC than from the sequential addition of the VOCs after approximately the same ageing time. The increase of the scattering component was inversely correlated with the SOA volatility. Two RI retrievals determined for the pure biogenic SOA showed a constant RI for up to 5 h of ageing. Mass spectral characterization shows the three types of the SOA formed in this study have a significant amount of semivolatile components. The

  2. "Drawing with nanotubes": creating nanowires with complex geometries by pulsed electrodeposition on self-organized carbon nanotube patterns.

    Science.gov (United States)

    Yarden, Tohar S; Joselevich, Ernesto

    2010-11-10

    We present a new approach for the creation of nanowires with well-defined complex geometries by electrodeposition onto self-organized single-walled carbon nanotubes. The concept is demonstrated by generation of continuous Au nanowires with various geometries, including parallel arrays, serpentines, and coils. The generality of this approach is further illustrated by synthesizing Bi(2)Te(3) nanowires. Our concept of "drawing with nanotubes" offers to combine different material properties with complex geometries on the route to new functional nanosystems.

  3. Facile synthesis of one-dimensional organometallic-organic hybrid polymers based on a diphosphorus complex and flexible bipyridyl linkers.

    Science.gov (United States)

    Elsayed Moussa, M; Attenberger, B; Peresypkina, E V; Fleischmann, M; Balázs, G; Scheer, M

    2016-08-21

    The selective synthesis of a series of new "ladderlike" one-dimensional organometallic-organic hybrid polymers is shown. The polymers are obtained from the reaction of the diphosphorus ligand complex [Cp2Mo2(CO)4(η(2)-P2)] with the copper salt [Cu(CH3CN)4]BF4 in the presence of flexible organic bipyridyl linkers in high selectivity. This unique behaviour is supported by DFT calculations.

  4. Structure of the adult central complex in Drosophila: organization of distinct neuronal subsets.

    Science.gov (United States)

    Young, J M; Armstrong, J D

    2010-05-01

    The central complex (CX) is a defined set of neuropils located on the midline of the protocerebrum in several arthropods and has been implicated in a number of behaviors. To investigate the function of the CX further it is imperative to know the neuroarchitecture of this structure and to ensure all known neuron types conform to a common nomenclature system. Several types of CX neuron have been identified but it is not known if these exist singly or as components of isomorphic sets. We used an enhancer trap approach to study the adult structure, connectivity, and polarity of CX neurons in Drosophila. We observed several isomorphic sets of small-field neurons including pontine and fb-eb neurons, and also isomorphic sets of large-field neurons including R neurons and F neurons. We found that several types of large-field F neurons existed in isomorphic sets of approximately eight (four per hemisphere) and found evidence for small-field neuron types existing as isomorphic sets of 16. Small-field neurons were observed in clearly organized layers. This study provides a novel insight into CX structure and connectivity and provides a set of characterized enhancer trap lines that will be valuable for future study. (c) 2009 Wiley-Liss, Inc.

  5. Suspended trapping gas chromatography I fourier transform mass spectrometry for analysis of complex organic mixtures.

    Science.gov (United States)

    Hogan, J D; Laude, D A

    1990-11-01

    The superior sensitivity , dynamic range, and mass measurement accuracy of suspended trapping pulse sequences for gas chromatography combined with Fourier transform mass spectrometry (GC/FTMS) separations of complex organic mixtures is demonstrated. By combining intense ionization conditions with a suspended trapping event prior to detection the working range of the trapped ion cell is increased by 10(3) . Improved detection limits are shown for the GC/FTMS separation of a peppermint oil, with the suspended trapping total ion chromatogram yielding 28 peaks, compared with 15 with a conventional trapping pulse sequence. A fivefold to fifteenfold improvement in signal-to-noise for suspended trapping measurements is also demonstrated with comparison spectra from separations of an unleaded gasoline sample. Suspended trapping spectra show little mass discrimination when an external ion reservoir is used, and chromatographic peak heights differ from conventional spectra by less than 30% if the initial ion population is within the space charge limit of the cell. Finally, average wide band mass measurement errors for components differing in concentration by several orders of magnitude are improved by a factor of 6 to 20 with suspended trapping compared with conventional trapping . For example, average errors of 8.7 ppm are obtained for a suspended trapping GC/FTMS separation of peppermint oil from a single calibration table in which the analysis is perfonned in the absence of calibrant.

  6. Self-organized nanoparticles based on drug-interpolyelectrolyte complexes as drug carriers

    Energy Technology Data Exchange (ETDEWEB)

    Palena, M. C.; Manzo, R. H.; Jimenez-Kairuz, A. F., E-mail: alvaro@fcq.unc.edu.ar [Universidad Nacional de Cordoba, UNITEFA-CONICET, Departamento de Farmacia, Facultad de Ciencias Quimicas (Argentina)

    2012-06-15

    Potential applications in drug delivery from nanostructures composed of two oppositely charged polymethacrylates, eudragit{sup Registered-Sign} L100 (EL) and eudragit{sup Registered-Sign} EPO (EE), loaded with three model basic drugs (D), atenolol, propranolol, and metroclopramide were evaluated. The self-organized nanoparticles based on drug-interpolyelectrolyte complexes (DIPEC), (EL-D{sub 50})-EE{sub X}, were obtained by mixing the aqueous dispersions of both polyelectrolytes at room temperature in an ultrasound bath. Dispersions of (EL-D{sub 50}) neutralized with increasing proportions of EE exhibited a rise of turbidity, particle sizes in the range of 150-400 nm, and high negative zeta potential. The sign of zeta potential was shifted from negative to positive by changes in composition of DIPEC. Freeze dried DIPEC were easily redispersed in water yielding nearly the same parameters of fresh dispersions. In vitro release experiments using Franz cells showed that DIPEC systems behave as a drug reservoir that slowly releases the drug as water is placed in the receptor compartment. The release rate was raised by ionic exchange with counterions present in simulated physiological fluids placed in the receptor media. Delivery of D from DIPEC exhibited a remarkable robustness toward simulated physiological media of different pH. The DIPEC systems exhibit interesting properties to design nanoparticulate drug delivery systems for oral and/or topical routes.

  7. Mycobacterium avium complex organisms predominantly colonize in the bathtub inlets of patients' bathrooms.

    Science.gov (United States)

    Nishiuchi, Yukiko; Tamura, Aki; Kitada, Seigo; Taguri, Takahiro; Matsumoto, Sohkichi; Tateishi, Yoshitaka; Yoshimura, Mamiko; Ozeki, Yuriko; Matsumura, Narumi; Ogura, Hisashi; Maekura, Ryoji

    2009-05-01

    Medical treatment of pulmonary Mycobacterium avium complex (MAC) disease does not always provide curative effects and is frequently hampered by recurrence. This suggests the presence of a reservoir for MAC in the environment surrounding patients. We previously reported the recovery of MAC isolates from the residential bathrooms of outpatients. In the present study, to ascertain the colonizing sites and the possibility of an MAC reservoir in the bathrooms of patients, we tested the recovery and the genetic diversity of MAC isolates from 6 sites of specimens, including 2 additional sampling sites, inside the showerhead and the bathtub inlet, in the residential bathrooms of patients with pulmonary MAC disease. MAC isolates were recovered from 15 out of the 29 bathrooms (52%), including specimens from 14 bathtub inlets and 3 showerheads. Nearly half of these bathrooms (7/15) contained MAC strains that were identical or similar to their respective clinical isolates Additionally, in 5 out of 15 bathrooms, polyclonal colonization was revealed by pulsed-field gel electrophoresis. The results imply that colonization of MAC organisms in the bathrooms of MAC patients occurs predominantly in the bathtub inlets, and there is thus a risk of infection and/or reinfection for patients via use of the bathtub and other sites in the bathroom.

  8. Complex Organic Molecules Formation in Space Through Gas Phase Reactions: A Theoretical Approach

    Science.gov (United States)

    Redondo, Pilar; Barrientos, Carmen; Largo, Antonio

    2017-02-01

    Chemistry in the interstellar medium (ISM) is capable of producing complex organic molecules (COMs) of great importance to astrobiology. Gas phase and grain surface chemistry almost certainly both contribute to COM formation. Amino acids as building blocks of proteins are some of the most interesting COMs. The simplest one, glycine, has been characterized in meteorites and comets and, its conclusive detection in the ISM seems to be highly plausible. In this work, we analyze the gas phase reaction of glycine and {{{CH}}5}+ to establish the role of this process in the formation of alanine or other COMs in the ISM. Formation of protonated α- and β-alanine in spite of being exothermic processes is not viable under interstellar conditions because the different paths leading to these isomers present net activation energies. Nevertheless, glycine can evolve to protonated 1-imide-2, 2-propanediol, protonated amino acetone, protonated hydroxyacetone, and protonated propionic acid. However, formation of acetic acid and protonated methylamine is also a favorable process and therefore will be a competitive channel with the evolution of glycine to COMs.

  9. Detecting and interpreting distortions in hierarchical organization of complex time series

    Science.gov (United States)

    DroŻdŻ, Stanisław; OświÈ©cimka, Paweł

    2015-03-01

    Hierarchical organization is a cornerstone of complexity and multifractality constitutes its central quantifying concept. For model uniform cascades the corresponding singularity spectra are symmetric while those extracted from empirical data are often asymmetric. Using selected time series representing such diverse phenomena as price changes and intertransaction times in financial markets, sentence length variability in narrative texts, Missouri River discharge, and sunspot number variability as examples, we show that the resulting singularity spectra appear strongly asymmetric, more often left sided but in some cases also right sided. We present a unified view on the origin of such effects and indicate that they may be crucially informative for identifying the composition of the time series. One particularly intriguing case of this latter kind of asymmetry is detected in the daily reported sunspot number variability. This signals that either the commonly used famous Wolf formula distorts the real dynamics in expressing the largest sunspot numbers or, if not, that their dynamics is governed by a somewhat different mechanism.

  10. Personal volatile organic compound (VOC) exposure of children attending elementary schools adjacent to industrial complex

    Science.gov (United States)

    Park, Kun-Ho; Jo, Wan-Kuen

    The major deficiency in linking the effects of environmental exposure to children's health is the lack of data on the exposure of children to hazardous environmental pollutants. Accordingly, the present study compared the personal volatile organic compound (VOC) exposure of children from four elementary schools at different proximities to the Daegu Dyeing Industrial Complex (DDIC) and adjacent to different traffic densities. The personal air concentrations of four VOCs (toluene, m, p-xylenes, and o-xylene) were significantly higher for the children attending the school (S1) closest to the boundary of the DDIC compared to the children attending the school (S2) further away. The DDIC was the likely primary cause for the elevated personal air concentrations of the four VOCs in the children attending the school nearest the DDIC. The personal exposure to toluene and methyl tertiary-butyl ether (MTBE) for the children attending the school near a major roadway with a high traffic density was significantly higher than that for the children attending the school near a roadway with a low traffic density. The difference in the breath concentrations was generally similar to the difference in the personal air concentrations among the children from the four schools. In contrast to the children attending schools in low-income areas, the children attending schools in high-income areas exhibited no significant difference in the concentrations of any of the target VOCs in the personal air and breath samples between the children living with and without a smoker in the home.

  11. Role of passive body dynamics in micro-organism swimming in complex fluids

    Science.gov (United States)

    Thomases, Becca; Guy, Robert

    2016-11-01

    We investigate the role of passive body dynamics in the kinematics of swimming micro-organisms in complex fluids. Asymptotic analysis and linear theory are used to predict shape changes that result as body elasticity and fluid elasticity are varied. The analysis is compared with a computational model of a finite length swimmer in a Stokes-Oldroyd-B fluid. Simulations and theory agree quantitatively for small amplitude motions with low fluid elasticity (Deborah number). This may not be surprising as the theory is expected hold in these two regimes. What is more remarkable is that the predicted shape changes match the computational shape changes quantitatively for large amplitudes, even for large Deborah numbers. Shape changes only tell part of the story. Swimming speed depends on other effects as well. We see that shape changes can predict swimming speed well when either the amplitude is small (including large Deborah number) or when the Deborah number is small (including large amplitudes). It is only in the large De AND large amplitude regime where the theory breaks down and swimming speed can no longer be inferred from shape changes alone.

  12. The distribution of persistent organic pollutants in a trophically complex Antarctic ecosystem model

    Science.gov (United States)

    Bates, Michael L.; Bengtson Nash, Susan M.; Hawker, Darryl W.; Shaw, Emily C.; Cropp, Roger A.

    2017-06-01

    Despite Antarctica's isolation from human population centres, persistent organic pollutants (POPs) are transported there via long range atmospheric transport and subsequently cold-trapped. The challenging nature of working in the Antarctic environment greatly limits our ability to monitor POP concentrations and understand the processes that govern the distribution of POPs in Antarctic ecosystems. Here we couple a dynamic, trophically complex biological model with a fugacity model to investigate the distribution of hexachlorobenzene (HCB) in a near-shore Antarctic ecosystem. Using this model we examine the steady-state, and annual cycle of HCB concentration in the atmosphere, ocean, sediment, detritus, and 21 classes of biota that span from primary producers to apex predators. The scope and trophic resolution of our model allows us to examine POP pathways through the ecosystem. In our model the main pathway of HCB to upper trophic species is via pelagic communities, with relatively little via benthic communities. Using a dynamic ecosystem model also allows us to examine the seasonal and potential climate change induced changes in POP distribution. We show that there is a large annual cycle in concentration in the planktonic communities, which may have implications for biomagnification factors calculated from observations. We also examine the direct effects of increasing temperature on the redistribution of HCB in a changing climate and find that it is likely minor compared to other indirect effects, such as changes in atmospheric circulation, sea ice dynamics, and changes to the ecosystem itself.

  13. Managing complex workplace stress in health care organizations: leaders' perceived legitimacy conflicts.

    Science.gov (United States)

    Dellve, Lotta; Wikström, Ewa

    2009-12-01

    To conceptualize how health care leaders' strategies to increase their influence in their psychosocial work environment are experienced and handled, and may be supported. The complex nature of the psychosocial work environment with increased stress creates significant challenges for leaders in today's health care organizations. Interviews with health care leaders (n = 39) were analysed in accordance with constructivist grounded theory. Compound identities, loyalty commitments and professional interests shape conditions for leaders' influence. Strategies to achieve legitimacy were either to retain clinical skills and a strong occupational identity or to take a full leadership role. Ethical stress was experienced when organizational procedural or consequential legitimacy norms were in conflict with the leaders' own values. Leadership support through socializing processes and strategic support structures may be complementary or counteractive. Support programmes need to have a clear message related to decision-making processes and should facilitate communication between top management, human resource departments and subordinate leaders. Ethical stress from conflicting legitimacy principles may be moderated by clear policies for decision-making processes, strengthened sound networks and improved communication. Supportive programmes should include: (1) sequential and strategic systems for introducing new leaders and mentoring; (2) reflective dialogue and feedback; (3) team development; and (4) decision-making policies and processes.

  14. Structural basis for integration of GluD receptors within synaptic organizer complexes.

    Science.gov (United States)

    Elegheert, Jonathan; Kakegawa, Wataru; Clay, Jordan E; Shanks, Natalie F; Behiels, Ester; Matsuda, Keiko; Kohda, Kazuhisa; Miura, Eriko; Rossmann, Maxim; Mitakidis, Nikolaos; Motohashi, Junko; Chang, Veronica T; Siebold, Christian; Greger, Ingo H; Nakagawa, Terunaga; Yuzaki, Michisuke; Aricescu, A Radu

    2016-07-15

    Ionotropic glutamate receptor (iGluR) family members are integrated into supramolecular complexes that modulate their location and function at excitatory synapses. However, a lack of structural information beyond isolated receptors or fragments thereof currently limits the mechanistic understanding of physiological iGluR signaling. Here, we report structural and functional analyses of the prototypical molecular bridge linking postsynaptic iGluR δ2 (GluD2) and presynaptic β-neurexin 1 (β-NRX1) via Cbln1, a C1q-like synaptic organizer. We show how Cbln1 hexamers "anchor" GluD2 amino-terminal domain dimers to monomeric β-NRX1. This arrangement promotes synaptogenesis and is essential for D: -serine-dependent GluD2 signaling in vivo, which underlies long-term depression of cerebellar parallel fiber-Purkinje cell (PF-PC) synapses and motor coordination in developing mice. These results lead to a model where protein and small-molecule ligands synergistically control synaptic iGluR function.

  15. The Spatial Distribution of Complex Organic Molecules in the L1544 Pre-stellar Core

    CERN Document Server

    Jimenez-Serra, Izaskun; Caselli, Paola; Marcelino, Nuria; Billot, Nicolas; Viti, Serena; Testi, Leonardo; Vastel, Charlotte; Lefloch, Bertrand; Bachiller, Rafael

    2016-01-01

    The detection of complex organic molecules (COMs) toward cold sources such as pre-stellar cores (with T=30 mag within the inner 2700 au; and a low-density shell with average Av~7.5-8 mag located at 4000 au from the core's center and bright in CH3OH. Our observations show that CH3O, CH3OCH3 and CH3CHO are more abundant (by factors ~2-10) toward the low-density shell than toward the continuum peak. Other COMs such as CH3OCHO, c-C3H2O, HCCCHO, CH2CHCN and HCCNC show slight enhancements (by factors <=3) but the associated uncertainties are large. This suggests that COMs are actively formed and already present in the low-density shells of pre-stellar cores. The modelling of the chemistry of O-bearing COMs in L1544 indicates that these species are enhanced in this shell because i) CO starts freezing out onto dust grains driving an active surface chemistry; ii) the visual extinction is sufficiently high to prevent the UV photo-dissociation of COMs by the external interstellar radiation field; and iii) the density...

  16. Europium (III) Organic Complexes in Porous Boron Nitride Microfibers: Efficient Hybrid Luminescent Material

    Science.gov (United States)

    Lin, Jing; Feng, Congcong; He, Xin; Wang, Weijia; Fang, Yi; Liu, Zhenya; Li, Jie; Tang, Chengchun; Huang, Yang

    2016-09-01

    We report the design and synthesis of a novel kind of organic-inorganic hybrid material via the incorporation of europium (III) β-diketonate complexes (Eu(TTA)3, TTA = 2-thenoyltrifluoroacetone) into one-dimensional (1D) porous boron nitride (BN) microfibers. The developed Eu(TTA)3@BN hybrid composites with typical 1D fibrous morphology exhibit bright visible red-light emission on UV illumination. The confinement of Eu(TTA)3 within pores of BN microfibers not only decreases the aggregation-caused quenching in solid Eu(TTA)3, but also improves their thermal stabilities. Moreover, The strong interactions between Eu(TTA)3 and porous BN matrix result in an interesting energy transfer process from BN host to TTA ligand and TTA ligand to Eu3+ ions, leading to the remarkable increase of red emission. The synthetic approach should be a very promising strategy which can be easily expanded to other hybrid luminescent materials based on porous BN.

  17. Molecular modeling of zinc paddlewheel molecular complexes and the pores of a flexible metal organic framework.

    Science.gov (United States)

    Alzahrani, Khalid A H; Deeth, Robert J

    2016-04-01

    A new all-atom first-principles force field (FF) is constructed for the bimetallic, four-bladed zinc paddlewheel (ZPW) motif. Zinc-ligand interactions are described via Morse functions and the angular geometry at the metal centers is modeled with a pure ligand-ligand repulsion term. The ZPW-FF is principally based on 15 DFT-optimized model systems of general formula ZnPR.nL, where ZnP is the base Zn2(O2CR)4 unit, R = H, CH3 or CF3, L = NH3 or pyridine, and n = 0, 1 or 2. It correctly generates the distorted tetrahedral coordination of the uncapped [Zn2(O2CR)4] species in their ground states as well as giving reasonable structures and energies for the higher symmetry D4h transition state conformations. The zinc-ligand Morse function reference distance, r 0 , is further refined against 30 complexes located in the Cambridge Structural Database and this FF is applied to pore models of the flexible metal-organic framework (MOF) [Zn(bdc)2(dabco)]n (bdc = 1,4-benzendicarboxylate; dabco = 1,4-diazabicyclo(2.2.2)octane). A single pore model reproduces the unit cell of the evacuated MOF system while a 3×3 grid model is necessary to provide good agreement with the observed pronounced structural changes upon adsorption of either dimethylformamide or benzene.

  18. Improved performance of organic light-emitting diodes using a Zn complex

    Energy Technology Data Exchange (ETDEWEB)

    Jang, Yoon-Ki; Kim, Dong-Eun; Kwon, Oh-Kwan; Kwon, Young-Soo [Dong-A University, Busan (Korea, Republic of); Kim, Won-Sam; Lee, Burm-Jong [Inje University, Gimhae (Korea, Republic of)

    2006-09-15

    We have synthesized new electroluminescence materials, including [2-(2-hydroxyphenyl) benzoxazole] (Zn(HPB){sub 2}) and [(1,10-phenanthroline)(8-hydroxyquinoline)] Zn(phen)q. The photoluminescence (PL) spectra of Zn(HPB){sub 2} and Zn(phen)q were observed to be blue and yellowish green, respectively. The ionization potential (IP) and the electron affinity (EA) of each Zn complex were measured using cyclic voltammetry (CV). Zn(HPB){sub 2} was used as an emitting material while Zn(phen)q and Alq{sub 3} were used as electron transport materials. We investigated the electron transport properties of Zn(phen)q compared with Alq{sub 3}. The fundamental structures of the organic lightemitting diodes (OLEDs) were ITO/NPB/Zn(HPB){sub 2}/Zn(phen)q and Alq{sub 3}/LiF/Al. As a result, the electron transport properties of Zn(phen)q were better than those of Alq{sub 3}. Therefore, Zn(phen)q should be useful as an electron transport material to enhance the performance of OLEDs.

  19. Controlling the Self-organizing Dynamics in a Sandpile Model on Complex Networks by Failure Tolerance

    Energy Technology Data Exchange (ETDEWEB)

    Qi, J.; Pfenninger, S.

    2015-08-01

    In this paper, we propose a strategy to control the self-organizing dynamics of the Bak-Tang-Wiesenfeld (BTW) sandpile model on complex networks by allowing some degree of failure tolerance for the nodes and introducing additional active dissipation while taking the risk of possible node damage. We show that the probability for large cascades significantly increases or decreases respectively when the risk for node damage outweighs the active dissipation and when the active dissipation outweighs the risk for node damage. By considering the potential additional risk from node damage, a non-trivial optimal active dissipation control strategy which minimizes the total cost in the system can be obtained. Under some conditions the introduced control strategy can decrease the total cost in the system compared to the uncontrolled model. Moreover, when the probability of damaging a node experiencing failure tolerance is greater than the critical value, then no matter how successful the active dissipation control is, the total cost of the system will have to increase. This critical damage probability can be used as an indicator of the robustness of a network or system. Copyright (C) EPLA, 2015

  20. Aging and efficiency in living systems: Complexity, adaptation and self-organization.

    Science.gov (United States)

    Chatterjee, Atanu; Georgiev, Georgi; Iannacchione, Germano

    2017-04-01

    Living systems are open, out-of-equilibrium thermodynamic entities, that maintain order by locally reducing their entropy. Aging is a process by which these systems gradually lose their ability to maintain their out-of-equilibrium state, as measured by their free-energy rate density, and hence, their order. Thus, the process of aging reduces the efficiency of those systems, making them fragile and less adaptive to the environmental fluctuations, gradually driving them towards the state of thermodynamic equilibrium. In this paper, we discuss the various metrics that can be used to understand the process of aging from a complexity science perspective. Among all the metrics that we propose, action efficiency, is observed to be of key interest as it can be used to quantify order and self-organization in any physical system. Based upon our arguments, we present the dependency of other metrics on the action efficiency of a system, and also argue as to how each of the metrics, influences all the other system variables. In order to support our claims, we draw parallels between technological progress and biological growth. Such parallels are used to support the universal applicability of the metrics and the methodology presented in this paper. Therefore, the results and the arguments presented in this paper throw light on the finer nuances of the science of aging. Copyright © 2017 Elsevier B.V. All rights reserved.

  1. Hierarchical organization of functional connectivity in the mouse brain: a complex network approach

    Science.gov (United States)

    Bardella, Giampiero; Bifone, Angelo; Gabrielli, Andrea; Gozzi, Alessandro; Squartini, Tiziano

    2016-08-01

    This paper represents a contribution to the study of the brain functional connectivity from the perspective of complex networks theory. More specifically, we apply graph theoretical analyses to provide evidence of the modular structure of the mouse brain and to shed light on its hierarchical organization. We propose a novel percolation analysis and we apply our approach to the analysis of a resting-state functional MRI data set from 41 mice. This approach reveals a robust hierarchical structure of modules persistent across different subjects. Importantly, we test this approach against a statistical benchmark (or null model) which constrains only the distributions of empirical correlations. Our results unambiguously show that the hierarchical character of the mouse brain modular structure is not trivially encoded into this lower-order constraint. Finally, we investigate the modular structure of the mouse brain by computing the Minimal Spanning Forest, a technique that identifies subnetworks characterized by the strongest internal correlations. This approach represents a faster alternative to other community detection methods and provides a means to rank modules on the basis of the strength of their internal edges.

  2. Europium (III) Organic Complexes in Porous Boron Nitride Microfibers: Efficient Hybrid Luminescent Material

    Science.gov (United States)

    Lin, Jing; Feng, Congcong; He, Xin; Wang, Weijia; Fang, Yi; Liu, Zhenya; Li, Jie; Tang, Chengchun; Huang, Yang

    2016-01-01

    We report the design and synthesis of a novel kind of organic-inorganic hybrid material via the incorporation of europium (III) β-diketonate complexes (Eu(TTA)3, TTA = 2-thenoyltrifluoroacetone) into one-dimensional (1D) porous boron nitride (BN) microfibers. The developed Eu(TTA)3@BN hybrid composites with typical 1D fibrous morphology exhibit bright visible red-light emission on UV illumination. The confinement of Eu(TTA)3 within pores of BN microfibers not only decreases the aggregation-caused quenching in solid Eu(TTA)3, but also improves their thermal stabilities. Moreover, The strong interactions between Eu(TTA)3 and porous BN matrix result in an interesting energy transfer process from BN host to TTA ligand and TTA ligand to Eu3+ ions, leading to the remarkable increase of red emission. The synthetic approach should be a very promising strategy which can be easily expanded to other hybrid luminescent materials based on porous BN. PMID:27687246

  3. Formation of complex organic molecules in cold objects: the role of gas-phase reactions

    Science.gov (United States)

    Balucani, Nadia; Ceccarelli, Cecilia; Taquet, Vianney

    2015-04-01

    While astrochemical models are successful in reproducing many of the observed interstellar species, they have been struggling to explain the observed abundances of complex organic molecules. Current models tend to privilege grain surface over gas-phase chemistry in their formation. One key assumption of those models is that radicals trapped in the grain mantles gain mobility and react on lukewarm ( ≳ 30 K) dust grains. Thus, the recent detections of methyl formate (MF) and dimethyl ether (DME) in cold objects represent a challenge and may clarify the respective role of grain-surface and gas-phase chemistry. We propose here a new model to form DME and MF with gas-phase reactions in cold environments, where DME is the precursor of MF via an efficient reaction overlooked by previous models. Furthermore, methoxy, a precursor of DME, is also synthesized in the gas phase from methanol, which is desorbed by a non-thermal process from the ices. Our new model reproduces fairly well the observations towards L1544. It also explains, in a natural way, the observed correlation between DME and MF. We conclude that gas-phase reactions are major actors in the formation of MF, DME and methoxy in cold gas. This challenges the exclusive role of grain-surface chemistry and favours a combined grain-gas chemistry.

  4. Formation of complex organic molecules in cold objects: the role of gas phase reactions

    CERN Document Server

    Balucani, Nadia; Taquet, Vianney

    2015-01-01

    While astrochemical models are successful in reproducing many of the observed interstellar species, they have been struggling to explain the observed abundances of complex organic molecules. Current models tend to privilege grain surface over gas phase chemistry in their formation. One key assumption of those models is that radicals trapped in the grain mantles gain mobility and react on lukewarm (>30 K) dust grains. Thus, the recent detections of methyl formate (MF) and dimethyl ether (DME) in cold objects represent a challenge and may clarify the respective role of grain surface and gas phase chemistry. We propose here a new model to form DME and MF with gas phase reactions in cold environments, where DME is the precursor of MF via an efficient reaction overlooked by previous models. Furthermore, methoxy, a precursor of DME, is also synthetized in the gas phase from methanol, which is desorbed by a non-thermal process from the ices. Our new model reproduces fairy well the observations towards L1544. It also...

  5. Understanding the complexities of Salmonella-host crosstalk as revealed by in vivo model organisms.

    Science.gov (United States)

    Verma, Smriti; Srikanth, Chittur V

    2015-07-01

    Foodborne infections caused by non-typhoidal Salmonellae, such as Salmonella enterica serovar Typhimurium (ST), pose a major challenge in the developed and developing world. With constant rise of drug-resistant strains, understanding the epidemiology, microbiology, pathogenesis and host-pathogen interactions biology is a mandatory requirement to enable health systems to be ready to combat these illnesses. Patient data from hospitals, at least from some parts of the world, have aided in epidemiological understanding of ST-mediated disease. Most of the other aspects connected to Salmonella-host crosstalk have come from model systems that offer convenience, genetic tractability and low maintenance costs that make them extremely valuable tools. Complex model systems such as the bovine model have helped in understanding key virulence factors needed for infection. Simple systems such as fruit flies and Caenorhabditis elegans have aided in identification of novel virulence factors, host pathways and mechanistic details of interactions. Some of the path-breaking concepts of the field have come from mice model of ST colitis, which allows genetic manipulations as well as high degree of similarity to human counterpart. Together, they are invaluable for correlating in vitro findings of ST-induced disease progression in vivo. The current review is a compilation of various advances of ST-host interactions at cellular and molecular levels that has come from investigations involving model organisms. © 2015 International Union of Biochemistry and Molecular Biology.

  6. Experimental and computational studies on creatininium 4-nitrobenzoate - An organic proton transfer complex

    Science.gov (United States)

    Thirumurugan, R.; Anitha, K.

    2017-10-01

    A new organic proton transfer complex of creatininium 4-nitrobenzoate (C4NB) has been synthesized and its single crystals were grown successfully by slow evaporation technique. The grown single crystal was subjected to various characterization techniques like single crystal X-ray diffraction (SCXRD), FTIR, FT-Raman and Kurtz-Perry powder second harmonic generation (SHG). The SCXRD analysis revealed that C4NB was crystallized into orthorhombic crystal system, with noncentrosymmetric (NCS), P212121 space group. The creatininium cation and 4-nitrobenzoate anion were connected through a pair of N__H⋯O hydrogen bonds (N(3)__H(6) ⋯ O(3) (x+1, y, z) and N(2)__H(5) &ctdot O(2) (x-1/2, -y-1/2, -z+2)) and fashioned a R22(8) ring motif. The crystal structure was stabilized by strong N__H⋯O and weak C__H⋯O intermolecular interactions and it was quantitatively analysed by Hirshfeld surface and fingerprint (FP) analysis. FTIR and FT-Raman studies confirmed the vibrational modes of functional groups present in C4NB compound indubitably. SHG efficiency of grown crystal was 4.6 times greater than that of standard potassium dihydrogen phosphate (KDP) material. Moreover, density functional theory (DFT) studies such as Mulliken charge distribution, frontier molecular orbitals (FMOs), molecular electrostatic potential (MEP) map, natural bond orbital analysis (NBO) and first order hyperpolarizability (β0) were calculated to explore the structure-property relationship.

  7. Constraining the abundances of complex organics in the inner regions of solar-type protostars

    CERN Document Server

    Taquet, Vianney; Ceccarelli, Cecilia; Neri, Roberto; Kahane, Claudine; Charnley, Steven B

    2015-01-01

    The high abundances of Complex Organic Molecules (COMs) with respect to methanol, the most abundant COM, detected towards low-mass protostars, tend to be underpredicted by astrochemical models. This discrepancy might come from the large beam of the single-dish telescopes, encompassing several components of the studied protostar, commonly used to detect COMs. To address this issue, we have carried out multi-line observations of methanol and several COMs towards the two low-mass protostars NGC1333-IRAS2A and -IRAS4A with the Plateau de Bure interferometer at an angular resolution of 2 arcsec, resulting in the first multi-line detection of the O-bearing species glycolaldehyde and ethanol and of the N-bearing species ethyl cyanide towards low-mass protostars other than IRAS 16293. The high number of detected transitions from COMs (more than 40 methanol transitions for instance) allowed us to accurately derive the source size of their emission and the COMs column densities. The COMs abundances with respect to meth...

  8. Stable and efficient sky-blue organic light emitting diodes employing a tetradentate platinum complex

    Science.gov (United States)

    Li, Guijie; Klimes, Kody; Fleetham, Tyler; Zhu, Zhi-Qiang; Li, Jian

    2017-03-01

    A tetradentate Pt(II) complex platinum (II) [10-(9-(4-tert-butylpyridin-2-yl-κN)-9H-carbazol-2-yl-κC1)-9,10-dihydro-9,9-dimethyl-3-(1H-pyrazol-1-yl-κN2)acridine-1-yl-κC1] (PtN'1N-tBu) incorporating pyrazolyl-acridine as the lumophore was demonstrated to act as a stable and efficient sky-blue emitter. Phosphorescent organic light-emitting diode (OLED) employing PtN'1N-tBu without the electron blocking layer (EBL) achieved a high external quantum efficiency (EQE) of 15.9% and an estimated operational lifetime LT70 of 635 h at an initial luminance of 1000 cd/cm2. The device efficiency could be further improved by adding TrisPCz as EBL, reaching EQE of 17.3% and operational lifetime up to 482 h at 1000 cd/cm2.

  9. Single-crystal-like NiO colloidal nanocrystal-aggregated microspheres with mesoporous structure: Synthesis and enhanced electrochemistry, photocatalysis and water treatment properties

    Energy Technology Data Exchange (ETDEWEB)

    Suo, Zhirong [Analytical and Testing Center, Southwest University of Science and Technology, Mianyang 621010 (China); Dong, Xiaonan [School of Materials Science and Engineering, Shaanxi University of Science and Technology, Xi’an 710021 (China); Liu, Hui, E-mail: liuhui@sust.edu.cn [School of Materials Science and Engineering, Shaanxi University of Science and Technology, Xi’an 710021 (China)

    2013-10-15

    A new microwave-assisted hydrothermal synthetic route based on the self-assembly and subsequently controlled thermal decomposition process is proposed to fabricate nickel oxide colloidal nanocrystal aggregated microspheres (CNAMs) with mesoporous structure. XRD, EDS, SEM, TEM. FTIR, and N{sub 2} adsorption and desorption isotherm techniques are employed for morphology and structure characterizations. The as-prepared nickel oxide CNAMs, which has a high surface area (234 m{sup 2}/g) with narrow pore distribution at around 3.25 nm, are composed of numerous hexagonal mesoporous nanocrystals of approximately 50–60 nm in size, and present a single-crystal-like characteristic. The experimental results also demonstrated that the CNAMs showed outstanding performance in electrochemistry, photocatalysis and waste water treatment due to their special hierarchical and mesoporous structure, presenting the promising candidate for catalysis and catalysis support materials. - Graphical abstract: CNAMs with mesoporous structure synthesized via a simple microwave-assisted hydrothermal method was applied in electrochemistry and catalysis and exhibited enhanced performance. Display Omitted - Highlights: • CNAMs with mesoporous structure are achieved via a simple microwave-assisted hydrothermal method. • Morphology, structure and pore distribution of sample particles is specifically controlled. • The samples show enhanced properties in electrochemistry and catalysis due to hierarchical structure.

  10. Uptake of dissolved organic carbon-complexed ⁶⁵Cu by the green mussel Perna viridis.

    Science.gov (United States)

    Zhong, Huan; Evans, Douglas; Wang, Wen-Xiong

    2012-02-21

    Stable Cu isotope ((65)Cu) was complexed with various representative dissolved organic carbon (DOC) types, including coastal seawater DOC, fulvic acid (FA), cyanobacteria spirulina (SP) DOC, histidine (His), cysteine (Cys), and lipophilic diethyl dithiocarbamate (DDC) at different concentrations. The uptake of these dissolved Cu species by the coastal green mussel Perna viridis was quantified for the first time. Copper complexed with different DOC types were taken up in some measure by mussels, depending on the DOC types. However, complexation generally reduced Cu uptake as compared to that of inorganic Cu species, and DOC type-specific negative relationships were found between DOC levels and Cu uptake. Strong Cu binding sites (including His and organic sulfur functional groups) within DOC appeared to control the inhibitory effects of DOC on Cu uptake, possibly due to the competitive binding of Cu between the dissolved phase and biological membranes. Therefore, differences in strong Cu binding site levels may explain the differences in bioavailability of Cu complexed with different types of DOC. At the same time, the variations in Cu-DOC uptake may also be partly attributed to the absorption of Cu-DOC complexes, especially for the small Cu-DOC complexes (e.g., Cu-Cys, Cu-His, or Cu-DDC). Our study highlights the importance of considering the specificity of Cu-DOC complexes when assessing biological exposure to dissolved Cu in natural waters, especially during events, such as phytoplankton bloom periods, that could modify DOC composition and concentrations.

  11. Fission yeast MOZART1/Mzt1 is an essential γ-tubulin complex component required for complex recruitment to the microtubule organizing center, but not its assembly.

    Science.gov (United States)

    Masuda, Hirohisa; Mori, Risa; Yukawa, Masashi; Toda, Takashi

    2013-09-01

    γ-Tubulin plays a universal role in microtubule nucleation from microtubule organizing centers (MTOCs) such as the animal centrosome and fungal spindle pole body (SPB). γ-Tubulin functions as a multiprotein complex called the γ-tubulin complex (γ-TuC), consisting of GCP1-6 (GCP1 is γ-tubulin). In fungi and flies, it has been shown that GCP1-3 are core components, as they are indispensable for γ-TuC complex assembly and cell division, whereas the other three GCPs are not. Recently a novel conserved component, MOZART1, was identified in humans and plants, but its precise functions remain to be determined. In this paper, we characterize the fission yeast homologue Mzt1, showing that it is essential for cell viability. Mzt1 is present in approximately equal stoichiometry with Alp4/GCP2 and localizes to all the MTOCs, including the SPB and interphase and equatorial MTOCs. Temperature-sensitive mzt1 mutants display varying degrees of compromised microtubule organization, exhibiting multiple defects during both interphase and mitosis. Mzt1 is required for γ-TuC recruitment, but not sufficient to localize to the SPB, which depends on γ-TuC integrity. Intriguingly, the core γ-TuC assembles in the absence of Mzt1. Mzt1 therefore plays a unique role within the γ-TuC components in attachment of this complex to the major MTOC site.

  12. Complex Forms of Soil Organic Phosphorus-A Major Component of Soil Phosphorus.

    Science.gov (United States)

    McLaren, Timothy I; Smernik, Ronald J; McLaughlin, Mike J; McBeath, Therese M; Kirby, Jason K; Simpson, Richard J; Guppy, Christopher N; Doolette, Ashlea L; Richardson, Alan E

    2015-11-17

    Phosphorus (P) is an essential element for life, an innate constituent of soil organic matter, and a major anthropogenic input to terrestrial ecosystems. The supply of P to living organisms is strongly dependent on the dynamics of soil organic P. However, fluxes of P through soil organic matter remain unclear because only a minority (typically soil organic P has been identified as recognizable biomolecules of low molecular weight (e.g., inositol hexakisphosphates). Here, we use (31)P nuclear magnetic resonance spectroscopy to determine the speciation of organic P in soil extracts fractionated into two molecular weight ranges. Speciation of organic P in the high molecular weight fraction (>10 kDa) was markedly different to that of the low molecular weight fraction (soil organic P across the five diverse soils. These soil phosphomonoesters will need to be integrated within current models of the inorganic-organic P cycle of soil-plant terrestrial ecosystems.

  13. Novel Two- and Three-Dimensional Organometallic-Organic Hybrid Materials Based on Polyphosphorus Complexes.

    Science.gov (United States)

    Attenberger, Bianca; Peresypkina, Eugenia V; Scheer, Manfred

    2015-07-20

    The reaction of the silver salt Ag[Al{OC(CF3)3}4] (1) with the P2 ligand complex [Cp2Mo2(CO)4(η(2)-P2)] (2) and the organic ditopic linker trans-1,2-di(pyridine-4-yl)ethene (dpe) results in the formation of four novel organometallic-organic hybrid compounds. Depending on the reaction conditions, the two-dimensional networks [{Cp2Mo2(CO)4(μ4,η(1:1:2:2)-P2)}(μ,η(1:1)-C12H10N2)Ag]n[Al{OC(CF3)3}4]n·0.075nCH2Cl2·1.425nC6H6 (3) and [{Cp2Mo2(CO)4(μ3,η(2:2:2)-P2)}2(μ,η(1:1)-C12H10N2)3Ag2]n[Al{OC(CF3)3}4]2n·2nC7H8 (4) are accessible. The latter shows a two-dimensional (2D) → 2D interpenetration structure. Furthermore, the formation of a unique three-dimensional polymer [{Cp2Mo2(CO)4(μ4,η(1:1:2:2)-P2)}(μ,η(1:1)-C12H10N2)Ag]n[Al{OC(CF3)3}4]n·0.3nCH2Cl2 (5b) together with another 2D polymer [{Cp2Mo2(CO)4(μ4,η(1:1:2:2)-P2)}(μ,η(1:1)-C12H10N2)3Ag2]n[Al{OC(CF3)3}4]2n·0.75CH2Cl2·0.5C7H8 (5a) was observed. In three of these polymers, unprecedented organometallic nodes were realized including one, two, or even four silver cations. All products were characterized by X-ray structural analysis and classified by the structural characteristics in three different network topologies.

  14. Modeling of catalytically active metal complex species and intermediates in reactions of organic halides electroreduction.

    Science.gov (United States)

    Lytvynenko, Anton S; Kolotilov, Sergey V; Kiskin, Mikhail A; Eremenko, Igor L; Novotortsev, Vladimir M

    2015-02-28

    The results of quantum chemical modeling of organic and metal-containing intermediates that occur in electrocatalytic dehalogenation reactions of organic chlorides are presented. Modeling of processes that take place in successive steps of the electrochemical reduction of representative C1 and C2 chlorides - CHCl3 and Freon R113 (1,1,2-trifluoro-1,2,2-trichloroethane) - was carried out by density functional theory (DFT) and second-order Møller-Plesset perturbation theory (MP2). It was found that taking solvation into account using an implicit solvent model (conductor-like screening model, COSMO) or considering explicit solvent molecules gave similar results. In addition to modeling of simple non-catalytic dehalogenation, processes with a number of complexes and their reduced forms, some of which were catalytically active, were investigated by DFT. Complexes M(L1)2 (M = Fe, Co, Ni, Cu, Zn, L1H = Schiff base from 2-pyridinecarbaldehyde and the hydrazide of 4-pyridinecarboxylic acid), Ni(L2) (H2L2 is the Schiff base from salicylaldehyde and 1,2-ethylenediamine, known as salen) and Co(L3)2Cl2, representing a fragment of a redox-active coordination polymer [Co(L3)Cl2]n (L3 is the dithioamide of 1,3-benzenedicarboxylic acid), were considered. Gradual changes in electronic structure in a series of compounds M(L1)2 were observed, and correlations between [M(L1)2](0) spin-up and spin-down LUMO energies and the relative energies of the corresponding high-spin and low-spin reduced forms, as well as the shape of the orbitals, were proposed. These results can be helpful for determination of the nature of redox-processes in similar systems by DFT. No specific covalent interactions between [M(L1)2](-) and the R113 molecule (M = Fe, Co, Ni, Zn) were found, which indicates that M(L1)2 electrocatalysts act rather like electron transfer mediators via outer-shell electron transfer. A relaxed surface scan of the adducts {M(L1)2·R113}(-) (M = Ni or Co) versus the distance between the

  15. Evidence for a trimeric organization of the photosystem I complex from the thermophilic cyanobacterium Synechococcus sp.

    NARCIS (Netherlands)

    Boekema, E.J.; Dekker, J.P.; Heel, M.G. van; Rögner, M.; Saenger, W.; Witt, I.; Witt, H.T.

    1987-01-01

    A photosystem I (PS I) reaction center complex was isolated and purified from the cyanobacterium Synechococcus sp. The complex has a molecular mass of about 600 kDa and contains 120 Chl a molecules per photoactive Chl a1 (P-700). Electron micrographs show that the PS I complex has the shape of a dis

  16. The gas phase origin of complex organic molecules precursors in prestellar cores

    Science.gov (United States)

    Bacmann, A.; Faure, A.

    2016-05-01

    Complex organic molecules (COMs) have long been observed in the warm regions surrounding nascent protostars. The recent discovery of oxygen-bearing COMs like methyl formate or dimethyl ether in prestellar cores (Bacmann et al. [2]), where gas and dust temperatures rarely exceed 10-15 K, has challenged the previously accepted models according to which COM formation relied on the diffusion of heavy radicals on warm (˜30 K) grains. Following these detections, new questions have arisen: do non-thermal processes play a role in increasing radical mobility or should new gas-phase routes be explored? The radicals involved in the formation of the aforementioned COMs, HCO and CH3O represent intermediate species in the grain-surface synthesis of methanol which proceeds via successive hydrogenations of CO molecules in the ice. We present here observations of methanol and its grain-surface precursors HCO, H2CO, CH3O in a sample of prestellar cores and derive their relative abundances. We find that the relative abundances HCO:H2CO:CH3O:CH3OH are constant across the core sample, close to 10:100:1:100. Our results also show that the amounts of HCO and CH3O are consistent with a gas-phase synthesis of these species from H2CO and CH3OH via radical-neutral or ion-molecule reactions followed by dissociative recombinations. Thus, while grain chemistry is necessary to explain the abundances of the parent volatile CH3OH, and possibly H2CO, the reactive species HCO and CH3O might be daughter molecules directly produced in the gas-phase.

  17. J-aggregates of amphiphilic cyanine dyes: Self-organization of artificial light harvesting complexes

    Directory of Open Access Journals (Sweden)

    Stefan Kirstein

    2006-01-01

    Full Text Available The simultaneous chemical linkage of cyanine dye chromophores with both hydrophobic and hydrophilic substituents leads to a new type of amphiphilic molecules with the ability of spontaneous self-organization into highly ordered aggregates of various structures and morphologies. These aggregates carry the outstanding optical properties of J-aggregates, namely, efficient exciton coupling and fast exciton energy migration, which are essential for the build up of artificial light harvesting systems. The morphology of the aggregates depends sensitively on the molecular structure of the chemical substituents of the dye chromophore. Accordingly, lamellar ribbon-like structures, vesicles , tubes, and bundles of tubes are found depending on the dyes and the structure can further be altered by addition of surfactants, alcohols, or other additives. Altogether the tubular structure is the most noticeable structural motif of these types of J-aggregates. The optical spectra are characterized in general by a complex exciton spectrum which is composed of several electronic transitions. The spectrum is red-shifted as a total with respect to the monomer absorption and exhibits resonance fluorescence from the lowest energy transition. For the tubular structures, the optical spectra can be related to a structural model. Although the molecules itself are strictly achiral, a pronounced circular dichroism (CD is observed for the tubular aggregates and explained by unequal distribution of left- and right-handed helicity of the tubes. Photo-induced electron transfer (PET reactions from the dye aggregates to electron acceptor molecules lead to superquenching which proves the delocalization of the excitation. This property is used to synthesize metal nanoparticles on the aggregate surface by photo-induced reduction of metal ions.

  18. Production of complex organic molecules:H-atom addition versus UV irradiation

    Science.gov (United States)

    Chuang, K.-J.; Fedoseev, G.; Qasim, D.; Ioppolo, S.; van Dishoeck, E. F.; Linnartz, H.

    2017-01-01

    Complex organic molecules (COMs) have been identified in different environments in star-forming regions. Laboratory studies show that COMs form in the solid state, on icy grains, typically following a `non-energetic' (atom-addition) or `energetic' (UV photon absorption) trigger. So far, such studies have been largely performed for single processes. Here we present the first work that quantitatively investigates both the relative importance and the cumulative effect of `(non)energetic' processing. We focus on astronomically relevant CO:CH3OH = 4:1 ice analogues exposed to doses relevant for the collapse stage of dense clouds. Hydrogenation experiments result in the formation of methyl formate (MF; HC(O)OCH3), glycolaldehyde (GA; HC(O)CH2OH) and ethylene glycol (EG; H2C(OH)CH2OH) at 14 K. The absolute abundances and the abundance fractions are found to be dependent on the H-atom/CO:CH3OH-molecule ratios and on the overall deposition rate. In the case that ices are exposed to UV photons only, several different COMs are found. Typically, the abundance fractions are 0.2 for MF, 0.3 for GA, and 0.5 for EG as opposed to the values found in pure hydrogenation experiments without UV in which MF is largely absent: 0.0, 0.2-0.6 and 0.8-0.4, respectively. In experiments where both are applied, overall COM abundances drop to about half of those found in the pure UV irradiation experiments, but the composition fractions are very similar. This implies COM ratios can be used as a diagnostic tool to derive the processing history of an ice. Solid-state branching ratios derived here for GA and EG compare well with observations, while the MF case cannot be explained by solid state conditions investigated here.

  19. Production of complex organic molecules: H-atom addition versus UV irradiation

    Science.gov (United States)

    Chuang, K.-J.; Fedoseev, G.; Qasim, D.; Ioppolo, S.; van Dishoeck, E. F.; Linnartz, H.

    2017-05-01

    Complex organic molecules (COMs) have been identified in different environments in star-forming regions. Laboratory studies show that COMs form in the solid state, on icy grains, typically following a 'non-energetic' (atom-addition) or 'energetic' (UV-photon absorption) trigger. So far, such studies have been largely performed for single processes. Here, we present the first work that quantitatively investigates both the relative importance and the cumulative effect of '(non-)energetic' processing. We focus on astronomically relevant CO:CH3OH = 4:1 ice analogues exposed to doses relevant for the collapse stage of dense clouds. Hydrogenation experiments result in the formation of methyl formate (MF; HC(O)OCH3), glycolaldehyde (GA; HC(O)CH2OH) and ethylene glycol (EG; H2C(OH)CH2OH) at 14 K. The absolute abundances and the abundance fractions are found to be dependent on the H-atom/CO:CH3OH-molecule ratios and on the overall deposition rate. In the case that ices are exposed to UV photons only, several different COMs are found. Typically, the abundance fractions are 0.2 for MF, 0.3 for GA and 0.5 for EG as opposed to the values found in pure hydrogenation experiments without UV in which MF is largely absent: 0.0, 0.2-0.6 and 0.8-0.4, respectively. In experiments where both are applied, overall COM abundances drop to about half of those found in the pure UV irradiation experiments, but the composition fractions are very similar. This implies COM ratios can be used as a diagnostic tool to derive the processing history of an ice. Solid-state branching ratios derived here for GA and EG compare well with observations, while the MF case cannot be explained by solid-state conditions investigated here.

  20. The Spatial Distribution of Complex Organic Molecules in the L1544 Pre-stellar Core

    Science.gov (United States)

    Jiménez-Serra, Izaskun; Vasyunin, Anton I.; Caselli, Paola; Marcelino, Nuria; Billot, Nicolas; Viti, Serena; Testi, Leonardo; Vastel, Charlotte; Lefloch, Bertrand; Bachiller, Rafael

    2016-01-01

    The detection of complex organic molecules (COMs) toward cold sources such as pre-stellar cores (with T<10 K), has challenged our understanding of the formation processes of COMs in the interstellar medium. Recent modelling on COM chemistry at low temperatures has provided new insight into these processes predicting that COM formation depends strongly on parameters such as visual extinction and the level of CO freeze out. We report deep observations of COMs toward two positions in the L1544 pre-stellar core: the dense, highly-extinguished continuum peak with AV ≥30 mag within the inner 2700 au; and a low-density shell with average AV ~7.5-8 mag located at 4000 au from the core’s center and bright in CH3OH. Our observations show that CH3O, CH3OCH3 and CH3CHO are more abundant (by factors ~2-10) toward the low-density shell than toward the continuum peak. Other COMs such as CH3OCHO, c-C3H2O, HCCCHO, CH2CHCN and HCCNC show slight enhancements (by factors ≤3) but the associated uncertainties are large. This suggests that COMs are actively formed and already present in the low-density shells of pre-stellar cores. The modelling of the chemistry of O-bearing COMs in L1544 indicates that these species are enhanced in this shell because i) CO starts freezing out onto dust grains driving an active surface chemistry; ii) the visual extinction is sufficiently high to prevent the UV photo-dissociation of COMs by the external interstellar radiation field; and iii) the density is still moderate to prevent severe depletion of COMs onto grains. PMID:27733899

  1. CONSTRAINING THE ABUNDANCES OF COMPLEX ORGANICS IN THE INNER REGIONS OF SOLAR-TYPE PROTOSTARS

    Energy Technology Data Exchange (ETDEWEB)

    Taquet, Vianney; Charnley, Steven B. [Astrochemistry Laboratory and The Goddard Center for Astrobiology, Mailstop 691, NASA Goddard Space Flight Center, 8800 Greenbelt Road, Greenbelt, MD 20770 (United States); López-Sepulcre, Ana; Ceccarelli, Cecilia; Kahane, Claudine [Univ. Grenoble Alpes, IPAG, F-38000 Grenoble (France); Neri, Roberto, E-mail: taquet@strw.leidenuniv.nl [Institut de Radioastronomie Millimétrique, Grenoble (France)

    2015-05-10

    The high abundances of Complex Organic Molecules (COMs) with respect to methanol, the most abundant COM, detected toward low-mass protostars, tend to be underpredicted by astrochemical models. This discrepancy might come from the large beam of the single-dish telescopes, encompassing several components of the studied protostar, commonly used to detect COMs. To address this issue, we have carried out multi-line observations of methanol and several COMs toward the two low-mass protostars NGC 1333-IRAS 2A and -IRAS 4A with the Plateau de Bure interferometer at an angular resolution of 2″, resulting in the first multi-line detection of the O-bearing species glycolaldehyde and ethanol and of the N-bearing species ethyl cyanide toward low-mass protostars other than IRAS 16293. The high number of detected transitions from COMs (more than 40 methanol transitions for instance) allowed us to accurately derive the source size of their emission and the COM column densities. The COM abundances with respect to methanol derived toward IRAS 2A and IRAS 4A are slightly, but not substantitally, lower than those derived from previous single-dish observations. The COM abundance ratios do not vary significantly with the protostellar luminosity, over five orders of magnitude, implying that low-mass hot corinos are quite chemically rich as high-mass hot cores. Astrochemical models still underpredict the abundances of key COMs, such as methyl formate or di-methyl ether, suggesting that our understanding of their formation remains incomplete.

  2. An inventory of biogenic volatile organic compounds for a subtropical urban-rural complex

    Science.gov (United States)

    Chang, Jie; Ren, Yuan; Shi, Yan; Zhu, Yimei; Ge, Ying; Hong, Shengmao; Jiao, Li; Lin, Fengmei; Peng, Changhui; Mochizuki, Tomoki; Tani, Akira; Mu, Ying; Fu, Chengxin

    2012-09-01

    Increases in atmospheric volatile organic compounds (VOC), especially in relation to biogenic VOC (BVOC), and haze days that affect the built-up areas are believed to be closely correlated. The present study aims to provide a spatially and temporally resolved BVOC inventory of a subtropical urban-rural complex, the Greater Hangzhou Area (GHA) in China. Urban green space was subdivided into block green space and linear green space; rural areas were classified into four primary forest types. A field survey was conducted to assess the vegetation composition (species, size) and foliar mass of each tree species. BVOC emission potentials were obtained from measurement and literature. Results showed (1) the emission intensity (annual BVOC emissions per land area) in the entire GHA is 3.37 × 106 g C km-2 yr-1, and rural forest (excluding bamboo forest) exhibits lower average emission intensity (2.74 × 106 g C km-2 yr-1) than that of urban green space (3.13 × 106 g C km-2 yr-1); (2) Within the built-up area, the block green space has higher emission intensity (3.93 × 106 g C km-2 yr-1) than the linear green space (2.63 × 106 g C km-2 yr-1); (3) in Hangzhou city, BVOC emissions of native and exotic trees exhibited no differences; and (4) in rural areas, bamboo forests and coniferous forests were the major contributors of BVOC emissions, whereas the original vegetation type of this region, evergreen broad-leaved forest, possessed lower BVOC emissions. The results suggest that total BVOC emission can be controlled to low levels by planting low-emitting species in built-up areas while restoring original broad-leaved forest vegetation in rural areas.

  3. Comparison of zinc complexation properties of dissolved organic matter from surface waters and wastewater treatment plant effluents

    Institute of Scientific and Technical Information of China (English)

    CHENG Tao

    2005-01-01

    Unlike natural organic matter(NOM), wastewater organic matter(WWOM) from wastewater treatment plant effluents has not been extensively studied with respect to complexation reactions with heavy metals such as copper or zinc. In this study, organic matter from surface waters and a wastewater treatment plant effluent were concentrated by reverse osmosis(RO) method. The samples were treated in the laboratory to remove trace metals and major cations. The zinc complexing properties of both NOM and the WWOM were studied by square wave anodic stripping voltammetry(SWASV). Experimental data were compared to predictions using the Windermere Humic Aqueous Model(WHAM) Version VI. We found that the zinc binding of WWOM was much stronger than that of NOM and not well predicted by WHAM. This suggests that in natural water bodies that receive wastewater treatment plant effluents the ratio of WWOM to NOM must be taken into account in order to accurately predict free zinc activities.

  4. Design and Control of Cooperativity in Spin-Crossover in Metal–Organic Complexes: A Theoretical Overview

    Directory of Open Access Journals (Sweden)

    Hrishit Banerjee

    2017-07-01

    Full Text Available Metal organic complexes consisting of transition metal centers linked by organic ligands, may show bistability which enables the system to be observed in two different electronic states depending on external condition. One of the spectacular examples of molecular bistability is the spin-crossover phenomena. Spin-Crossover (SCO describes the phenomena in which the transition metal ion in the complex under the influence of external stimuli may show a crossover between a low-spin and high-spin state. For applications in memory devices, it is desirable to make the SCO phenomena cooperative, which may happen with associated hysteresis effect. In this respect, compounds with extended solid state structures containing metal ions connected by organic spacer linkers like linear polymers, coordination network solids are preferred candidates over isolated molecules or molecular assemblies. The microscopic understanding, design and control of mechanism driving cooperativity, however, are challenging. In this review we discuss the recent theoretical progress in this direction.

  5. Transition metal complexes supported on metal-organic frameworks for heterogeneous catalysts

    Energy Technology Data Exchange (ETDEWEB)

    Farha, Omar K.; Hupp, Joseph T.; Delferro, Massimiliano; Klet, Rachel C.

    2017-02-07

    A robust mesoporous metal-organic framework comprising a hafnium-based metal-organic framework and a single-site zirconium-benzyl species is provided. The hafnium, zirconium-benzyl metal-organic framework is useful as a catalyst for the polymerization of an alkene.

  6. Hierarchic Theory of Complex Systems (biosystems, colloids): self-organization & osmos

    OpenAIRE

    Kaivarainen, Alex

    2000-01-01

    1. Protein domain mesoscopic organization 2. Quantum background of lipid domain organization in biomembranes 3. Hierarchic approach to theory of solutions and colloid systems 4. Distant solvent-mediated interaction between macromolecules 5. Spatial self-organization in the water-macromolecular systems 6. Properties of [bisolvent - polymer system] 7. Osmosis and solvent activity. Traditional and mesoscopic approach

  7. [Synthesis of two-organic complexes and characterization of their adsorption behaviour of ten polycyclic aromatic hydrocarbons].

    Science.gov (United States)

    Meng, Jie; Sun, Yuxiu; Li, Yan

    2014-07-01

    Metal-organic frameworks (MOFs) are concerned mainly due to the unusual properties for diverse analytical applications, such as high surface area, good thermal stability, inpore functionally and outer-surface modification. Two metal-organic complexes were prepared by two methods of hydrothermal synthesis and room temperature synthesis, separately. The compositions, structures, thermal stability and adsorption properties of the two complexes were characterized by X-ray powder diffraction (XRD), thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FT-IR), scanning electron microscopy (SEM) and Brunauer-Emmett-Teller (BET) method, which indicated that the two complexes have not only good thermal stability but also good adsorption for polycyclic aromatic hydrocarbons (PAHs). PAHs enter into environment leading to pollution by industrial and agricultural production and life, rooting in the incomplete combustion or pyrolysis of organism. PAHs are strongly carcinogenic and mutagenic. Some PAHs are considered as endocrine disruptors, and maybe have biological effects on human health. Regulations have thus been formulated for monitoring and controlling PAHs by the United States Environmental Protection Agency (U.S. EPA) and other government agencies. Adsorption kinetic of PAHs on the two complexes could be well described by the pseudo-second order kinetic model, and the adsorption behaviors of the two complexes on PAHs are in accord with Langmuir model. In addition, the adsorption capacities increase with the increasing adsorbent dosage. It is proved by the FT-IR data that pi-pi interactions between the PAHs and the framework terephthalic acid molecules. Ten PAHs were adsorbed well on the two complexes which have good adsorptive selectivity. By further optimizing of the two complex materials, it is promising to use them as chromatographic stationary phases.

  8. Extraterrestrial organic chemistry: from the interstellar medium to the origins of life. Part 2: complex organic chemistry in the environment of planets and satellites.

    Science.gov (United States)

    Raulin, F; Kobayashi, K

    2001-01-01

    During COSPAR'00 in Warsaw, Poland, in the frame of Sub-Commission F.3 events (Planetary Biology and Origins of Life), part of COSPAR Commission F (Life Sciences as Related to Space), and Commission B events (Space Studies of the Earth-Moon System, Planets, and Small Bodies of the Solar System) a large joint symposium (F.3.4/B0.8) was held on extraterrestrial organic chemistry. Part 2 of this symposium was devoted to complex organic chemistry in the environment of planets and satellites. The aim of this event was to cover and review new data which have been recently obtained and to give new insights on data which are expected in the near future to increase our knowledge of the complex organic chemistry occurring in several planets and satellites of the Solar System, outside the earth, and their implications for exobiology and life in the universe. The event was composed of two main parts. The first part was mainly devoted to the inner planets and Europa and the search for signatures of life or organics in those environments. The second part was related to the study of the outer solar system.

  9. Enhanced anti-cancer activities of a gold(III) pyrrolidinedithiocarbamato complex incorporated in a biodegradable metal-organic framework.

    Science.gov (United States)

    Sun, Raymond Wai-Yin; Zhang, Ming; Li, Dan; Li, Mian; Wong, Alice Sze-Tsai

    2016-10-01

    An anti-cancer active gold(III) pyrrolidinedithiocarbamato complex [(PDTC)Au(III)Cl2] (1) has been synthesized and characterized by means of X-ray crystallography. Compared to the pyrrolidinedithiocarbamate ligand itself, this gold(III) complex displays an up to 33-fold higher anti-cancer potency towards a panel of cancer cell lines including the cisplatin-resistant ovarian carcinoma cell line (A2780cis). As demonstrated by a set of Transwell® assay-based cytotoxicity experiments, incorporating this gold(III) complex in a zinc-based biodegradable metal-organic framework (MOF) displays a significant enhancement in anti-cancer activity towards A2780cis than the gold(III) complex alone. Copyright © 2016 Elsevier Inc. All rights reserved.

  10. Characterization and luminescent properties of zinc–Schiff base complexes for organic white light emitting devices

    OpenAIRE

    Vandna Nishal; Devender Singh; Raman Kumar Saini; Vijeta Tanwar; Sonika Kadyan; Ritu Srivastava; Pratap Singh Kadyan

    2015-01-01

    Zinc complexes with Schiff base ligands bis(salicylidene)ethylene-1,2-diamine (salen), bis(salicylidene)propylene-1,3-diamine (salpen), bis(salicylidene)butylene-1,4-diamine (salbutene), bis(salicylidene)hexylene-1,6-diamine (salhexene), bis(salicylidene)heptylene-1,7-diamine (salheptene) were synthesized and characterized. All these metal complexes exhibited high thermal stability. The photo-physical properties of zinc complexes were investigated by taking their UV–vis absorption and photolu...

  11. Contributions of the complexity paradigm to the understanding of Cerrado's organization and dynamics

    National Research Council Canada - National Science Library

    MATTOS, SÉRGIO H.V.L. DE; VICENTE, LUIZ E; PEREZ FILHO, ARCHIMEDES; PIQUEIRA, JOSÉ R.C

    2016-01-01

    .... The contributions of the complexity paradigm in this context are still less exploited, despite its great potential for explanations and predictions presented in previous diverse dynamic systems...

  12. Different Evolutionary Paths to Complexity for Small and Large Populations of Digital Organisms

    Science.gov (United States)

    2016-01-01

    A major aim of evolutionary biology is to explain the respective roles of adaptive versus non-adaptive changes in the evolution of complexity. While selection is certainly responsible for the spread and maintenance of complex phenotypes, this does not automatically imply that strong selection enhances the chance for the emergence of novel traits, that is, the origination of complexity. Population size is one parameter that alters the relative importance of adaptive and non-adaptive processes: as population size decreases, selection weakens and genetic drift grows in importance. Because of this relationship, many theories invoke a role for population size in the evolution of complexity. Such theories are difficult to test empirically because of the time required for the evolution of complexity in biological populations. Here, we used digital experimental evolution to test whether large or small asexual populations tend to evolve greater complexity. We find that both small and large—but not intermediate-sized—populations are favored to evolve larger genomes, which provides the opportunity for subsequent increases in phenotypic complexity. However, small and large populations followed different evolutionary paths towards these novel traits. Small populations evolved larger genomes by fixing slightly deleterious insertions, while large populations fixed rare beneficial insertions that increased genome size. These results demonstrate that genetic drift can lead to the evolution of complexity in small populations and that purifying selection is not powerful enough to prevent the evolution of complexity in large populations. PMID:27923053

  13. Molybdenum isotope fractionation during complexation with organic matter in the Critical Zone

    Science.gov (United States)

    King, E. K.; Pett-Ridge, J. C.; Perakis, S. S.

    2016-12-01

    Molybdenum (Mo) is a micronutrient and a redox sensitive trace metal that also forms strong complexes with organic matter (OM). The fractionation of Mo in sediments associated with adsorption onto both iron (Fe) and manganese (Mn) (oxyhydr)oxides under oxic conditions and sulfide phases under euxinic conditions has been used to constrain redox conditions in the ocean. Additionally, Mo isotope dynamics in terrestrial systems can shed light on the pedogenic mechanisms driving the riverine Mo isotopic composition and how atmospheric inputs alter the trace metal budget and isotopic composition of soils. As a result of these studies, it has been hypothesized that multiple mechanisms are responsible for fractionating Mo isotopes. In particular, Mo fractionation during adsorption onto OM is unknown, despite the fact this mechanism is 3x to more than 20x greater than adsorption onto Fe- and Mn- (oxyhydr)oxides across a range of soil types from Oregon, Iceland, and Hawaii1-3 (Marks et al., 2015; Siebert et al., 2015; King et al., 2016). In this study, we measured Mo adsorption and isotopic fractionation onto insolubilized humic acid (IHA), a proxy for OM, as a function of both adsorption time (2-170 h) and pH (2-7). Preliminary results suggest that for the time series experiment, Mo adsorption onto IHA increased from 35% to 64% and a plateau was reached after 24 hours. The average Mo isotope fractionation between the solution and the IHA was Δ98Mosolution-IHA = 1.8 ± 0.3‰. For the pH series experiment, the average Mo isotope fractionation was Δ98Mosolution-IHA = 2.0 ± 0.2‰. Next, we compared the Mo isotopic composition of foliage, O-horizon, and surface soil from 12 sites in the Oregon Coast Range to better understand the impact of OM on Mo isotope dynamics in natural samples. The potential isotopic offset between dissolved and adsorbed Mo onto OM is of the same order of magnitude and direction as fractionation onto Fe- and Mn- (oxyhydr)oxides such as ferrihydrite

  14. Optical studies of the charge transfer complex in polythiophene/fullerene blends for organic photovoltaic applications

    Science.gov (United States)

    Drori, T.; Holt, J.; Vardeny, Z. V.

    2010-08-01

    We studied the photophysics of regioregular polythiophene/ C61 (RR-P3HT/PCBM) blend films utilized for organic photovoltaic applications using the femtosecond transient and steady-state photomodulation techniques with above-gap and below-gap pump excitations and electroabsorption spectroscopy. We provide strong evidence for the existence of charge transfer complex (CTC) state in the blend that is formed deep inside the optical gap of the polymer and fullerene constituents, which is clearly revealed in the electroabsorption spectrum with an onset at 1.2 eV. We identify this “midgap” band as the lowest lying CTC state formed at the interfaces separating the polymer and fullerene phases. With above-gap pump excitation the primary photoexcitations in the blend are excitons and polarons in the polymer domains that are generated within the experimental time resolution (150 fs), having distinguishable photoinduced absorption (PA) bands in the mid-IR. The photogenerated excitons subsequently decay within ˜10ps , consistent with the polymer weak photoluminescence in the blend. In contrast, with below-gap pump excitation, a new PA band in the mid-IR is generated within our time resolution, which is associated with photogenerated species that decay into polarons at much later times; also no PA of excitons is observed. We interpret the photoexcitations as CT excitons, which with below-gap pump excitation are resonantly generated on the CTC states at the interfaces, as the first step for polaron generation, without involving intrachain excitons in the polymer phase. We found that the polarons generated with below-gap pump excitation are trapped at the interfaces with relatively long lifetime, and thus may generate polarons on the polymer chains and fullerene molecules with a different mechanism than with above-gap excitation. In any case the interfacial polarons generated with below-gap excitation do not substantially contribute to the photocurrent density in photovoltaic

  15. Hierarchic Theory of Complex Systems (biosystems, colloids) self-organization and osmosis

    CERN Document Server

    Kaivarainen, A

    2000-01-01

    Summary of 'Hierarchic theory of condensed matter' Introduction 1. Protein domain mesoscopic organization 2. Quantum background of lipid domain organization in biomembranes 3. Hierarchic approach to theory of solutions and colloid systems 4. Distant solvent-mediated interaction between macromolecules 5. Spatial self-organization in the water-macromolecular systems 6. Properties of [bisolvent - polymer system] 7. Osmosis and solvent activity. Traditional and mesoscopic approach

  16. Comparative morphology of the axial complex and interdependence of internal organ systems in sea urchins (Echinodermata: Echinoidea

    Directory of Open Access Journals (Sweden)

    Ziegler Alexander

    2009-06-01

    Full Text Available Abstract Background The axial complex of echinoderms (Echinodermata is composed of various primary and secondary body cavities that interact with each other. In sea urchins (Echinoidea, structural differences of the axial complex in "regular" and irregular species have been observed, but the reasons underlying these differences are not fully understood. In addition, a better knowledge of axial complex diversity could not only be useful for phylogenetic inferences, but improve also an understanding of the function of this enigmatic structure. Results We therefore analyzed numerous species of almost all sea urchin orders by magnetic resonance imaging, dissection, histology, and transmission electron microscopy and compared the results with findings from published studies spanning almost two centuries. These combined analyses demonstrate that the axial complex is present in all sea urchin orders and has remained structurally conserved for a long time, at least in the "regular" species. Within the Irregularia, a considerable morphological variation of the axial complex can be observed with gradual changes in topography, size, and internal architecture. These modifications are related to the growing size of the gastric caecum as well as to the rearrangement of the morphology of the digestive tract as a whole. Conclusion The structurally most divergent axial complex can be observed in the highly derived Atelostomata in which the reorganization of the digestive tract is most pronounced. Our findings demonstrate a structural interdependence of various internal organs, including digestive tract, mesenteries, and the axial complex.

  17. A Theory of Complex Adaptive Inquiring Organizations: Application to Continuous Assurance of Corporate Financial Information

    Science.gov (United States)

    Kuhn, John R., Jr.

    2009-01-01

    Drawing upon the theories of complexity and complex adaptive systems and the Singerian Inquiring System from C. West Churchman's seminal work "The Design of Inquiring Systems" the dissertation herein develops a systems design theory for continuous auditing systems. The dissertation consists of discussion of the two foundational theories,…

  18. A Theory of Complex Adaptive Inquiring Organizations: Application to Continuous Assurance of Corporate Financial Information

    Science.gov (United States)

    Kuhn, John R., Jr.

    2009-01-01

    Drawing upon the theories of complexity and complex adaptive systems and the Singerian Inquiring System from C. West Churchman's seminal work "The Design of Inquiring Systems" the dissertation herein develops a systems design theory for continuous auditing systems. The dissertation consists of discussion of the two foundational theories,…

  19. Effects of Polar Organic Solvent on Separation of Y(edta)-/Nd(edta)- Complexes on Polyacrylic Anion Exchangers

    Institute of Scientific and Technical Information of China (English)

    Halina Hubicka; Dorota Kolodynska

    2005-01-01

    The use of polar organic solvents for the separations of rare earth elements (Ⅲ) is effective especially for their extensive separations despite the solubility limitations. The study shows that polyacrylate anion exchangers, particularly the weakly basic, gel anion exchanger Amberlite IRA 68, can be applied to the separation of rare earth complexes with EDTA in H2O-methanol and H2O-ethanol systems. In most cases the determined distribution coefficients of Ln3+ complexes with EDTA in mixed media like water-methanol on polyacrylate anion exchangers are larger than those in pure water media.

  20. Structural organization of C{sub 60} fullerene, doxorubicin, and their complex in physiological solution as promising antitumor agents

    Energy Technology Data Exchange (ETDEWEB)

    Prylutskyy, Yu. I. [Taras Shevchenko National University of Kyiv (Ukraine); Evstigneev, M. P., E-mail: max-evstigneev@mail.ru [Belgorod State University, Department of Biology and Chemistry (Russian Federation); Cherepanov, V. V. [Institute of Physics of NAS of Ukraine (Ukraine); Kyzyma, O. A.; Bulavin, L. A.; Davidenko, N. A. [Taras Shevchenko National University of Kyiv (Ukraine); Scharff, P. [Ilmenau University of Technology (Germany)

    2015-01-15

    Specific features of structural self-organization of C{sub 60} fullerene (1 nm size range), antitumor antibiotic doxorubicin (Dox) and their complex in physiological solution (0.9 % NaCl) have been investigated by means of atomic-force microscopy, dynamic light scattering, and small-angle X-ray scattering. Significant ordering of the mixed system, C{sub 60} + Dox, was observed, suggesting the complexation between these drugs, and giving insight into the mechanism of enhancement of Dox antitumor effect on simultaneous administration with C{sub 60} fullerene.

  1. Use of Iron (II Salts and Complexes for the Production of Soil Amendments from Organic Solid Wastes

    Directory of Open Access Journals (Sweden)

    Amerigo Beneduci

    2012-01-01

    Full Text Available A method to obtain rapidly stabilized composts for crops from solid organic wastes is evaluated. Here we used a laboratory scale reaction chamber where solid waste treatment was performed under strictly controlled temperature and pressure conditions. The row organic waste was mixed with acid solutions containing iron (II ions either in the fully hydrated form or in the form of complexes with the diethylentriaminopentaacetic acid. Data from elemental analysis distribution and GC/MS analysis of the polar and non polar dissolved organic matter, clearly showed that Fe(II ions significantly enhance organic substrate oxidation of the initial solid waste, compared to a material obtained without the addition of the Fe(II ions to the raw organic matrix. These results suggest that Fe(II ions might be involved in a catalytic oxidation pathway that would be activated under the experimental conditions used. The extent of the oxidation process was evaluated by the value of the C/N ratio and, qualitatively, by the molecular composition of the dissolved organic matter. After about 6 hours of incubation, dark-brown and dry organic matrices were obtained with C/N ratio as low as 12 and a high degree of oxidative decomposition into low-molecular-weight compounds at high oxidation state.

  2. A New Look at Preservice Teachers' Conceptions of Classroom Management and Organization: Uncovering Complexity and Dissonance

    Science.gov (United States)

    Kaufman, Douglas; Moss, David M.

    2010-01-01

    This article examines preservice teachers' conceptions of classroom management and organization in light of their training and beliefs about good teaching. Students in their final year of a 5-year program discussed their definitions and conceptions of classroom management, organization, and rule systems through an open-ended questionnaire.…

  3. Complex systems and emergent behavior : Engaging with computer games to enrich organization studies

    NARCIS (Netherlands)

    Bree, de M.; Lat, de S.

    2011-01-01

    There is an increasing interest in computer games as a source of insight and inspiration for organizations. This article reviews three perspectives that have been taken when attempting to enrich organizations with elements of computer games. We consider the design of computer games to be the most in

  4. THE EFFECT OF TEMPERATURE ON THE GROWTH OF MYCOBACTERIUM AVIUM COMPLEX (MAC) ORGANISMS

    Science.gov (United States)

    MAC organisms are able to grow, persist, and colonize in water distribution systems and may amplify in hospital hot water systems. This study examined the response of MAC organisms (M. avium, M. intracellulare, and MX) to a range of temperatures commonly associated with drinking...

  5. THE EFFECT OF TEMPERATURE ON THE GROWTH OF MYCOBACTERIUM AVIUM COMPLEX (MAC) ORGANISMS

    Science.gov (United States)

    MAC organisms are able to grow, persist, and colonize in water distribution systems and may amplify in hospital hot water systems. This study examined the response of MAC organisms (M. avium, M. intracellulare, and MX) to a range of temperatures commonly associated with drinking...

  6. Effects of organic farming on biodiversity and ecosystem services: taking landscape complexity into account.

    Science.gov (United States)

    Winqvist, Camilla; Ahnström, Johan; Bengtsson, Jan

    2012-02-01

    The recent intensification of the arable landscape by modern agriculture has had negative effects on biodiversity. Organic farming has been introduced to mitigate negative effects, but is organic farming beneficial to biodiversity? In this review, we summarize recent research on the effects of organic farming on arable biodiversity of plants, arthropods, soil biota, birds, and mammals. The ecosystem services of pollination, biological control, seed predation, and decomposition are also included in this review. So far, organic farming seems to enhance the species richness and abundance of many common taxa, but its effects are often species specific and trait or context dependant. The landscape surrounding the focal field or farm also seems to be important. Landscape either enhances or reduces the positive effects of organic farming or acts via interactions where the surrounding landscape affects biodiversity or ecosystem services differently on organic and conventional farms. Finally, we discuss some of the potential mechanisms behind these results and how organic farming may develop in the future to increase its potential for sustaining biodiversity and associated ecosystem services.

  7. Metal–Organic Frameworks Stabilize Mono(phosphine)–Metal Complexes for Broad-Scope Catalytic Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Sawano, Takahiro; Lin, Zekai; Boures, Dean; An, Bing; Wang, Cheng; Lin, Wenbin (UC); (Xiamen)

    2016-08-10

    Mono(phosphine)–M (M–PR3; M = Rh and Ir) complexes selectively prepared by postsynthetic metalation of a porous triarylphosphine-based metal–organic framework (MOF) exhibited excellent activity in the hydrosilylation of ketones and alkenes, the hydrogenation of alkenes, and the C–H borylation of arenes. The recyclable and reusable MOF catalysts significantly outperformed their homogeneous counterparts, presumably via stabilizing M–PR3 intermediates by preventing deleterious disproportionation reactions/ligand exchanges in the catalytic cycles.

  8. Organometallic tris(8-hydroxyquinoline)aluminum complexes as buffer layers and dopants in inverted organic solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Tolkki, Antti, E-mail: antti.tolkki@tut.fi [Department of Chemistry and Bioengineering, Tampere University of Technology, P.O. Box 541, FI-33101, Tampere (Finland); Kaunisto, Kimmo [Department of Chemistry and Bioengineering, Tampere University of Technology, P.O. Box 541, FI-33101, Tampere (Finland); Heiskanen, Juha P. [Department of Chemistry and Bioengineering, Tampere University of Technology, P.O. Box 541, FI-33101, Tampere (Finland); Department of Chemistry, University of Oulu, P.O. Box 3000, FI-90014, Oulu (Finland); Omar, Walaa A.E. [Department of Chemistry, University of Oulu, P.O. Box 3000, FI-90014, Oulu (Finland); Chemistry Branch, Department of Science and Mathematics, Suez Canal University, Suez 43721 (Egypt); Huttunen, Kirsi; Lehtimaeki, Suvi [Department of Chemistry and Bioengineering, Tampere University of Technology, P.O. Box 541, FI-33101, Tampere (Finland); Hormi, Osmo E.O. [Department of Chemistry, University of Oulu, P.O. Box 3000, FI-90014, Oulu (Finland); Lemmetyinen, Helge [Department of Chemistry and Bioengineering, Tampere University of Technology, P.O. Box 541, FI-33101, Tampere (Finland)

    2012-04-30

    Tris(8-hydroxyquinoline)aluminum (Alq{sub 3}) is a frequently used material for organic light emitting diodes. The electronic properties and solubility can be tuned by chemical tailoring of the quinoline part, which makes it an interesting candidate for organic solar cells. Steady-state absorption and fluorescence, as well as time-resolved fluorescence properties of the parent Alq{sub 3} and a series of complexes consisting of derivatives, such as 4-substituted pyrazol, methylpyrazol, arylvinyl, and pyridinoanthrene moieties, of the quinoline ligand, were studied in solutions and in thin films. Suitability of the complexes as anodic buffer layers or dopants in inverted organic solar cells based on the well known bulk heterojunction of poly(3-hexylthiophene) (P3HT) and phenyl-C{sub 61}-butyric acid methyl ester (PCBM) was tested. The devices equipped with the derivatives showed higher power conversion efficiency ({eta}) compared to the photocells containing the parent Alq{sub 3}. Open circuit voltage (V{sub oc}) was increased when the derivatives were utilized as the anodic buffer layer. Doping of the P3HT:PCBM with a small amount of Alq{sub 3} or its derivative improved short circuit current density, V{sub oc}, fill factor, and {eta}, while the series resistance decreased. In addition, the devices were stable in air over several weeks without encapsulation. Possible mechanisms leading to the improvements in the photovoltaic performance by using the parent Alq{sub 3} or its derivative as buffer layer or dopant are discussed. - Highlights: Black-Right-Pointing-Pointer Tris(8-hydroxyquinoline)aluminum (Alq{sub 3}) complexes in inverted organic solar cells. Black-Right-Pointing-Pointer The Alq{sub 3} complexes were used as an anodic buffer layer and as a dopant. Black-Right-Pointing-Pointer Efficiency increased and the derivatives revealed varying open circuit voltage. Black-Right-Pointing-Pointer Photovoltaic performance was stable after storage in a dark ambient

  9. The evolutionary origin of auditory receptors in Tettigonioidea: the complex tibial organ of Schizodactylidae.

    Science.gov (United States)

    Strauss, Johannes; Lakes-Harlan, Reinhard

    2009-01-01

    Audition in insects is of polyphyletic origin. Tympanal ears derived from proprioceptive or vibratory receptor organs, but many questions of the evolution of insect auditory systems are still open. Despite the rather typical bauplan of the insect body, e.g., with a fixed number of segments, tympanal ears evolved at very different places, but only ensiferans have ears at the foreleg tibia, located in the tibial organ. The homology and monophyly of ensiferan ears is controversial, and no precursor organ was unambiguously identified for auditory receptors. The latter can only be identified by comparative study of recent atympanate taxa. These atympanate taxa are poorly investigated. In this paper, we report the neuroanatomy of the tibial organ of Comicus calcaris (Irish 1986), an atympanate Schizodactylid (splay-footed cricket). This representative of a Gondwana relict group has a tripartite sensory organ, homologous to tettigoniid ears. A comparison with morphology-based cladistic phylogeny indicates that the tripartite neuronal organization present in the majority of Tettigonioidea presumably preceded evolution of a hearing sense in the Tettigonioidea. Furthermore, the absence of a tripartite organ in Grylloidea argues against a monophyletic origin and homology of the cricket and katydid ears. The tracheal attachment of sensory neurons typical for ears of Tettigonioidea is present in C. calcaris and may have facilitated cooption for auditory function. The functional auditory organ was presumably formed in evolution by successive non-neural modifications of trachea and tympana. This first investigation of the neuroanatomy of Schizodactylidae suggests a non-auditory chordotonal organ as the precursor for auditory receptors of related tympanate taxa and adds evidence for the phylogenetic position of the group.

  10. Thermophilic anaerobes in arctic marine sediments induced to mineralize complex organic matter at high temperature

    DEFF Research Database (Denmark)

    Hubert, Casey; Arnosti, Carol; Brüchert, Volker

    2010-01-01

    , as well as with the addition of freeze-dried Spirulina or individual high-molecular-weight polysaccharides. During 50°C incubation experiments, Arctic thermophiles catalysed extensive mineralization of the organic matter via extracellular enzymatic hydrolysis, fermentation and sulfate reduction. This high...... temperature-induced food chain mirrors sediment microbial processes occurring at cold in situ temperatures (near 0°C), yet it is catalysed by a completely different set of microorganisms. Using sulfate reduction rates (SRR) as a proxy for organic matter mineralization showed that differences in organic matter...

  11. Food for Thought: Cross-Classification and Category Organization in a Complex Real-World Domain.

    Science.gov (United States)

    Ross, Brian H.; Murphy, Gregory L.

    1999-01-01

    Seven studies involving 256 undergraduates examined how people represent, access, and make inferences about the real-world category domain, foods. Results give a detailed picture of the use of cross-classification in a complex domain. (SLD)

  12. Growth response of four freshwater algal species to dissolved organic nitrogen of different concentration and complexity

    DEFF Research Database (Denmark)

    Fiedler, Dorothea; Graeber, Daniel; Badrian, Maria;

    2015-01-01

    is within the range of concentrations that have been observed in a typical Central European shallow, eutrophic lake. 3. All studied species grew in all treatments, but their biomass gains decreased with increasing complexity of the N source. Urea addition caused the strongest biomass increase, only in some...... concentrations. The importance of complex DON compounds for growth of common phytoplankton species is still unknown. 2. This study compared changes in chlorophyll a concentrations of freshwater phytoplankton with different DON compounds of varying complexity (urea, dissolved free (DFAA) and combined amino acids...... cases matched by nitrate. 4. Urea was also utilised over a longer time period than any other compound, including nitrate. The assumed delay in availability with increasing compound complexity was not supported by this experiment. 5. The studied species differed in their temporal response...

  13. Characterization and luminescent properties of zinc–Schiff base complexes for organic white light emitting devices

    Directory of Open Access Journals (Sweden)

    Vandna Nishal

    2015-12-01

    Full Text Available Zinc complexes with Schiff base ligands bis(salicylideneethylene-1,2-diamine (salen, bis(salicylidenepropylene-1,3-diamine (salpen, bis(salicylidenebutylene-1,4-diamine (salbutene, bis(salicylidenehexylene-1,6-diamine (salhexene, bis(salicylideneheptylene-1,7-diamine (salheptene were synthesized and characterized. All these metal complexes exhibited high thermal stability. The photo-physical properties of zinc complexes were investigated by taking their UV–vis absorption and photoluminescent spectra. The complexes of Schiff bases with zinc gave blue luminescence (430–450 nm under excitation of ultraviolet energy source which can be efficiently used for the generation of white light for display applications.

  14. Novel Monomeric Phenanthroline—Thallium(Ⅲ) Complexes Multinuclear NMR Characterization in Organic Solvents

    Institute of Scientific and Technical Information of China (English)

    GuiBinMA; JuliusGLASER

    2002-01-01

    A novel complex of monomeric thallium (Ⅲ) with the nitrogen donor ligand phenanthroline (phen) has been prepared and characterized by multimuclear NMR(1H,13C,205Tl). The three complexes exist in equilibria in DMSO and acetonitrile solution, which was proved by the 205Tl NMR spectra. The 1H and 13C NMR spectra of tris-phen T1(Ⅲ) complex have been measured, where the spin-spin coupling between T1(I=1/2) and 13C or 1H signals were observed with the 1H and 13C NMR spectroscopy in acetonitrile. The coupling constants are presented and the chemical shifts of complexes are discussed in detail.

  15. Novel Monomeric Phenanthroline - Thallium(Ⅲ) Complexes Multinuclear NMR Characterization in Organic Solvents

    Institute of Scientific and Technical Information of China (English)

    2002-01-01

    A novel complex of monomeric thallium(III) with the nitrogen donor ligand phenanthrolinc (phen) has been prepared and characterized by multinuclear NMR (1H, 13C, 205T1).The three complexes exist in equilibria in DMSO and acetonitrile solution, which was proved by the 205Tl NMR spectra. The 1H and 13C NMR spectra of tris-phen Tl(III) complex have been measured, where the spin-spin coupling between TI (1 = 1/2) and 13C or 1H signals were observed with the 1H and 13C NMR spectroscopy in acetonitrile. The coupling constants are presented and the chemical shifts of complexes are discussed in detail.

  16. Effects of humidity and soil organic matter on the sorption of chlorinated methanes in synthetic humic-clay complexes.

    Science.gov (United States)

    Canan Cabbar, H

    1999-09-10

    Vapor-phase sorption is the most influential process governing the transport and the fate of volatile organic compounds in soil. To understand the influence of both soil organic content and the humidity of soil on the vapor sorption is an important process for degradation processes. The single-pellet moment technique was used to investigate sorption and diffusion of trichloromethane (TCM) and carbon tetrachloride (CTC) at varying relative humidities (0-80%) of synthetic humic-clay complex pellets consisting of clay (montmorillonite) and different amounts of organic matter (humic acid). The effective diffusivities of TCM and CTC did not show a noticeable change with moisture and humic acid content. On the other hand, with increasing humic acid content of clay at 0% relative humidity, an appreciable decrease of the equilibrium sorption constants of the tracers (TCM, CTC) was found because of the blockage of some sites of the mineral surfaces and especially micropores by the humic acid. The presence of water also reduced dramatically the sorption of TCM and CTC on synthetic humic-clay complexes. Above 20% relative humidity, the sorption coefficient of TCM and CTC varied only slightly with humic acid content. It was concluded that the sorption of TCM and CTC in synthetic humic-clay complexes was strongly effected by the moisture and humic acid content.

  17. Insect-Like Organization of the Stomatopod Central Complex: Functional and Phylogenetic Implications

    Science.gov (United States)

    Thoen, Hanne H.; Marshall, Justin; Wolff, Gabriella H.; Strausfeld, Nicholas J.

    2017-01-01

    One approach to investigating functional attributes of the central complex is to relate its various elaborations to pancrustacean phylogeny, to taxon-specific behavioral repertoires and ecological settings. Here we review morphological similarities between the central complex of stomatopod crustaceans and the central complex of dicondylic insects. We discuss whether their central complexes possess comparable functional properties, despite the phyletic distance separating these taxa, with mantis shrimp (Stomatopoda) belonging to the basal branch of Eumalacostraca. Stomatopods possess the most elaborate visual receptor system in nature and display a fascinating behavioral repertoire, including refined appendicular dexterity such as independently moving eyestalks. They are also unparalleled in their ability to maneuver during both swimming and substrate locomotion. Like other pancrustaceans, stomatopods possess a set of midline neuropils, called the central complex, which in dicondylic insects have been shown to mediate the selection of motor actions for a range of behaviors. As in dicondylic insects, the stomatopod central complex comprises a modular protocerebral bridge (PB) supplying decussating axons to a scalloped fan-shaped body (FB) and its accompanying ellipsoid body (EB), which is linked to a set of paired noduli and other recognized satellite regions. We consider the functional implications of these attributes in the context of stomatopod behaviors, particularly of their eyestalks that can move independently or conjointly depending on the visual scene. PMID:28223924

  18. Insect-Like Organization of the Stomatopod Central Complex: Functional and Phylogenetic Implications.

    Science.gov (United States)

    Thoen, Hanne H; Marshall, Justin; Wolff, Gabriella H; Strausfeld, Nicholas J

    2017-01-01

    One approach to investigating functional attributes of the central complex is to relate its various elaborations to pancrustacean phylogeny, to taxon-specific behavioral repertoires and ecological settings. Here we review morphological similarities between the central complex of stomatopod crustaceans and the central complex of dicondylic insects. We discuss whether their central complexes possess comparable functional properties, despite the phyletic distance separating these taxa, with mantis shrimp (Stomatopoda) belonging to the basal branch of Eumalacostraca. Stomatopods possess the most elaborate visual receptor system in nature and display a fascinating behavioral repertoire, including refined appendicular dexterity such as independently moving eyestalks. They are also unparalleled in their ability to maneuver during both swimming and substrate locomotion. Like other pancrustaceans, stomatopods possess a set of midline neuropils, called the central complex, which in dicondylic insects have been shown to mediate the selection of motor actions for a range of behaviors. As in dicondylic insects, the stomatopod central complex comprises a modular protocerebral bridge (PB) supplying decussating axons to a scalloped fan-shaped body (FB) and its accompanying ellipsoid body (EB), which is linked to a set of paired noduli and other recognized satellite regions. We consider the functional implications of these attributes in the context of stomatopod behaviors, particularly of their eyestalks that can move independently or conjointly depending on the visual scene.

  19. Animating Domain-Specific Complex Knowledge : An Analysis of Organic Food Communication

    DEFF Research Database (Denmark)

    Kastberg, Peter

    2014-01-01

    The pivotal point of this paper is an analysis and a discussion of the animated film “MultiTrust”. The film is a result a research project dealing with the “Multicriteria assessment and communication of effects of organic food systems”. A primary intention of this project was to help consumers make...... informed choices when it comes to purchasing organic foods. The animation presents a novel way of communicating domain-specific knowledge of organic food products to consumers. In order to analyze “MultiTrust”, a model of analysis is presented, which is framed by the research field communication...... to communicate domain-specific knowledge of organic foods to a lay audience....

  20. Animating Domain-Specific Complex Knowledge : An Analysis of Organic Food Communication

    DEFF Research Database (Denmark)

    Kastberg, Peter

    2014-01-01

    The pivotal point of this paper is an analysis and a discussion of the animated film “MultiTrust”. The film is a result a research project dealing with the “Multicriteria assessment and communication of effects of organic food systems”. A primary intention of this project was to help consumers make...... informed choices when it comes to purchasing organic foods. The animation presents a novel way of communicating domain-specific knowledge of organic food products to consumers. In order to analyze “MultiTrust”, a model of analysis is presented, which is framed by the research field communication...... to communicate domain-specific knowledge of organic foods to a lay audience....

  1. Computational assessment of electron density in metallo-organic nickel pincer complexes for formation of PC bonds.

    Science.gov (United States)

    Eller, Joshua J; Downey, Karen

    2015-10-05

    Hydrophosphination is an atomically efficient method for introducing new carbon-phosphorous bonds in organic synthesis. New late-transition metal catalytic complexes are proposed to facilitate this process. These nickel-based complexes are analyzed using semiempirical (SE), Hartree-Fock (H-F), and density functional theory (DFT) models. H-F proves to be ineffective, while the SE approach has limited, qualitative use. DFT shows electron density at the metal center suitable for catalyzing bond formation in the proposed, reductive hydrophosphination mechanism. It also shows that the pincer complexes under investigation are relatively insensitive to solvent dielectric constant and to the chemical character of the monodentate ligand, both in terms of electron distribution and in terms of molecular orbital energies.

  2. Synthesis and Characterization of Novel Inorganic-Organic Hybrid Ru(II Complexes and Their Application in Selective Hydrogenation

    Directory of Open Access Journals (Sweden)

    El-Refaie Kenawy

    2010-02-01

    Full Text Available Novel Ru(II complex-based hybrid inorganic-organic materials immobilized via a diamine co-ligand site instead of the conventional diphosphine ligand have been prepared. The complexes were prepared by two different methods: sol-gel and surface modification techniques. The structures of the desired materials were deduced by several available physical measurements like elemental analyses, infrared, FAB-MS and 1H-, 13C- and 31P-NMR spectroscopy. Due to a lack of solubility the structures of xerogel 3 and modified 4 were studied by solid state 13C-, 29Si- and 31P-NMR spectroscopy, infrared spectroscopy and EXAFS. These materials were stable enough to serve as hydrogenation catalysts. Selective hydrogenation of functionalized carbonyls in a,b-unsaturated compounds was successfully carried out under mild conditions in a basic medium using these complexes as catalysts.

  3. Synthesis and characterization of bis (acetylacetonato κ-O, O') [zinc(ii)/copper(ii)] hybrid organic-inorganic complexes as solid metal organic precursors.

    Science.gov (United States)

    Rooydell, Reza; Wang, Ruey-Chi; Brahma, Sanjaya; Ebrahimzadeh, Farzaneh; Liu, Chuan-Pu

    2015-05-07

    We have synthesized novel metal organic hybrid mixed compounds of bis (acetylacetonato κ-O, O') [zinc(ii)/copper(ii)]. Taking C10H14O4Zn0.7Cu0.3 (Z0.7C0.3AA) as an example, the crystals are composed of Z0.7C0.3AA units and uncoordinated water molecules. Single-crystal X-ray diffraction results show that the complex Z0.7C0.3AA crystallizes in the monoclinic system, space group P21/n. The unit cell dimensions are a = 10.329(4) Å, b = 4.6947(18) Å, and c = 11.369(4) Å; the angles are α = 90°, β = 91.881(6)°, and γ = 90°, the volume is 551.0(4) Å(3), and Z = 2. In this process, the M(ii) ions of Zn and Cu mix and occupy the centers of symmetrical structural units, which are coordinated to two ligands. The measured bond lengths and angles of O-M-O vary with the ratio of metal species over the entire series of the complexes synthesized. The chemistry of the as-synthesized compounds has been characterized using infrared spectroscopy, mass spectroscopy, energy-dispersive X-ray spectroscopy, and X-ray photoelectron spectroscopy analysis, and the morphology of the products has been characterized using scanning electron microscopy. The thermal decomposition of the Z0.7C0.3AA composites measured by thermogravimetric analysis suggests that these complexes are volatile. The thermal characteristics of these complexes make them attractive precursors for metal organic chemical vapor deposition.

  4. Complex systems and emergent behavior : Engaging with computer games to enrich organization studies

    OpenAIRE

    2011-01-01

    There is an increasing interest in computer games as a source of insight and inspiration for organizations. This article reviews three perspectives that have been taken when attempting to enrich organizations with elements of computer games. We consider the design of computer games to be the most interesting of the three perspectives and present a case study of applying game design principles in an organizational setting. The study shows the value of such a design process as an instrument for...

  5. Electrospray droplet exposure to organic vapors: metal ion removal from proteins and protein complexes.

    Science.gov (United States)

    DeMuth, J Corinne; McLuckey, Scott A

    2015-01-20

    The exposure of aqueous nanoelectrospray droplets to various organic vapors can dramatically reduce sodium adduction on protein ions in positive ion mass spectra. Volatile alcohols, such as methanol, ethanol, and isopropanol lead to a significant reduction in sodium ion adduction but are not as effective as acetonitrile, acetone, and ethyl acetate. Organic vapor exposure in the negative ion mode, on the other hand, has essentially no effect on alkali ion adduction. Evidence is presented to suggest that the mechanism by which organic vapor exposure reduces alkali ion adduction in the positive mode involves the depletion of alkali metal ions via ion evaporation of metal ions solvated with organic molecules. The early generation of metal/organic cluster ions during the droplet desolvation process results in fewer metal ions available to condense on the protein ions formed via the charged residue mechanism. These effects are demonstrated with holomyoglobin ions to illustrate that the metal ion reduction takes place without detectable protein denaturation, which might be revealed by heme loss or an increase in charge state distribution. No evidence is observed for denaturation with exposure to any of the organic vapors evaluated in this work.

  6. A metallocene molecular complex as visible-light absorber for high-voltage organic-inorganic hybrid photovoltaic cells.

    Science.gov (United States)

    Ishii, Ayumi; Miyasaka, Tsutomu

    2014-04-14

    A thin solid-state dye-sensitized photovoltaic cell is fabricated by composing organic and inorganic heterojunctions in which the visible-light sensitizers are cyclopentadiene derivatives (Cp*) coordinated to a metal oxide, typically TiO2. The coordination bonds of the metallocene molecular complex (Ti-Cp*) create a new LMCT (ligand-to-metal charge transfer) absorption band and induce a rectified charge transfer from the organic ligands to TiO2, leading to photocurrent generation. Photovoltaic junctions are completed by coating crystalline organic molecules (perylene) as a hole-transport layer on the Cp*-coordinated TiO2 surface by using the vapor deposition method. The molecular plane of Cp* on the TiO2 surfaces seems to help the hole-transport layer to form ordered structures, which effectively improve carrier conductivities and minimize interfacial resistance. The organic-inorganic hybrid thin-film photocell with metallocene molecular complexes is capable of generating high open-circuit voltages exceeding 1.2 V. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Co-production of alpha-amylase and beta-galactosidase by Bacillus subtilis in complex organic substrates.

    Science.gov (United States)

    Konsoula, Zoe; Liakopoulou-Kyriakides, Maria

    2007-01-01

    Various nutrients belonging to three categories, carbon, organic nitrogen and complex organic sources, were investigated for the first time in terms of their effect on the co-production of extracellular thermostable alpha-amylase and beta-galactosidase by Bacillus subtilis, a bacterium isolated from fresh sheep's milk. Among the organic nitrogen sources tested, tryptone and corn steep liquor favored their production. Substitution of soluble starch by various starchy substrates, such as corn flour, had a positive effect on both enzyme yields. Furthermore, a two-fold higher production of both enzymes was achieved when corn steep liquor or tryptone was used in combination with the different flours. Among the divalent cations examined, calcium ions appeared to be vital for alpha-amylase production. The crude alpha-amylase and beta-galactosidase produced by this B. subtilis strain exhibited maximal activities at 135 degrees C and 65 degrees C, respectively, and were also found to be significantly stable at elevated temperatures.

  8. The CO-H2 van der Waals complex and complex organic molecules in cold molecular clouds: A TMC-1C survey

    Science.gov (United States)

    Potapov, A.; Sánchez-Monge, Á.; Schilke, P.; Graf, U. U.; Möller, Th.; Schlemmer, S.

    2016-10-01

    Context. Almost 200 different species have been detected in the interstellar medium (ISM) during the last decades, revealing not only simple species but complex molecules with more than six atoms. Other exotic compounds, like the weakly-bound dimer (H2)2, have also been detected in astronomical sources like Jupiter. Aims: We aim to detect, for the first time, the CO-H2 van der Waals complex in the ISM, which could be a sensitive indicator for low temperatures if detected. Methods: We used the IRAM 30 m telescope, located in Pico Veleta (Spain), to search for the CO-H2 complex in a cold, dense core in TMC-1C (with a temperature of ~10 K). All the brightest CO-H2 transitions in the 3 mm (80-110 GHz) band were observed with a spectral resolution of 0.5-0.7 km s-1, reaching a rms noise level of ~2 mK. The simultaneous observation of a broad frequency band, 16 GHz, allowed us to conduct a serendipitous spectral line survey. Results: We did not detected any lines belonging to the CO-H2 complex. We set up a new, more stringent upper limit for its abundance to be [CO-H2]/[CO] ~ 5 × 10-6, while we expect the abundance of the complex to be in the range ~10-8-10-3. The spectral line survey has allowed us to detect 75 lines associated with 41 different species (including isotopologues). We detect a number of complex organic species, for example methyl cyanide (CH3CN), methanol (CH3OH), propyne (CH3CCH), and ketene (CH2CO), associated with cold gas (excitation temperatures ~7 K), confirming the presence of these complex species not only in warm objects but also in cold regimes. Based on observations carried out with the IRAM 30 m Telescope. IRAM is supported by INSU/CNRS (France), MPG (Germany) and IGN (Spain).Reduced spectra (FITS files) are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/594/A117

  9. Quantum mechanical calculation of aqueuous uranium complexes: carbonate, phosphate, organic and biomolecular species

    Directory of Open Access Journals (Sweden)

    Jha Prashant

    2009-08-01

    Full Text Available Abstract Background Quantum mechanical calculations were performed on a variety of uranium species representing U(VI, U(V, U(IV, U-carbonates, U-phosphates, U-oxalates, U-catecholates, U-phosphodiesters, U-phosphorylated N-acetyl-glucosamine (NAG, and U-2-Keto-3-doxyoctanoate (KDO with explicit solvation by H2O molecules. These models represent major U species in natural waters and complexes on bacterial surfaces. The model results are compared to observed EXAFS, IR, Raman and NMR spectra. Results Agreement between experiment and theory is acceptable in most cases, and the reasons for discrepancies are discussed. Calculated Gibbs free energies are used to constrain which configurations are most likely to be stable under circumneutral pH conditions. Reduction of U(VI to U(IV is examined for the U-carbonate and U-catechol complexes. Conclusion Results on the potential energy differences between U(V- and U(IV-carbonate complexes suggest that the cause of slower disproportionation in this system is electrostatic repulsion between UO2 [CO3]35- ions that must approach one another to form U(VI and U(IV rather than a change in thermodynamic stability. Calculations on U-catechol species are consistent with the observation that UO22+ can oxidize catechol and form quinone-like species. In addition, outer-sphere complexation is predicted to be the most stable for U-catechol interactions based on calculated energies and comparison to 13C NMR spectra. Outer-sphere complexes (i.e., ion pairs bridged by water molecules are predicted to be comparable in Gibbs free energy to inner-sphere complexes for a model carboxylic acid. Complexation of uranyl to phosphorus-containing groups in extracellular polymeric substances is predicted to favor phosphonate groups, such as that found in phosphorylated NAG, rather than phosphodiesters, such as those in nucleic acids.

  10. Fully automatic segmentation of complex organ systems: example of trachea, esophagus and heart segmentation in CT images

    Science.gov (United States)

    Meyer, Carsten; Peters, Jochen; Weese, Jürgen

    2011-03-01

    Automatic segmentation is a prerequisite to efficiently analyze the large amount of image data produced by modern imaging modalities. Many algorithms exist to segment individual organs or organ systems. However, new clinical applications and the progress in imaging technology will require the segmentation of more and more complex organ systems composed of a number of substructures, e.g., the heart, the trachea, and the esophagus. The goal of this work is to demonstrate that such complex organ systems can be successfully segmented by integrating the individual organs into a general model-based segmentation framework, without tailoring the core adaptation engine to the individual organs. As an example, we address the fully automatic segmentation of the trachea (around its main bifurcation, including the proximal part of the two main bronchi) and the esophagus in addition to the heart with all chambers and attached major vessels. To this end, we integrate the trachea and the esophagus into a model-based cardiac segmentation framework. Specifically, in a first parametric adaptation step of the segmentation workflow, the trachea and the esophagus share global model transformations with adjacent heart structures. This allows to obtain a robust, approximate segmentation for the trachea even if it is only partly inside the field-of-view, and for the esophagus in spite of limited contrast. The segmentation is then refined in a subsequent deformable adaptation step. We obtained a mean segmentation error of about 0.6mm for the trachea and 2.3mm for the esophagus on a database of 23 volumetric cardiovascular CT images. Furthermore, we show by quantitative evaluation that our integrated framework outperforms individual esophagus segmentation, and individual trachea segmentation if the trachea is only partly inside the field-of-view.

  11. Spectroscopic and structural studies of the first complex formed between salinomycin and organic amine

    Science.gov (United States)

    Antoszczak, Michał; Janczak, Jan; Brzezinski, Bogumił; Huczyński, Adam

    2017-02-01

    For the first time, the crystalline complex of salinomycin with benzylamine was obtained and its molecular structure was studied using single crystal X-ray diffraction, FT-IR, 1H NMR, 13C NMR, 2D NMR and ESI MS methods. These studies provided evidence that the proton from the carboxylic group of salinomycin (SAL) is transferred to the amine group of benzylamine (BnA) forming the host-guest complex (SAL-BnA). It was shown that the SAL-BnA complex both in solid state and in chloroform solution is stabilized by the intramolecular O-H⋯O hydrogen bonds and also by the intermolecular hydrogen bonding interactions of the carboxylate, ketone and/or hydroxyl groups of SAL with water molecules present in the investigated system. The solvated acetonitrile molecules are additionally located in the voids between the SAL-BnA complex molecules in the crystal structure, while water molecules involved in the dihydrated crystalline SAL-BnA complex partially move into the solvent upon dissolution in chloroform.

  12. Organization Complexity and Primary Care Providers' Perceptions of Quality Improvement Culture Within the Veterans Health Administration.

    Science.gov (United States)

    Korom-Djakovic, Danijela; Canamucio, Anne; Lempa, Michele; Yano, Elizabeth M; Long, Judith A

    2016-01-01

    This study examined how aspects of quality improvement (QI) culture changed during the introduction of the Veterans Health Administration (VHA) patient-centered medical home initiative and how they were influenced by existing organizational factors, including VHA facility complexity and practice location. A voluntary survey, measuring primary care providers' (PCPs') perspectives on QI culture at their primary care clinics, was administered in 2010 and 2012. Participants were 320 PCPs from hospital- and community-based primary care practices in Pennsylvania, West Virginia, Delaware, New Jersey, New York, and Ohio. PCPs in community-based outpatient clinics reported an improvement in established processes for QI, and communication and cooperation from 2010 to 2012. However, their peers in hospital-based clinics did not report any significant improvements in QI culture. In both years, compared with high-complexity facilities, medium- and low-complexity facilities had better scores on the scales assessing established processes for QI, and communication and cooperation.

  13. The fate of complex ecologies: How do species organize? An exact method

    Science.gov (United States)

    Roman, Ahmed; Pleimling, Michel

    2014-03-01

    Complex ecology models present a bridge between far from equilibrium physics and biology of populations. The May-Leonard, Rock-Paper-Scissor and Lotka-Volterra models have been extensively studied in an attempt to understand the dynamics of finite but large populations. In this talk we present a new theoretical technique which predicts the dynamics of these models for any complex ecology with interactions similar to the aforementioned models. This method has applications to real-world systems as it presents a simple method to predict correlations among two or more species in a complex ecology. We apply this method to the models mentioned and show that exact agreement between predictions and Monte-Carlo simulation data is obtained. This method could be applied to a wide variety of problems from economics to biology and game theory. This work is supported by the US National Science Foundation through grant DMR-1205309.

  14. Complex Organic Molecules at High Spatial Resolution Toward Orion-KL I: Spatial Scales

    CERN Document Server

    Weaver, Susanna L Widicus

    2012-01-01

    Here we present high spatial resolution (<1 arcsecond) observations of molecular emission in Orion-KL conducted using the Combined Array for Research in Millimeter-Wave Astronomy (CARMA). This work was motivated by recent millimeter continuum imaging studies of this region conducted at a similarly high spatial resolution, which revealed that the bulk of the emission arises from numerous compact sources, rather than the larger-scale extended structures typically associated with the Orion Hot Core and Compact Ridge. Given that the spatial extent of molecular emission greatly affects the determination of molecular abundances, it is important to determine the true spatial scale for complex molecules in this region. Additionally, it has recently been suggested that the relative spatial distributions of complex molecules in a source might give insight into the chemical mechanisms that drive complex chemistry in star-forming regions. In order to begin to address these issues, this study seeks to determine the spa...

  15. Lethal synergism between organic and inorganic wood preservatives via formation of an unusual lipophilic ternary complex

    Energy Technology Data Exchange (ETDEWEB)

    Sheng, Zhi-Guo; Li, Yan; Fan, Rui-Mei; Chao, Xi-Juan [State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Science, Chinese Academy of Sciences, Beijing 100085 (China); Zhu, Ben-Zhan, E-mail: bzhu@rcees.ac.cn [State Key Laboratory of Environmental Chemistry and Ecotoxicology, Research Center for Eco-Environmental Science, Chinese Academy of Sciences, Beijing 100085 (China); Linus Pauling Institute, Oregon State University, Corvallis, OR 97331 (United States)

    2013-02-01

    We have shown previously that exposing bacteria to wood preservatives pentachlorophenol (PCP) and copper-containing compounds together causes synergistic toxicity. However, it is not clear whether these findings also hold true in mammalian cells; and if so, what is the underlying molecular mechanism? Here we show that PCP and a model copper complex bis-(1,10-phenanthroline) cupric (Cu(OP){sub 2}), could also induce synergistic cytotoxicity in human liver cells. By the single crystal X-ray diffraction and atomic absorption spectroscopy assay, the synergism was found to be mainly due to the formation of a lipophilic ternary complex with unusual structural and composition characteristics and subsequent enhanced cellular copper uptake, which markedly promoted cellular reactive oxygen species (ROS) production, leading to apoptosis by decreasing mitochondrial membrane potential, increasing pro-apoptotic protein expression, releasing cytochrome c from mitochondria and activating caspase-3, and -9. Analogous results were observed with other polychlorinated phenols (PCPs) and Cu(OP){sub 2}. Synergistic cytotoxicity could be induced by PCP/Cu(OP){sub 2} via formation of an unusual lipophilic complex in HepG2 cells. The formation of ternary complexes with similar lipophilic character could be of relevance as a general mechanism of toxicity, which should be taken into consideration especially when evaluating the toxicity of environmental pollutants found at currently-considered non- or sub-toxic concentrations. -- Highlights: ► The combination of PCP/Cu(OP){sub 2} induces synergistic cytotoxicity in HepG2 cells. ► The synergism is mainly due to forming a lipophilic ternary complex between them. ► The formation of lipophilic ternary complex enhances cellular copper uptake. ► PCP/Cu(OP){sub 2} stimulates the cellular ROS production. ► The ROS promoted by PCP/Cu(OP){sub 2} induces mitochondria-dependent apoptosis.

  16. Distinct levels in the nanoscale organization of DNA-histone complex revealed by its mechanical unfolding

    Science.gov (United States)

    Soni, G. V.; Brar, Loveleen; Hameed, Feroz M.; Raychaudhuri, A. K.; Shivashankar, G. V.

    2007-04-01

    Mechanical unfolding of nanoscale DNA-histone complex, using an atomic force microscope, shows a stepwise disassembly of histones from the nucleosome. A quantitative analysis of the rupture jump statistics and the length released per jump reveals insights into the possible histone contacts within the octamer complex. The measured ruptures correlate with the breakage of multiple contacts that stabilize the histone octamer. These results provide a mechanistic basis by which stepwise disassembly of histone proteins may result from an external force exerted by the adenosinetriphosphate (ATP) dependent chromatin remodeling machines to access regulatory sites on DNA.

  17. Organization of knowledge and the complex identity of history of science.

    Science.gov (United States)

    Alfonso-Goldfarb, Ana M; Waisse, Silvia; Ferraz, Márcia H M

    2013-09-01

    History of science as a formal and autonomous field of research crosses over disciplinary boundaries. For this reason, both its production and its working materials are difficult to classify and catalog according to discipline-based systems of organization of knowledge. Three main problems might be pointed out in this regard: the disciplines themselves are subject to a historical process of transformation; some objects of scientific inquiry resist constraint within rigid disciplinary grids but, rather, extend across several disciplinary boundaries; and the so-called digital revolution has replaced spatial with temporal display sequences and shifted the traditional emphasis on knowledge to user-oriented approaches. The first part of this essay is devoted to a conceptual analysis of the various approaches to the organization of knowledge formulated over time, whereas the second considers the new possibilities afforded by a faceted model of knowledge organization compatible with user-oriented relational databases to the research materials and production of history of science.

  18. Photochemical activation of ruthenium(II)-pyridylamine complexes having a pyridine-N-oxide pendant toward oxygenation of organic substrates.

    Science.gov (United States)

    Kojima, Takahiko; Nakayama, Kazuya; Sakaguchi, Miyuki; Ogura, Takashi; Ohkubo, Kei; Fukuzumi, Shunichi

    2011-11-09

    Ruthenium(II)-acetonitrile complexes having η(3)-tris(2-pyridylmethyl)amine (TPA) with an uncoordinated pyridine ring and diimine such as 2,2'-bipyridine (bpy) and 2,2'-bipyrimidine (bpm), [Ru(II)(η(3)-TPA)(diimine)(CH(3)CN)](2+), reacted with m-chloroperbenzoic acid to afford corresponding Ru(II)-acetonitrile complexes having an uncoordinated pyridine-N-oxide arm, [Ru(II)(η(3)-TPA-O)(diimine)(CH(3)CN)](2+), with retention of the coordination environment. Photoirradiation of the acetonitrile complexes having diimine and the η(3)-TPA with the uncoordinated pyridine-N-oxide arm afforded a mixture of [Ru(II)(TPA)(diimine)](2+), intermediate-spin (S = 1) Ru(IV)-oxo complex with uncoordinated pyridine arm, and intermediate-spin Ru(IV)-oxo complex with uncoordinated pyridine-N-oxide arm. A Ru(II) complex bearing an oxygen-bound pyridine-N-oxide as a ligand and bpm as a diimine ligand was also obtained, and its crystal structure was determined by X-ray crystallography. Femtosecond laser flash photolysis of the isolated O-coordinated Ru(II)-pyridine-N-oxide complex has been investigated to reveal the photodynamics. The Ru(IV)-oxo complex with an uncoordinated pyridine moiety was alternatively prepared by reaction of the corresponding acetonitrile complex with 2,6-dichloropyridine-N-oxide (Cl(2)py-O) to identify the Ru(IV)-oxo species. The formation of Ru(IV)-oxo complexes was concluded to proceed via intermolecular oxygen atom transfer from the uncoordinated pyridine-N-oxide to a Ru(II) center on the basis of the results of the reaction with Cl(2)py-O and the concentration dependence of the consumption of the starting Ru(II) complexes having the uncoordinated pyridine-N-oxide moiety. Oxygenation reactions of organic substrates by [Ru(II)(η(3)-TPA-O)(diimine)(CH(3)CN)](2+) were examined under irradiation (at 420 ± 5 nm) and showed selective allylic oxygenation of cyclohexene to give cyclohexen-1-ol and cyclohexen-1-one and cumene oxygenation to afford cumyl alcohol

  19. Early evolution of large micro-organisms with cytological complexity revealed by microanalyses of 3.4 Ga organic-walled microfossils.

    Science.gov (United States)

    Sugitani, K; Mimura, K; Takeuchi, M; Lepot, K; Ito, S; Javaux, E J

    2015-11-01

    The Strelley Pool Formation (SPF) is widely distributed in the East Pilbara Terrane (EPT) of the Pilbara Craton, Western Australia, and represents a Paleoarchean shallow-water to subaerial environment. It was deposited ~3.4 billion years ago and displays well-documented carbonate stromatolites. Diverse putative microfossils (SPF microfossils) were recently reported from several localities in the East Strelley, Panorama, Warralong, and Goldsworthy greenstone belts. Thus, the SPF provides unparalleled opportunities to gain insights into a shallow-water to subaerial ecosystem on the early Earth. Our new micro- to nanoscale ultrastructural and microchemical studies of the SPF microfossils show that large (20-70 μm) lenticular organic-walled flanged microfossils retain their structural integrity, morphology, and chain-like arrangements after acid (HF-HCl) extraction (palynology). Scanning and transmitted electron microscopy of extracted microfossils revealed that the central lenticular body is either alveolar or hollow, and the wall is continuous with the surrounding smooth to reticulated discoidal flange. These features demonstrate the evolution of large micro-organisms able to form an acid-resistant recalcitrant envelope or cell wall with complex morphology and to form colonial chains in the Paleoarchean era. This study provides evidence of the evolution of very early and remarkable biological innovations, well before the presumed late emergence of complex cells.

  20. Filling the Green Gap of a Megadalton Photosystem I Complex by Conjugation of Organic Dyes

    NARCIS (Netherlands)

    Gordiichuk, Pavlo I; Rimmerman, Dolev; Paul, Avishek; Gautier, Daniel A; Gruszka, Agnieszka; Saller, Manfred; de Vries, Jan Willem; Wetzelaer, Gert-Jan A H; Manca, Marianna; Gomulya, Widianta; Matmor, Maayan; Gloukhikh, Ekaterina; Loznik, Mark; Ashkenasy, Nurit; Blom, Paul W M; Rögner, Matthias; Loi, Maria Antonietta; Richter, Shachar; Herrmann, Andreas

    2016-01-01

    Photosynthesis is Natur&s major process for converting solar into chemical energy. One of the key players' in this process is the multiprotein complex photosystem I (PSI) that through absorption of incident,photons enables electron transfer, which makes this, protein attractive for applications in b

  1. Managing the Process of Protection Level Assessment of the Complex Organization and Technical Industrial Enterprises

    Science.gov (United States)

    Gorlov, A. P.; Averchenkov, V. I.; Rytov, M. Yu; Eryomenko, V. T.

    2017-01-01

    The article is concerned with mathematical simulation of protection level assessment of complex organizational and technical systems of industrial enterprises by creating automated system, which main functions are: information security (IS) audit, forming of the enterprise threats model, recommendations concerning creation of the information protection system, a set of organizational-administrative documentation.

  2. Structural organization of the needle complex of the type III secretion apparatus of Shigella flexneri

    NARCIS (Netherlands)

    Sani, Musa; Allaoui, Abdelmounaaïm; Fusetti, Fabrizia; Oostergetel, Gert T.; Keegstra, Wilko; Boekema, Egbert J.

    2007-01-01

    The secretion apparatus known as the needle complex (NC) from the bacterium Shigella flexneri was studied by single particle electron microscopy. The isolated intact NC appears in projection to be composed of a basal body consisting of seven rings and a protruding needle appendage. A comparison of a

  3. [Bacteria of the Burkholderia cepacia complex: specific features of diagnostics, genome organization and metabolism].

    Science.gov (United States)

    Shaginian, I A; Chernukha, M Iu

    2003-01-01

    Modern data, related with the identification and typing of the complex B. cepacia bacteria, are analyzed in the article by using the poly-phase taxonomic approach. An optimal scheme for identifying and typing the complex B. cepacia bacteria, involving the microbiological and molecular-biological methods of laboratory diagnostics, is presented. The key and assumed factors of pathogenicity of the discussed bacteria are described. The possible phylogenetic relations of the complex B. cepacia bacteria with phytopathgens as well as with pathogenic bacteria of species Burkholderia, Pseudomonas, Escherichia, B. mallei, B. pdeudomallei, P. seruginosa and E. coli are described. A possible role of genome alterations and mutations in the genome of the complex B. cepacia bacteria (with the latter genome having unusual properties, i.e. a big size, and a considerable quantity of insertion sequences) in creating the conditions for the "pulsing" evolution "jerks", i.e. for a rapid change-over from saprophytism in the soil to a pathogenic causative agent of a viral-and-bacteriological infection. Such mechanism can be regarded as a rapid and radical adaptation of a microorganism under the conditions of changing ecological niches.

  4. CE-ESI-MS separation of divalent organic and inorganic anions using a tricationic complexing reagent.

    Science.gov (United States)

    Gerardi, Anthony R; Lin, Xiuli; Breitbach, Zachary S; Armstrong, Daniel W; Colyer, Christa L

    2012-02-01

    A tricationic ion-pairing reagent, 1,3,5-1-butyl-3-methyl-1H-imidazol-3-ium-2,4,6-trimethylbenzene, was used to form complexes with doubly charged anions for their subsequent analysis by capillary electrophoresis-electrospray ionization-mass spectrometry (CE-ESI-MS) in the positive-ion mode. This methodology offers the advantages of greater versatility and sensitivity relative to direct detection of the anions in negative-ion mode, and it can be realized by a number of possible complexation strategies, including pre-column, on-column, and post-column modes. Three model anions, sulfate [SO₄²⁻], thiosulfate [TSFA, S₂O₃²⁻], and benzenedisulfonate [BZDS, C₆H₄(SO₃)₂²⁻], were amenable to complexation with the tricationic reagent, yielding singly charged cations with greater mass-to-charge (m/z) ratios than the native analytes. By utilizing optimized parameters obtained through previous work with dicationic reagents and singly charged anions, including the CE separation buffer composition and pH, the concentration of the dicationic reagent, the mode of complexation, the nebulizing gas pressure, and the sheath liquid composition, it was possible to develop a robust CE-ESI-MS method appropriate for the analysis of divalent anions in a mixture.

  5. Third Possibility Leaders: The Invisible Edge Women Have in Complex Organizations

    Science.gov (United States)

    Regine, Birute; Lewin, Roger

    2003-01-01

    Complexity science may be described as a feminine science because it demands holistic thinking, something that women are generally better at than men. A total of 50 women leaders in the USA, Canada, Australia, and the UK were interviewed, women who displayed what is called "third possibility leadership", that is they were able to hold masculine…

  6. Measuring the pollutant transport capacity of dissolved organic matter in complex matrixes

    DEFF Research Database (Denmark)

    Persson, L.; Alsberg, T.; Odham, G.

    2003-01-01

    were used and evaluated, head-space solid-phase micro-extraction (HS-SPME), enhanced solubility (ES) and fluorescence quenching (FQ). It was concluded that for samples with complex matrixes it was possible to measure the net effect of the DOM binding capacity and the salting out effect of the matrix...

  7. PRINCIPLES OF ORGANIZATION OF INNOVATION ACTIVITY IN SCIENTIFIC AGRO-INDUSTRIAL COMPLEX

    Directory of Open Access Journals (Sweden)

    Mironchuk V. A.

    2014-12-01

    Full Text Available The article provides and justifies the most preferred principle of innovative activity in agro-industrial complex - the development of multilevel model based on marketing concept of spheres and its approaches to managing innovation. The concept aims to create a competitive scientific and technical production, demand in the market through active marketing of the scientific-technical and innovation industry

  8. Information and self-organization a macroscopic approach to complex systems

    CERN Document Server

    Haken, Hermann

    1988-01-01

    Complex systems are ubiquitous, and practically all branches of science ranging from physics through chemistry and biology to economics and sociology have to deal with them. In this book we wish to present concepts and methods for dealing with complex systems from a unifying point of view. Therefore it may be of inter­ est to graduate students, professors and research workers who are concerned with theoretical work in the above-mentioned fields. The basic idea for our unified ap­ proach sterns from that of synergetics. In order to find unifying principles we shall focus our attention on those situations where a complex system changes its macroscopic behavior qualitatively, or in other words, where it changes its macroscopic spatial, temporal or functional structure. Until now, the theory of synergetics has usually begun with a microscopic or mesoscopic description of a complex system. In this book we present an approach which starts out from macroscopic data. In particular we shall treat systems that acquir...

  9. Structural organization of the needle complex of the type III secretion apparatus of Shigella flexneri

    NARCIS (Netherlands)

    Sani, Musa; Allaoui, Abdelmounaaïm; Fusetti, Fabrizia; Oostergetel, Gert T.; Keegstra, Wilko; Boekema, Egbert J.

    2007-01-01

    The secretion apparatus known as the needle complex (NC) from the bacterium Shigella flexneri was studied by single particle electron microscopy. The isolated intact NC appears in projection to be composed of a basal body consisting of seven rings and a protruding needle appendage. A comparison of

  10. A Comparative Analysis: The Structure and Function of Task-Oriented Communication within Complex Organizations.

    Science.gov (United States)

    McElreath, Mark P.

    The research presented in this paper demonstrates that Katz and Kahn's (1966) distinction between people-processing and object-processing organizations is a useful classification scheme that can help explain differences in organizational communication systems. To assess the usefulness of Katz and Kahn's scheme, data derived from a sample of more…

  11. Soil Organic Matter in Its Native State: Unravelling the Most Complex Biomaterial on Earth.

    Science.gov (United States)

    Masoom, Hussain; Courtier-Murias, Denis; Farooq, Hashim; Soong, Ronald; Kelleher, Brian P; Zhang, Chao; Maas, Werner E; Fey, Michael; Kumar, Rajeev; Monette, Martine; Stronks, Henry J; Simpson, Myrna J; Simpson, André J

    2016-02-16

    Since the isolation of soil organic matter in 1786, tens of thousands of publications have searched for its structure. Nuclear magnetic resonance (NMR) spectroscopy has played a critical role in defining soil organic matter but traditional approaches remove key information such as the distribution of components at the soil-water interface and conformational information. Here a novel form of NMR with capabilities to study all physical phases termed Comprehensive Multiphase NMR, is applied to analyze soil in its natural swollen-state. The key structural components in soil organic matter are identified to be largely composed of macromolecular inputs from degrading biomass. Polar lipid heads and carbohydrates dominate the soil-water interface while lignin and microbes are arranged in a more hydrophobic interior. Lignin domains cannot be penetrated by aqueous solvents even at extreme pH indicating they are the most hydrophobic environment in soil and are ideal for sequestering hydrophobic contaminants. Here, for the first time, a complete range of physical states of a whole soil can be studied. This provides a more detailed understanding of soil organic matter at the molecular level itself key to develop the most efficient soil remediation and agricultural techniques, and better predict carbon sequestration and climate change.

  12. Integrating a complex rotation with no-till improves weed management in organic farming

    Science.gov (United States)

    No-till practices are restoring and protecting soil health, and are considered critical for achieving sustainability of global agriculture. Organic producers in the United States would like to no-till, but are concerned about managing weeds without tillage. In conventional agriculture, no-till imp...

  13. Selective removal of phosphate for analysis of organic acids in complex samples.

    Science.gov (United States)

    Deshmukh, Sandeep; Frolov, Andrej; Marcillo, Andrea; Birkemeyer, Claudia

    2015-04-03

    Accurate quantitation of compounds in samples of biological origin is often hampered by matrix interferences one of which occurs in GC-MS analysis from the presence of highly abundant phosphate. Consequently, high concentrations of phosphate need to be removed before sample analysis. Within this context, we screened 17 anion exchange solid-phase extraction (SPE) materials for selective phosphate removal using different protocols to meet the challenge of simultaneous recovery of six common organic acids in aqueous samples prior to derivatization for GC-MS analysis. Up to 75% recovery was achieved for the most organic acids, only the low pKa tartaric and citric acids were badly recovered. Compared to the traditional approach of phosphate removal by precipitation, SPE had a broader compatibility with common detection methods and performed more selectively among the organic acids under investigation. Based on the results of this study, it is recommended that phosphate removal strategies during the analysis of biologically relevant small molecular weight organic acids consider the respective pKa of the anticipated analytes and the detection method of choice. Copyright © 2015 Elsevier B.V. All rights reserved.

  14. An in-vivo study for targeted delivery of copper-organic complex to breast cancer using chitosan polymer nanoparticles.

    Science.gov (United States)

    Pramanik, Arindam; Laha, Dipranjan; Dash, Sandeep Kumar; Chattopadhyay, Sourav; Roy, Somenath; Das, Dipak Kumar; Pramanik, Panchanan; Karmakar, Parimal

    2016-11-01

    We have developed a strategy for targeted delivery of metal-diketo complex, "bis(2,4-pentanedionato) copper(II)" to breast cancer cells both in-vitro and in-vivo. This metal-organic complex induced ROS and subsequently DNA damage as well as mitochondrial membrane depolarization was observed. The mitochondria rupture further triggered apoptosis. For in-vitro targeting strategies, two different approaches were employed, folic acid or her-2 specific peptide (KCCYSL) was attached to stearic acid-modified polymeric Chitosan nanoparticles loaded with metal-organic complex "bis(2,4-pentanedionato)copper(II)". This was tested on two pairs of isogenic cells (FR+/FR- MCf-7 and her2+ /her2- MCF-7) and it was observed that cells expressing the receptor were susceptible to the drug whereas non-expressing isogenic cells were almost un-affected. During in-vivo studies, mice receiving targeted delivery of bis(2,4-pentanedionato) copper (II) had increased survivability and reduced tumor volume compared to non-targeted drug delivery. During toxicity studies for liver enzymes it was also found that the mice receiving targeted drug did not show any sign of liver damage as well as other histology changes. Copyright © 2016 Elsevier B.V. All rights reserved.

  15. Development of a full automation solid phase microextraction method for investigating the partition coefficient of organic pollutant in complex sample.

    Science.gov (United States)

    Jiang, Ruifen; Lin, Wei; Wen, Sijia; Zhu, Fang; Luan, Tiangang; Ouyang, Gangfeng

    2015-08-07

    A fully automated solid phase microextraction (SPME) depletion method was developed to study the partition coefficient of organic compound between complex matrix and water sample. The SPME depletion process was conducted by pre-loading the fiber with a specific amount of organic compounds from a proposed standard gas generation vial, and then desorbing the fiber into the targeted samples. Based on the proposed method, the partition coefficients (Kmatrix) of 4 polyaromatic hydrocarbons (PAHs) between humic acid (HA)/hydroxypropyl-β-cyclodextrin (β-HPCD) and aqueous sample were determined. The results showed that the logKmatrix of 4 PAHs with HA and β-HPCD ranged from 3.19 to 4.08, and 2.45 to 3.15, respectively. In addition, the logKmatrix values decreased about 0.12-0.27 log units for different PAHs for every 10°C increase in temperature. The effect of temperature on the partition coefficient followed van't Hoff plot, and the partition coefficient at any temperature can be predicted based on the plot. Furthermore, the proposed method was applied for the real biological fluid analysis. The partition coefficients of 6 PAHs between the complex matrices in the fetal bovine serum and water were determined, and compared to ones obtained from SPME extraction method. The result demonstrated that the proposed method can be applied to determine the sorption coefficients of hydrophobic compounds between complex matrix and water in a variety of samples.

  16. Chemistry by nanocatalysis: First example of a solid-supported RAPTA complex for organic reactions in aqueous medium

    KAUST Repository

    García-Garrido, Sergio E.

    2010-11-18

    A ruthenium-arene-PTA (RAPTA) complex has been supported for the first time on an inorganic solid, that is, silica-coated ferrite nanoparticles. The resulting magnetic material proved to be a general, very efficient and easily reusable catalyst for three synthetically useful organic transformations; selective nitrile hydration, redox isomerization of allylic alcohols, and heteroannulation of (Z)-enynols. The use of low metal concentration, environmentally friendly water as a reaction medium, with no use at all of organic solvent during or after the reactions, and microwaves as an alternative energy source renders the synthetic processes reported herein "truly" green and sustainable. RAPTA\\'s delight: A nano-RAPTA complex supported on silica-coated ferrite nanoparticles proved to be a general, very efficient and easily reusable catalyst for three synthetically useful organic transformations; selective nitrile hydration, redox isomerization of allylic alcohols, and heteroannulation of (Z)-enynols. The use of low metal concentrations, water as a reaction medium, and microwaves as an energy source renders these processes green and sustainable. © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. An exploratory investigation of polar organic compounds in waters from a lead–zinc mine and mill complex

    Science.gov (United States)

    Rostad, Colleen E.; Schmitt, Christopher J.; Schumacher, John G.; Leiker, Thomas J.

    2011-01-01

    Surface water samples were collected in 2006 from a lead mine-mill complex in Missouri to investigate possible organic compounds coming from the milling process. Water samples contained relatively high concentrations of dissolved organic carbon (DOC; greater than 20 mg/l) for surface waters but were colorless, implying a lack of naturally occurring aquatic humic or fulvic acids. Samples were extracted by three different types of solid-phase extraction and analyzed by electrospray ionization/mass spectrometry. Because large amounts of xanthate complexation reagents are used in the milling process, techniques were developed to extract and analyze for sodium isopropyl xanthate and sodium ethyl xanthate. Although these xanthate reagents were not found, trace amounts of the degradates, isopropyl xanthyl thiosulfonate and isopropyl xanthyl sulfonate, were found in most locations sampled, including the tailings pond downstream. Dioctyl sulfosuccinate, a surfactant and process filtering aid, was found at concentrations estimated at 350 μg/l at one mill outlet, but not downstream. Release of these organic compounds downstream from lead-zinc mine and milling areas has not previously been reported. A majority of the DOC remains unidentified.

  18. THE COMPLEX ORGANIZATION OF EUKARYOTIC CELL NUCLEUS: THE NUCLEAR BODIES (I

    Directory of Open Access Journals (Sweden)

    Cristian Campeanu

    2012-10-01

    Full Text Available Identified short time after the discovery of cells, over 300 years ago, the cell nucleus of eukaryotes continuously focused the interest of scientists, which used increasingly sophisticated research tools to clarify its complex structure and functions. The results of all these studies, especially those carried out in the second half of the past century, proved and confirmed that the eukaryotic cell nucleus is the control center of all cellular activities and also ensures the continuity of genetic information along successive generations of cells. These vital functions are the result of selective expression of genes contained in the nuclear chromatin, which is a high ordered and dynamic structure, in permanent and bilateral relations with other nuclear components. Based on these considerations, the present review aims to synthetize the latest researches and concepts about the cell nuclear territory in three distinctive parts, according to the complexity of the topic

  19. Maturation of embryonic tissues in a lymph node: a new approach for bioengineering complex organs.

    Science.gov (United States)

    Francipane, Maria Giovanna; Lagasse, Eric

    2014-01-01

    Given our recent finding that the lymph node (LN) can serve as an in vivo factory to generate complex structures like liver, pancreas, and thymus, we investigated whether LN could also support early development and maturation from several mid-embryonic (E14.5/15.5) mouse tissues including brain, thymus, lung, stomach, and intestine. Here we observed brain maturation in LN by showing the emergence of astrocytes with well-developed branching processes. Thymus maturation in LN was monitored by changes in host immune cells. Finally, newly terminally differentiated mucus-producing cells were identified in ectopic tissues generated by transplantation of lung, stomach and intestine in LN. Thus, we speculate the LN offers a unique approach to study the intrinsic and extrinsic differentiation potential of cells and tissues during early development, and provides a new site for bioengineering complex body parts.

  20. A complex network approach to robustness and vulnerability of spatially organized water distribution networks

    CERN Document Server

    Yazdani, A

    2010-01-01

    In this work, water distribution systems are regarded as large sparse planar graphs with complex network characteristics and the relationship between important topological features of the network (i.e. structural robustness and loop redundancy) and system resilience, viewed as the antonym to structural vulnerability, are assessed. Deterministic techniques from complex networks and spectral graph theory are utilized to quantify well-connectedness and estimate loop redundancy in the studied benchmark networks. By using graph connectivity and expansion properties, system robustness against node/link failures and isolation of the demand nodes from the source(s) are assessed and network tolerance against random failures and targeted attacks on their bridges and cut sets are analyzed. Among other measurements, two metrics of meshed-ness and algebraic connectivity are proposed as candidates for quantification of redundancy and robustness, respectively, in optimization design models. A brief discussion on the scope a...

  1. Significant portion of dissolved organic Fe complexes in fact is Fe colloids

    NARCIS (Netherlands)

    Boye, Marie; Nishioka, Jun; Croot, Peter; Laan, Patrick; Timmermans, Klaas R.; Strass, Volker H.; Takeda, Shigenobu; Baar, Hein J.W. de

    2010-01-01

    Vertical distributions of iron and iron binding ligands were determined in 2 size classes (dissolved < 0.2 μm, soluble < 200 kDa, e.g., ~ 0.03 μm) in the Southern Ocean. Colloidal iron and complexing capacity (> 200 kDa–< 0.2 μm) were inferred as the difference between the dissolved and soluble frac

  2. Light-harvesting complex II (LHCII) and its supramolecular organization in Chlamydomonas reinhardtii.

    Science.gov (United States)

    Drop, Bartlomiej; Webber-Birungi, Mariam; Yadav, Sathish K N; Filipowicz-Szymanska, Alicja; Fusetti, Fabrizia; Boekema, Egbert J; Croce, Roberta

    2014-01-01

    LHCII is the most abundant membrane protein on earth. It participates in the first steps of photosynthesis by harvesting sunlight and transferring excitation energy to the core complex. Here we have analyzed the LHCII complex of the green alga Chlamydomonas reinhardtii and its association with the core of Photosystem II (PSII) to form multiprotein complexes. Several PSII supercomplexes with different antenna sizes have been purified, the largest of which contains three LHCII trimers (named S, M and N) per monomeric core. A projection map at a 13Å resolution was obtained allowing the reconstruction of the 3D structure of the supercomplex. The position and orientation of the S trimer are the same as in plants; trimer M is rotated by 45° and the additional trimer (named here as LHCII-N), which is taking the position occupied in plants by CP24, is directly associated with the core. The analysis of supercomplexes with different antenna sizes suggests that LhcbM1, LhcbM2/7 and LhcbM3 are the major components of the trimers in the PSII supercomplex, while LhcbM5 is part of the "extra" LHCII pool not directly associated with the supercomplex. It is also shown that Chlamydomonas LHCII has a slightly lower Chlorophyll a/b ratio than the complex from plants and a blue shifted absorption spectrum. Finally the data indicate that there are at least six LHCII trimers per dimeric core in the thylakoid membranes, meaning that the antenna size of PSII of C. reinhardtii is larger than that of plants.

  3. Modeling organic aerosols in a megacity: comparison of simple and complex representations of the volatility basis set approach

    Directory of Open Access Journals (Sweden)

    M. Shrivastava

    2011-07-01

    Full Text Available The Weather Research and Forecasting model coupled with chemistry (WRF-Chem is modified to include a volatility basis set (VBS treatment of secondary organic aerosol formation. The VBS approach, coupled with SAPRC-99 gas-phase chemistry mechanism, is used to model gas-particle partitioning and multiple generations of gas-phase oxidation of organic vapors. In addition to the detailed 9-species VBS, a simplified mechanism using 2 volatility species (2-species VBS is developed and tested for similarity to the 9-species VBS in terms of both mass and oxygen-to-carbon ratios of organic aerosols in the atmosphere. WRF-Chem results are evaluated against field measurements of organic aerosols collected during the MILAGRO 2006 campaign in the vicinity of Mexico City. The simplified 2-species mechanism reduces the computational cost by a factor of 2 as compared to 9-species VBS. Both ground site and aircraft measurements suggest that the 9-species and 2-species VBS predictions of total organic aerosol mass as well as individual organic aerosol components including primary, secondary, and biomass burning are comparable in magnitude. In addition, oxygen-to-carbon ratio predictions from both approaches agree within 25 %, providing evidence that the 2-species VBS is well suited to represent the complex evolution of organic aerosols. Model sensitivity to amount of anthropogenic semi-volatile and intermediate volatility (S/IVOC precursor emissions is also examined by doubling the default emissions. Both the emission cases significantly under-predict primary organic aerosols in the city center and along aircraft flight transects. Secondary organic aerosols are predicted reasonably well along flight tracks surrounding the city, but are consistently over-predicted downwind of the city. Also, oxygen-to-carbon ratio predictions are significantly improved compared to prior studies by adding 15 % oxygen mass per generation of oxidation; however, all modeling cases

  4. Amblypygids: Model Organisms for the Study of Arthropod Navigation Mechanisms in Complex Environments?

    Directory of Open Access Journals (Sweden)

    Daniel D Wiegmann

    2016-03-01

    Full Text Available Navigation is an ideal behavioral model for the study of sensory system integration and the neural substrates associated with complex behavior. For this broader purpose, however, it may be profitable to develop new model systems that are both tractable and sufficiently complex to ensure that information derived from a single sensory modality and path integration are inadequate to locate a goal. Here, we discuss some recent discoveries related to navigation by amblypygids, nocturnal arachnids that inhabit the tropics and sub-tropics. Nocturnal displacement experiments under the cover of a tropical rainforest reveal that these animals possess navigational abilities that are reminiscent, albeit on a smaller spatial scale, of true-navigating vertebrates. Specialized legs, called antenniform legs, which possess hundreds of olfactory and tactile sensory hairs, and vision appear to be involved. These animals also have enormous mushroom bodies, higher-order brain regions that, in insects, integrate contextual cues and may be involved in spatial memory. In amblypygids, the complexity of a nocturnal rainforest may impose navigational challenges that favor the integration of information derived from multimodal cues. Moreover, the movement of these animals is easily studied in the laboratory and putative neural integration sites of sensory information can be manipulated. Thus, amblypygids could serve as a model system for the discovery of neural substrates associated with a unique and potentially sophisticated navigational capability. The diversity of habitats in which amblypygids are found also offers an opportunity for comparative studies of sensory integration and ecological selection pressures on navigation mechanisms.

  5. Synthesis and catalytic activity of metallo-organic complexes bearing 5-amino 2-ethylpyridine -2-carboximidate

    Indian Academy of Sciences (India)

    LUO MEI; XU JIA; ZHANG JING CHENG

    2016-06-01

    A series of copper, cobalt, nickel and manganese complexes were synthesized and characterized. Reaction of 5-amino-2-cyanopyridine with $ MCl_{2}$·x$H_{2}O$ (M: $Cu^{2+}$, $Co^{2+}$, $Ni^{2+}$, $Mn^{2+})$ in anhydrous ethanol resulted in the formation of four complexes $[NH_{2}EtPyCuCl_{2}(CH_{3}OH)].H_{2}O 1$, $[(NH_{2}EtPyHCl)_{3}Co]$$(Cl)_{3}.3H_{2}O 2$, $[(NH_{2}EtPy)_{2}$ 2$(H_{2}O)Ni]$ $(Cl_{2})$ 3, and $[(NH_{2}EtPy)_{2}$ 2$(H_{2}O)$ Mn]$(Cl_{2})$ 4 $[NH_{2} EtPy=5-amino-oethylpyridine-2-carboximidate], respectively. The structures of these compounds were determined by X-raydiffraction, NMR and IR spectroscopy, and elemental analysis. Each complex was then used as a catalyst in the Henry reaction, and its catalytic activity was determined by 1H NMR. Good catalytic effects were achieved (69–87%).

  6. The Hydrodynamic Distinctiveness of Living Organisms: Communication in Complex Hydraulic Environments

    Science.gov (United States)

    Johnson, M.

    2015-12-01

    Animals make decisions about the suitability of habitat and their reaction to other organisms based on the sensory information that they first obtain. This information is transmitted, masked and filtered by fluvial processes, such as turbulent flow. Despite governing how animals interact with the environment, limited attention has been paid to the controls on the propagation of sensory signals through rivers. Some animals interpret hydraulic events and use the characteristics of wakes to sense the presence of other organisms. This implies that at least some animals can differentiate turbulent flow generated by the presence of living organisms from ambient environmental turbulence. We investigate whether there are specific flow characteristics, distinct from the ambient environment, that potentially flag the presence of organisms to other animals. ADV and PIV measurements in a series of laboratory flume experiments quantified the flow around living Signal Crayfish (Pacifastacus leniusculus) and two inanimate objects of equivalent shape and size. Experiments were repeated across a gradient of turbulence intensities generated over nine combinations of flow velocity and relative submergence. Flows downstream of living crayfish were distinct from inanimate objects, with greater turbulent intensities, higher energy in low- to intermediate frequencies, and flow structures that were less coherent in comparison to those measured downstream of inanimate objects. However, the hydrodynamic signature of crayfish became masked as the intensity of ambient turbulence exceeded that generated by living crayfish. These results demonstrate the importance of the fluvial processes in the transmission of sensory information and suggest that the ability of animals to perceive hydraulic signatures is likely to be limited in many situations in rivers. Thus, animals may need to rely on other senses, such as sight or hearing, especially where depth is shallow relative to grain size.

  7. Characterizing the Chemical Complexity of Semi-Volatile Organic Compounds from Biomass Burning in Amazonia

    Science.gov (United States)

    Wernis, R. A.; Yee, L.; Isaacman-VanWertz, G. A.; Kreisberg, N. M.; de Sá, S. S.; Liu, Y.; Martin, S. T.; Alexander, L.; Palm, B. B.; Hu, W.; Campuzano Jost, P.; Day, D. A.; Jimenez, J. L.; Artaxo, P.; Viegas, J.; Manzi, A. O.; Souza, R. A. F. D.; Hering, S. V.; Goldstein, A. H.

    2015-12-01

    Aerosols are a source of great uncertainty in radiative forcing predictions and have poorly understood impacts on human health. In many environments, biomass burning contributes a significant source of primary aerosol as well as reactive gas-phase precursors that can form secondary organic aerosol (SOA). One class of these precursors, semi-volatile organic compounds (SVOCs), has been shown to have a large contribution to the amount of SOA formed from fire emissions. At present, SVOC emissions from biomass burning are poorly constrained and understanding their contributions to SOA formation is an important research challenge. In the Amazonian dry season, biomass burning is a major source of gases and aerosols reducing regional air quality. As part of the GoAmazon 2014/5 field campaign, we deployed the Semi-Volatile Thermal desorption Aerosol Gas Chromatograph (SV-TAG) instrument at the rural T3 site, 60 km to the west of Manaus, Brazil to measure hourly concentrations of SVOCs in the gas and particle phases. This comprehensive technique detects thousands of compounds, enabling the discovery of previously unidentified compounds. In this work we explore compounds for which a correlation with well-known biomass burning tracers is observed to discover the identities of new tracers. We discuss contributions to the total organic aerosol from well-known, rarely reported and newly-identified biomass burning tracers. We find that levoglucosan, perhaps the most commonly used particle phase biomass burning tracer, contributed 0.6% and 0.3% of total organic aerosol in the dry and wet seasons, respectively.

  8. Photochemistry of organic iron(III) complexing ligands in oceanic systems.

    Science.gov (United States)

    Barbeau, Katherine

    2006-01-01

    Iron is a limiting nutrient for primary production in marine systems, and photochemical processes play a significant role in the upper ocean biogeochemical cycling of this key element. In recent years, progress has been made toward understanding the role of biologically produced organic ligands in controlling the speciation and photochemical redox cycling of iron in ocean surface waters. Most (>99%) of the dissolved iron in seawater is now known to be associated with strong organic ligands. New data concerning the structure and photochemical reactivity of strong Fe(III) binding ligands (siderophores) produced by pelagic marine bacteria suggest that direct photolysis via ligand-to-metal charge transfer reactions may be an important mechanism for the production of reduced, biologically available iron (Fe[II]) in surface waters. Questions remain, however, about the importance of these processes relative to secondary photochemical reactions with photochemically produced radical species, such as superoxide (O2-). The mechanism of superoxide-mediated reduction of Fe(III) in the presence of strong Fe(III) organic ligands is also open to debate. This review highlights recent findings, including both model ligand studies and experimentallobservational studies of the natural seawater ligand pool.

  9. Complex-forming organic ligands in cloud-point extraction of metal ions: a review.

    Science.gov (United States)

    Pytlakowska, K; Kozik, V; Dabioch, M

    2013-06-15

    Cloud-point extraction (CPE), an easy, safe, environmentally friendly, rapid and inexpensive methodology for preconcentration and separation of trace metals from aqueous solutions has recently become an attractive area of research and an alternative to liquid-liquid extraction. Moreover, it provides results comparable to those obtained with other separation techniques and has a greater potential to be explored in improving detection limits and other analytical characteristics over other methods. A few reviews have been published covering different aspects of the CPE procedure and its relevant applications, such as the phenomenon of clouding, the application in the extraction of trace inorganic and organic materials, as well as pesticides and protein substrates from different sources, or incorporation of CPE into an FIA system. This review focuses on general properties of the most frequently used organic ligands in cloud-point extraction and on literature data (from 2000 to 2012) concerning the use of modern techniques in determination of metal ions' content in various materials. The article is divided according to the class of organic ligands to be used in CPE.

  10. Immunoglobulin heavy chain gene organization and complexity in the skate, Raja erinacea.

    Science.gov (United States)

    Harding, F A; Cohen, N; Litman, G W

    1990-02-25

    Immunoglobulin heavy chain genes from Raja erinacea have been isolated by cross hybridization with probes derived from the immunoglobulin genes of Heterodontus francisci (horned shark), a representative of a different elasmobranch order. Heavy chain variable (VH), diversity (DH) and joining (JH) segments are linked closely to constant region (CH) exons, as has been described in another elasmobranch. The nucleotide sequence homology of VH gene segments within Raja and between different elasmobranch species is high, suggesting that members of this phylogenetic subclass may share one VH family. The organization of immunoglobulin genes segments is diverse; both VD-J and VD-DJ joined genes have been detected in the genome of non-lymphoid cells. JH segment sequence diversity is high, in contrast to that seen in a related elasmobranch. These data suggest that the clustered V-D-J-C form of immunoglobulin heavy chain organization, including germline joined components, may occur in all subclasses of elasmobranchs. While variation in VH gene structure is limited, gene organization appears to be diverse.

  11. Lock-arm supramolecular ordering: a molecular construction set for cocrystallizing organic charge transfer complexes.

    Science.gov (United States)

    Blackburn, Anthea K; Sue, Andrew C-H; Shveyd, Alexander K; Cao, Dennis; Tayi, Alok; Narayanan, Ashwin; Rolczynski, Brian S; Szarko, Jodi M; Bozdemir, Ozgur A; Wakabayashi, Rie; Lehrman, Jessica A; Kahr, Bart; Chen, Lin X; Nassar, Majed S; Stupp, Samuel I; Stoddart, J Fraser

    2014-12-10

    Organic charge transfer cocrystals are inexpensive, modular, and solution-processable materials that are able, in some instances, to exhibit properties such as optical nonlinearity, (semi)conductivity, ferroelectricity, and magnetism. Although the properties of these cocrystals have been investigated for decades, the principal challenge that researchers face currently is to devise an efficient approach which allows for the growth of high-quality crystalline materials, in anticipation of a host of different technological applications. The research reported here introduces an innovative design, termed LASO-lock-arm supramolecular ordering-in the form of a modular approach for the development of responsive organic cocrystals. The strategy relies on the use of aromatic electronic donor and acceptor building blocks, carrying complementary rigid and flexible arms, capable of forming hydrogen bonds to amplify the cocrystallization processes. The cooperativity of charge transfer and hydrogen-bonding interactions between the building blocks leads to binary cocrystals that have alternating donors and acceptors extending in one and two dimensions sustained by an intricate network of hydrogen bonds. A variety of air-stable, mechanically robust, centimeter-long, organic charge transfer cocrystals have been grown by liquid-liquid diffusion under ambient conditions inside 72 h. These cocrystals are of considerable interest because of their remarkable size and stability and the promise they hold when it comes to fabricating the next generation of innovative electronic and photonic devices.

  12. Improvement of complex therapy of patients with pathology of scrotal organs formed by chronic brucellosis infection

    Directory of Open Access Journals (Sweden)

    Glybochko Р. V.

    2013-06-01

    Full Text Available The aim of the study is to improve the treatment of patients with male reproductive organs pathology, formed by chronic brucellosis infection. Material and methods: We have analyzed the dynamics of the clinical manifestations of diseases of the scrotal organs, data of physical and ultrasound studies, semen parameters, the quality of life in 22 patients with chronic brucellosis and the presence of orchitis / orchiepididymitis against conventional therapy (10 patients, and combined treatment with the inclusion of cycloferon (i/m, 2 injection rate from 5 (0.25g with a break 10 days — 12. Results: We have proved ability of cycloferon to reduce the severity of the inflammatory process in the testis and epididymis, with improving of spermatogenesis and the quality of life for patients. We have marked the reduction in the number of exacerbations of chronic orchitis / orchiepididymitis 2.4 times after the course of cycloferon, its good tolerability of patients, no side effects. Conclusion: Using these results, the presence of anti-inflammatory and immunomodulatory potencies, cycloferon can be recommended in treatment of inflammatory lesions of the scrotal organs in patients with chronic brucellosis.

  13. On modeling complex interplay in small-scale self-organized socio-hydrological systems

    Science.gov (United States)

    Muneepeerakul, Rachata

    2017-04-01

    Successful and sustainable socio-hydrological systems, as in any coupled natural human-systems, require effective governance, which depends on the existence of proper infrastructure (both hard and soft). Recent work has addressed systems in which resource users and the organization responsible for maintaining the infrastructure are separate entities. However, many socio-hydrological systems, especially in developing countries, are small and without such formal division of labor; rather, such division of labor typically arises from self-organization within the population. In this work, we modify and mathematically operationalize a conceptual framework by developing a system of differential equations that capture the strategic behavior within such a self-organized population, its interplay with infrastructure characteristics and hydrological dynamics, and feedbacks between these elements. The model yields a number of insightful conditions related to long-term sustainability and collapse of the socio-hydrological system in the form of relationships between biophysical and social factors. These relationships encapsulate nonlinear interactions of these factors. The modeling framework is grounded in a solid conceptual foundation upon which additional modifications and realism can be built for potential reconciliation between socio-hydrology with other related fields and further applications.

  14. The complex tale of the achaete-scute complex: a paradigmatic case in the analysis of gene organization and function during development.

    Science.gov (United States)

    García-Bellido, Antonio; de Celis, Jose F

    2009-07-01

    The achaete-scute gene complex (AS-C) contains four genes encoding transcription factors of the bHLH family, achaete, scute, lethal of scute, and asense located in 40 kb of DNA containing multiple cis-regulatory position-specific enhancers. These genes play a key role in the commitment of epidermal cells toward a neural fate, promoting the formation of both sensory organs in the peripheral nervous system (bristles) of the adult and of neuroblasts in the central nervous system of the embryo. The analysis of the AS-C initially focused on the variations in positional specificity of effects of achaete (ac) and scute (sc) alleles on macrochaete bristle pattern in the Drosophila adult epidermis, and from there it evolved as a key entry point into understanding the molecular bases of pattern formation and cell commitment. In this perspective, we describe how the study of the AS-C has contributed to the understanding of eukaryotic gene organization and the dissection of the developmental mechanisms underlying pattern formation.

  15. Structural organization and spectroscopy of peptide-actinide(IV) complexes; Organisation structurale et spectroscopie de peptides susceptibles de complexer les actinides(IV)

    Energy Technology Data Exchange (ETDEWEB)

    Dahou, S.

    2010-11-05

    The contamination of living organisms by actinide elements is at the origin of both radiological and chemical toxicity that may lead to severe dysfunction. Most of the data available on the actinide interaction with biological systems are macroscopic physiological measurements and are lacking a molecular description of the systems. Because of the intricacy of these systems, classical biochemical methods are difficult to implement. Our strategy consisted in designing simplified biomimetic peptides, and describing the corresponding intramolecular interactions with actinides. A carboxylic pentapeptide of the form DDPDD has been at the starting point of this work in order to further assess the influence of the peptide sequence on the topology of the complexes.To do so, various linear (Asp/Ala permutations, peptoids) and cyclic analogues have been synthesized. Furthermore, in order to include the hydroxamic function (with a high affinity for Fe(III)) in the peptide, both desferrioxamine and acetohydroxamic acid have been investigated. However because of difficulties in synthesis, we have not been able to test these peptides. Three actinide cations have been considered at oxidation state +IV (Th, Np, Pu) and compared to Fe(III), often considered as a biological surrogate of Pu(IV). The spatial arrangement of the peptide around the cation has been probed by spectrophotometry and X-ray Absorption Spectroscopy. The spectroscopic data and EXAFS data adjustment lead us to rationalize the topology of the complexes as a function of the peptide sequence: mix hydroxy polynuclear species for linear and cyclic peptides, mononuclear for the desferrioxamine complexes. Furthermore, significant differences have appeared between Fe(III) and actinide(IV), related to differences of reactivity in aqueous medium. (author)

  16. Contribution of ankyrin-band 3 complexes to the organization and mechanical properties of the membrane skeleton of human erythrocyte

    Energy Technology Data Exchange (ETDEWEB)

    Shen, B.W. [Argonne National Lab., IL (United States). Biological and Medical Research Div.

    1995-02-01

    To understand the role of ankyrin-band 3 complexes in the organization of the spectrin-based membrane skeleton and its contribution to the mechanical properties of human erythrocytes, intact skeletons and single-layered skeleton leaflets were prepared from intact and physically sheared membrane ghosts, expanded in low salt buffer, and examined by transmission electron microscopy. While the structures of intact skeletons and single-layered skeleton leaflets shared many common features, including rigid junctional complexes of spectrin, actin, and band 4.1; short stretches ({approximately}50 {angstrom}) of flexible spectrin filaments; and globular masses of ankyrin-band 3 complexes situated close to the middle of the spectrin filaments, the definition of structural units in the intact skeleton is obscured by the superposition of the two layers. However, the spatial disposition of structural elements can be clearly defined in the images of the single-layered skeleton leaflets. Partially expanded skeletal leaflets contain conglomerates of ankyrin-band 3 complexes arranged in a circular or clove-leaf configuration that straddles multiple strands of thick spectrin cables, presumably reflecting the association of ankyrin-band 3 complexes on neighboring spectrin tetramers as well as the lateral association of the spectrin filaments. Hyperexpansion of the skeleton leaflets led to dissociation of the conglomerates of ankyrin-band 3 complexes, full-extension of the spectrin tetramers, and separation of the individual strands of spectrin tetramers. Clearly defined stands of spectrin tetramers in the hyperexpanded single-layered skeletal leaflets often contained two sets of globular protein masses that divided the spectrin tetramers into three segments of approximately equal length.

  17. Detecting Complex Organic Compounds Using the SAM Wet Chemistry Experiment on Mars

    Science.gov (United States)

    Freissinet, C.; Buch, A.; Glavin, D. P.; Brault, A.; Eigenbrode, J. L.; Kashyap, S.; Martin, M. G.; Miller, K.; Mahaffy, P. R.; Team, M.

    2013-12-01

    The search for organic molecules on Mars can provide important first clues of abiotic chemistry and/or extinct or extant biota on the planet. Gas Chromatography Mass Spectrometry (GC-MS) is currently the most relevant space-compatible analytical tool for the detection of organic compounds. Nevertheless, GC separation is intrinsically restricted to volatile molecules, and many molecules of astrobiological interest are chromatographically refractory or polar. To analyze these organics such as amino acids, nucleobases and carboxylic acids in the Martian regolith, an additional derivatization step is required to transform them into volatile derivatives that are amenable to GC analysis. As part of the Sample Analysis at Mars (SAM) experiment onboard Mars Science Laboratory (MSL) Curiosity rover, a single-step protocol of extraction and chemical derivatization with the silylating reagent N-methyl-N-(tert-butyldimethylsilyl)-trifluoroacetamide (MTBSTFA) has been developed to reach a wide range of astrobiology-relevant refractory organic molecules (Mahaffy et al. 2012; Stalport et al. 2012). Seven cups in the SAM instrument are devoted to MTBSTFA derivatization. However, this chemical reaction adds a protective silyl group in place of each labile hydrogen, which makes the molecule non-identifiable in common mass spectra libraries. Therefore, we have created an extended library of mass spectra of MTBSTFA derivatized compounds of interest, considering their potential occurrence in Mars soils. We then looked specifically for MTBSTFA derivatized compounds using the existing and the newly created library, in various Mars analog soils. To enable a more accurate interpretation of the in situ derivatization GC-MS results that will be obtained by SAM, the lab experiments were performed as close as possible to the SAM flight instrument experimental conditions. Our first derivatization experiments display promising results, the laboratory system permitting an extraction and detection

  18. Complex mixture analysis of organic compounds in green coffee bean extract by two-dimensional NMR spectroscopy.

    Science.gov (United States)

    Wei, Feifei; Furihata, Kazuo; Hu, Fangyu; Miyakawa, Takuya; Tanokura, Masaru

    2010-11-01

    A complex mixture analysis by one- and two-dimensional nuclear magnetic resonance (NMR) spectroscopy was carried out for the first time for the identification and quantification of organic compounds in green coffee bean extract (GCBE). A combination of (1)H-(1)H DQF-COSY, (1)H-(13)C HSQC, and (1)H-(13)C CT-HMBC two-dimensional sequences was used, and 16 compounds were identified. In particular, three isomers of caffeoylquinic acid were identified in the complex mixture without any separation. In addition, GCBE components were quantified by the integration of carbon signals by use of a relaxation reagent and an inverse-gated decoupling method without a nuclear Overhauser effect. This NMR methodology provides detailed information about the kinds and amounts of GCBE components, and in our study, the chemical makeup of GCBE was clarified by the NMR results. 2010 John Wiley & Sons, Ltd.

  19. The (oxalato)aluminate complex as an antimicrobial substance protecting the "shiro" of Tricholoma matsutake from soil micro-organisms.

    Science.gov (United States)

    Nishino, Katsutoshi; Shiro, Misao; Okura, Ryuki; Oizumi, Kazuya; Fujita, Toru; Sasamori, Takahiro; Tokitoh, Norihiro; Yamada, Akiyoshi; Tanaka, Chihiro; Yamaguchi, Muneyoshi; Hiradate, Syuntaro; Hirai, Nobuhiro

    2017-01-01

    Tricholoma matsutake, a basidiomycete, forms ectomycorrhizas with Pinus densiflora as the host tree. Its fruiting body, "matsutake" in Japanese, is an edible and highly prized mushroom, and it grows in a circle called a fairy ring. Beneath the fairy ring of T. matsutake, a whitish mycelium-soil aggregated zone, called "shiro" in Japanese, develops. The front of the shiro, an active mycorrhizal zone, functions to gather nutrients from the soil and roots to nourish the fairy ring. Bacteria and sporulating fungi decrease from the shiro front, whereas they increase inside and outside the shiro front. Ohara demonstrated that the shiro front exhibited antimicrobial activity, but the antimicrobial substance has remained unidentified for 50 years. We have identified the antimicrobial substance as the (oxalato)aluminate complex, known as a reaction product of oxalic acid and aluminum phosphate to release soluble phosphorus. The complex protects the shiro from micro-organisms, and contributes to its development.

  20. Microbial adhesion and biofilm formation on microfiltration membranes: a detailed characterization using model organisms with increasing complexity.

    Science.gov (United States)

    Vanysacker, L; Denis, C; Declerck, P; Piasecka, A; Vankelecom, I F J

    2013-01-01

    Since many years, membrane biofouling has been described as the Achilles heel of membrane fouling. In the present study, an ecological assay was performed using model systems with increasing complexity: a monospecies assay using Pseudomonas aeruginosa or Escherichia coli separately, a duospecies assay using both microorganisms, and a multispecies assay using activated sludge with or without spiked P. aeruginosa. The microbial adhesion and biofilm formation were evaluated in terms of bacterial cell densities, species richness, and bacterial community composition on polyvinyldifluoride, polyethylene, and polysulfone membranes. The data show that biofouling formation was strongly influenced by the kind of microorganism, the interactions between the organisms, and the changes in environmental conditions whereas the membrane effect was less important. The findings obtained in this study suggest that more knowledge in species composition and microbial interactions is needed in order to understand the complex biofouling process. This is the first report describing the microbial interactions with a membrane during the biofouling development.

  1. The first one-pot synthesis of metal-organic frameworks functionalised with two transition-metal complexes.

    Science.gov (United States)

    Platero-Prats, Ana E; Bermejo Gómez, Antonio; Samain, Louise; Zou, Xiaodong; Martín-Matute, Belén

    2015-01-07

    The synthesis of a metal-organic framework (UiO-67) functionalised simultaneously with two different transition metal complexes (Ir and Pd or Rh) through a one-pot procedure is reported for the first time. This has been achieved by an iterative modification of the synthesis parameters combined with characterisation of the resulting materials using different techniques, including X-ray absorption spectroscopy (XAS). The method also allows the first synthesis of UiO-67 with a very wide range of loadings (from 4 to 43 mol %) of an iridium complex ([IrCp*(bpydc)(Cl)Cl](2-) ; bpydc=2,2'-bipyridine-5,5'-dicarboxylate, Cp*=pentamethylcyclopentadienyl) through a pre-functionalisation methodology. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Immobilizing Molecular Metal Dithiolene-Diamine Complexes on 2D Metal-Organic Frameworks for Electrocatalytic H2 Production.

    Science.gov (United States)

    Dong, Renhao; Zheng, Zhikun; Tranca, Diana C; Zhang, Jian; Chandrasekhar, Naisa; Liu, Shaohua; Zhuang, Xiaodong; Seifert, Gotthard; Feng, Xinliang

    2017-02-16

    Carbon electrocatalysts consisting of metal complexes such as MNx or MSx are promising alternatives to high-cost Pt catalysts for the hydrogen evolution reaction (HER). However, the exact HER active sites remain elusive. Here, molecular metal dithiolene-diamine (MS2 N2 , M=Co and Ni), metal bis(dithiolene) (MS4 ), and metal bis(diamine) (MN4 ) complexes were selectively incorporated into carbon-rich 2D metal-organic frameworks (2D MOFs) as model carbon electrocatalysts. The 2D MOF single layers, powders, and composites with graphene were thus prepared and showed definite active sites for H2 generation. The electrocatalytic HER activity of the 2D MOF-based catalysts with different metal complexes follow the order of MS2 N2 >MN4 >MS4 . Moreover, the protonation preferentially occurred on the metal atoms, and the concomitant heterolytic elimination of H2 was favored on the M-N units in the MS2 N2 active centers. The results provide an in-depth understanding of the catalytic active sites, thus making way for the future development of metal complexes in carbon-rich electrode materials for energy generation. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Complexation with dissolved organic matter and mobility control of heavy metals in the rhizosphere of hyperaccumulator Sedum alfredii.

    Science.gov (United States)

    Li, Tingqiang; Tao, Qi; Liang, Chengfeng; Shohag, M J I; Yang, Xiaoe; Sparks, Donald L

    2013-11-01

    The complexation of Zn, Cd and Pb with dissolved organic matter (DOM) in the rhizosphere of hyperaccumulating ecotype (HE) and a non-hyperaccumulating ecotype (NHE) of Sedum alfredii was measured using resin equilibration method. After the growth of HE S. alfredii, the rhizosphere soil pH was reduced by 0.27-0.33 units, due to enhanced DOM derived from root exudation. For both ecotypes of S. alfredii, the fraction of free metal as a percentage of soluble metal varied from 22.1 to 42.5% for Zn(2+), from 8.1 to 15.5% for Cd(2+), and from 4.5 to 10.4% for Pb(2+). Resin equilibration experiment results indicated that HE-DOM had greater ability to form complexes with Zn, Cd and Pb than NHE-DOM, Visual MINTEQ model gave excellent predictions of the complexation of Zn and Cd by DOM (R(2) > 0.97). DOM in the rhizosphere of HE S. alfredii could significantly increase metal mobility through the formation of soluble DOM-metal complexes.

  4. Temperature dependent electrical characteristics of an organic-inorganic heterojunction obtained from a novel organometal Mn complex

    Energy Technology Data Exchange (ETDEWEB)

    Ocak, Y.S., E-mail: yusufselim@gmail.co [Department of Science, Faculty of Education, University of Dicle, Diyarbakir (Turkey); Ebeoglu, M.A. [Department of Electrical and Electronics Engineering, Faculty of Engineering, University of Dumlupinar, Kutahya (Turkey); Topal, G. [Department of Chemistry, Faculty of Education, University of Dicle, Diyarbakir (Turkey); Kilicoglu, T., E-mail: tahsin@dicle.edu.t [Department of Physics, Faculty of Art and Science, University of Dicle, Diyarbakir (Turkey); Department of Physics, Faculty of Art and Science, University of Batman, Batman (Turkey)

    2010-05-01

    This study includes synthesizing a Mn hexaamide (MnHA) organometal compound (C{sub 27}H{sub 21}N{sub 9}O{sub 6}MnCl{sub 2}).(1/2H{sub 2}O), fabrication of MnHA/n-Si organic-inorganic heterojunction and analysis of conduction mechanism of the device over the room temperature. After synthesizing the molecule, the structure of the compound was determined using spectroscopic methods. The Sn/MnHA/n-Si structure was constructed by forming a thin MnHA layer on n-Si inorganic semiconductor and evaporating Sn metal on organic complex. The structure has shown good rectifying behavior and obeys the thermionic emission theory. The current-voltage (I-V) characteristics of the diode have been measured at temperatures ranging from 300 to 380 K at 10 K intervals to determine the temperature dependent electrical characteristics of the device.

  5. Small organic compounds enhance antigen loading of class II major histocompatibility complex proteins by targeting the polymorphic P1 pocket

    DEFF Research Database (Denmark)

    Höpner, Sabine; Dickhaut, Katharina; Hofstätter, Maria

    2006-01-01

    Major histocompatibility complex (MHC) molecules are a key element of the cellular immune response. Encoded by the MHC they are a family of highly polymorphic peptide receptors presenting peptide antigens for the surveillance by T cells. We have shown that certain organic compounds can amplify...... immune responses by catalyzing the peptide loading of human class II MHC molecules HLA-DR. Here we show now that they achieve this by interacting with a defined binding site of the HLA-DR peptide receptor. Screening of a compound library revealed a set of adamantane derivatives that strongly accelerated......, transient occupation of this pocket by the organic compound stabilizes the peptide-receptive conformation permitting rapid antigen loading. This interaction appeared restricted to the larger Gly(beta86) pocket and allowed striking enhancements of T cell responses for antigens presented by these "adamantyl...

  6. Thermochemolysis: A New Sample Preparation Approach for the Detection of Organic Components of Complex Macromolecules in Mars Rocks via Gas Chromatography Mass Spectrometry in SAM on MSL

    Science.gov (United States)

    Eugenbrode, J.; Glavin, D.; Dworkin, J.; Conrad, P.; Mahaffy, P.

    2011-01-01

    Organic chemicals, when present in extraterrestrial samples, afford precious insight into past and modern conditions elsewhere in the Solar System . No single technology identifies all molecular components because naturally occurring molecules have different chemistries (e.g., polar vs. non-polar, low to high molecular weight) and interface with the ambient sample chemistry in a variety of modes (i.e., organics may be bonded, absorbed or trapped by minerals, liquids, gases, or other organics). More than 90% of organic matter in most natural samples on Earth and in meteorites is composed of complex macromolecules (e.g. biopolymers, complex biomolecules, humic substances, kerogen) because the processes that tend to break down organic molecules also tend towards complexation of the more recalcitrant components. Thus, methodologies that tap the molecular information contained within macromolecules may be critical to detecting extraterrestrial organic matter and assessing the sources and processes influencing its nature.

  7. Luminescent hybrid materials based on (8-hydroxyquinoline)-substituted metal-organic complexes and lead-borate glasses

    Science.gov (United States)

    Petrova, Olga B.; Anurova, Maria O.; Akkuzina, Alina A.; Saifutyarov, Rasim R.; Ermolaeva, Ekaterina V.; Avetisov, Roman I.; Khomyakov, Andrew V.; Taydakov, Ilya V.; Avetissov, Igor Ch.

    2017-07-01

    Novel luminescent organic-inorganic hybrid materials based on 8-hydroxyquinoline metal complexes (Liq, Kq, Naq, Rbq, Mgq2, Srq2, Znq2, Scq3, Alq3, Gaq3, and Inq3) have been synthesized by a high temperature exchange reaction with 80PbF2-20B2O3 inorganic low-melting glass. The mechanical and optical properties, transmission spectra, emission an excitation photoluminescence, and luminescence kinetic of hybrid materials were studied. All hybrid materials showed a wide luminescence band in the range 400-700 nm.

  8. A sensing mechanism for the detection of carbon nanotubes using selective photoluminescent probes based on ionic complexes with organic dyes

    Institute of Scientific and Technical Information of China (English)

    Petro Lutsyk; Raz Arif; Jan Hruby; Anatolii Bukivskyi; Olexander Vinijchuk; Mykola Shandura; Viktor Yakubovskyi

    2016-01-01

    The multifunctional properties of carbon nanotubes (CNTs) make them a powerful platform for unprecedented innovations in a variety of practical applications.As a result of the surging growth of nanotechnology,nanotubes present a potential problem as an environmental pollutant,and as such,an efficient method for their rapid detection must be established.Here,we propose a novel type of ionic sensor complex for detecting CNTs-an organic dye that responds sensitively and selectively to CNTs with a photoluminescent signal.The complexes are formed through Coulomb attractions between dye molecules with uncompensated charges and CNTs covered with an ionic surfactant in water.We demonstrate that the photoluminescent excitation of the dye can be transferred to the nanotubes,resulting in selective and strong amplification (up to a factor of 6) of the light emission from the excitonic levels of CNTs in the near-infrared spectral range,as experimentally observed via excitation-emission photoluminescence (PL) mapping.The chirality of the nanotubes and the type of ionic surfactant used to disperse the nanotubes both strongly affect the amplification;thus,the complexation provides sensing selectivity towards specific CNTs.Additionally,neither similar uncharged dyes nor CNTs covered with neutral surfactant form such complexes.As model organic molecules,we use a family of pelymethine dyes with an easily tailorable molecular structure and,consequently,tunable absorbance and PL characteristics.This provides us with a versatile tool for the controllable photonic and electronic engineering of an efficient probe for CNT detection.

  9. The auditory-vibratory system of the bushcricket Polysarcus denticauda (Phaneropterinae, Tettigoniidae). I. Morphology of the complex tibial organs.

    Science.gov (United States)

    Sickmann, T; Kalmring, K; Müller, A

    1997-02-01

    The structure of the complex tibial organs in the fore-, mid- and hindlegs of the bushcricket Polysarcus denticauda (Tettigoniidae, Phaneropterinae) is described comparatively. As is common for bushcrickets, in each leg the tibial organs consist of the subgenual and intermediate organs and the crista acustica. Only in the forelegs are sound-transmitting structures present. They consist of the spiracle, acoustic trachea, and two tympana; the latter are not protected by tympanal covers. The tympana in P. denticauda are extremely thick, not only bordering the two tracheal branches to the outside but also forming the outer wall of the hemolymph channel. The morphology of the tracheae in the mid- and hindlegs is significantly different, causing structural differences, especially in dimensions of the hemolymph channel. The number of scolopidia of the crista acustica of the foreleg is extremely high for a bushcricket. Approximately 50 receptor cells were found, about half of them being located in the distal quarter of the long axis of this organ. Some of the receptors are positioned in parallel on the dorsal wall of the anterior tracheal branch. The number, morphology and dimensions of the scolopidia within the crista acustica of the mid- and hindlegs differ significantly from those of the forelegs, decreasing in both legs to eight and seven receptor cells, respectively. Although the dimensions of the subgenual and intermediate organs are considerably larger in the mid- and hindlegs, the number of receptor cells is approximately the same in the different legs, being somewhat higher in both receptor organs than in those of many other bushcricket species studied previously.

  10. A new chromatographic response function for use in size-exclusion chromatography optimization strategies: Application to complex organic mixtures.

    Science.gov (United States)

    Duarte, Regina M B O; Duarte, Armando C

    2010-11-26

    A new chromatographic response function (CRF) is presented aiming at designing an optimal chromatographic separation protocol for assessing the molecular size distribution of complex organic mixtures, such as those of natural organic matter from different sources (atmospheric, aqueous, and terrestrial). This CRF can be applied to mixtures of unknown solutes, being well suited for describing separation processes of pair of peaks of highly unequal area, and also for overlapping and asymmetric peaks. The performance of the developed CRF was compared to that of an existing response function, using simulated chromatograms. The capability of the new function to qualify the resolution degree that it is attained under different chromatographic conditions was further assessed through a size-exclusion chromatography study of a variety of different organic compounds, via a two-level full factorial design. It was proved that this function is a reliable alternative to optimize simultaneously the composition of the mobile phase (pH, ionic strength, and organic modifier concentration) and the instrumental variables (flow rate).

  11. The potential pool of Co, Ni, Cu, Pb and Cd organic complexing ligands in coastal and urban rain waters

    Science.gov (United States)

    Nimmo, Malcolm; Fones, Gary R.

    The detection of dissolved ACSV (adsorptive cathodic stripping voltammetry) Co, Ni, Cu, Cd and Pb in rain waters collected from an urban and a coastal site in the northwest of England is described. The presence of metal complexing organic ligands in rain waters is indicated with an overall percentage of ACSV non - labile dissolved metal of the total dissolved metal fraction ( = %ACSV nl/t) being 33 (33); 28 (35); 26 (32); 33 (25); 27 (34): for Co, Ni, Cu, Cd and Pb, respectively, for the urban site (and coastal site). ACSV metal lability is theoretically defined and is dependent upon the a-coefficient ( β' MAL [AL]) of the added ACSV ligand (AL). No major differences were observed between %ACSV nl/t metal fractions in rain waters collected at the two contrasting sites for all the metals considered. As Cu, Pb, Cd and Ni had values greater than 10 for their Ef crust (crustal enrichment factor), rain water collected from both sites had predominantly anthropic chemical characteristics. The commonality of the aerosol chemical characteristics at the two sites may account for the observed similar (relative to total metal concentrations) proportions of metal organic complexation at the two different sites. The general order of increasing organic associations was Cu = Pb = Ni < Co < Cd, although the analytical log α-coefficients ( β' MAL [AL]) for each metal were different (9.62—Ni; 9.27—Cu; 5.29—Co; 2.15—Pb; 1.13—Cd). Significant correlations were encountered between ACSV non - labile and total dissolved trace metal concentrations of the pooled data from both sites, again an indication of the similarity of the chemical characteristics of the scavenged soluble organic ligands associated with background aerosol material.

  12. Vibration-induced Kondo tunneling through metal-organic complexes with even electron occupation number.

    Science.gov (United States)

    Kikoin, K; Kiselev, M N; Wegewijs, M R

    2006-05-05

    We investigate transport through a mononuclear transition-metal complex with strong tunnel coupling to two electrodes. The ground state of this molecule is a singlet, while the first excited state is a triplet. We show that a modulation of the tunnel-barrier due to a molecular distortion which couples to the tunneling induces a Kondo-effect, provided the discrete vibrational energy compensates the singlet-triplet gap. We discuss the single-phonon and two-phonon-assisted cotunneling and possible experimental realization of the theory.

  13. Microwave Hydrothermal Synthesis of Terbium Ions Complexed with Porous Graphene for Effective Absorbent for Organic Dye.

    Science.gov (United States)

    Chen, Keqin; Gao, Hui; Bai, Bowei; Liu, Wenjing; Li, Xiaolong

    2017-12-01

    A luminescent terbium ions/reduced graphene oxide complex (Tb-RGO) was successfully and rapidly synthesized by the microwave hydrothermal reaction via the interactions between terbium ions and the active oxygen functional groups of graphene oxide. The as-prepared material was porous stacked by multilayer graphene in all directions. Thus, the resulting product owed the high specific surface area, high adsorption capacity and ultra-fast adsorption rate. Combined with the characteristic photoluminescence derived from terbium ions, the material has potential applications in biosensing and environmental protection.

  14. Microwave Hydrothermal Synthesis of Terbium Ions Complexed with Porous Graphene for Effective Absorbent for Organic Dye

    Science.gov (United States)

    Chen, Keqin; Gao, Hui; Bai, Bowei; Liu, Wenjing; Li, Xiaolong

    2017-03-01

    A luminescent terbium ions/reduced graphene oxide complex (Tb-RGO) was successfully and rapidly synthesized by the microwave hydrothermal reaction via the interactions between terbium ions and the active oxygen functional groups of graphene oxide. The as-prepared material was porous stacked by multilayer graphene in all directions. Thus, the resulting product owed the high specific surface area, high adsorption capacity and ultra-fast adsorption rate. Combined with the characteristic photoluminescence derived from terbium ions, the material has potential applications in biosensing and environmental protection.

  15. Complex Indigenous Organic Matter Embedded in Apollo 17 Volcanic Black Glass Surface Deposits

    Science.gov (United States)

    Thomas-Keprta, Kathie L.; Clemett, S. J.; Ross, D. K.; Le, L.; Rahman, Z.; Gonzalez, C.; McKay, D. S.; Gibson, E. K.

    2013-01-01

    Papers presented at the first Lunar Science Conference [1] and those published in the subsequent Science Moon Issue [2] reported the C content of Apollo II soils, breccias, and igneous rocks as rang-ing from approx.50 to 250 parts per million (ppm). Later Fegley & Swindle [3] summarized the C content of bulk soils from all the Apollo missions as ranging from 2.5 (Apollo 15) to 280 ppm (Apollo 16) with an overall average of 124+/- 45 ppm. These values are unexpectedly low given that multiple processes should have contributed (and in some cases continue to contribute) to the lunar C inventory. These include exogenous accretion of cometary and asteroidal dust, solar wind implantation, and synthesis of C-bearing species during early lunar volcanism. We estimate the contribution of C from exogenous sources alone is approx.500 ppm, which is approx.4x greater than the reported average. While the assessm ent of indigenous organic matter (OM) in returned lunar samples was one of the primary scientific goals of the Apollo program, extensive analysis of Apollo samples yielded no evidence of any significant indigenous organic species. Furthermore, with such low concentrations of OM reported, the importance of discriminating indigenous OM from terrestrial contamination (e.g., lunar module exhaust, sample processing and handling) became a formidable task. After more than 40 years, with the exception of CH4 [5-7], the presence of indigenous lunar organics still remains a subject of considerable debate. We report for the first time the identification of arguably indigenous OM present within surface deposits of black glass grains collected on the rim of Shorty crater during the Apollo 17 mission by astronauts Eugene Cernan and Harrison Schmitt.

  16. Liquid-Phase Laser Induced Forward Transfer for Complex Organic Inks and Tissue Engineering.

    Science.gov (United States)

    Nguyen, Alexander K; Narayan, Roger J

    2017-01-01

    Laser induced forward transfer (LIFT) acts as a novel alternative to incumbent plotting techniques such as inkjet printing due to its ability to precisely deposit and position picoliter-sized droplets while being gentle enough to preserve sensitive structures within the ink. Materials as simple as screen printing ink to complex eukaryotic cells have been printed with applications spanning from microelectronics to tissue engineering. Biotechnology can benefit from this technique due to the efficient use of low volumes of reagent and the compatibility with a wide range of rheological properties. In addition, LIFT can be performed in a simple lab environment, not requiring vacuum or other extreme conditions. Although the basic apparatus is simple, many strategies exist to optimize the performance considering the ink and the desired pattern. The basic mechanism is similar between studies so the large number of variants can be summarized into a couple of categories and reported on with respect to their specific applications. In particular, precise and gentle deposition of complex molecules and eukaryotic cells represent the unique abilities of this technology. LIFT has demonstrated not only marked improvements in the quality of sensors and related medical devices over those manufactured with incumbent technologies but also great applicability in tissue engineering due to the high viability of printed cells.

  17. High-level ab initio computations of the absorption spectra of organic iridium complexes.

    Science.gov (United States)

    Plasser, Felix; Dreuw, Andreas

    2015-02-12

    The excited states of fac-tris(phenylpyridinato)iridium [Ir(ppy)3] and the smaller model complex Ir(C3H4N)3 are computed using a number of high-level ab initio methods, including the recently implemented algebraic diagrammatic construction method to third-order ADC(3). A detailed description of the states is provided through advanced analysis methods, which allow a quantification of different charge transfer and orbital relaxation effects and give extended insight into the many-body wave functions. Compared to the ADC(3) benchmark an unexpected striking difference of ADC(2) is found for Ir(C3H4N)3, which derives from an overstabilization of charge transfer effects. Time-dependent density functional theory (TDDFT) using the B3LYP functional shows an analogous but less severe error for charge transfer states, whereas the ωB97 results are in good agreement with ADC(3). Multireference configuration interaction computations, which are in reasonable agreement with ADC(3), reveal that static correlation does not play a significant role. In the case of the larger Ir(ppy)3 complex, results at the TDDFT/B3LYP and TDDFT/ωB97 levels of theory are presented. Strong discrepancies between the two functionals, which are found with respect to the energies, characters, as well as the density of the low lying states, are discussed in detail and compared to experiment.

  18. A sequence-based survey of the complex structural organization of tumor genomes

    Energy Technology Data Exchange (ETDEWEB)

    Collins, Colin; Raphael, Benjamin J.; Volik, Stanislav; Yu, Peng; Wu, Chunxiao; Huang, Guiqing; Linardopoulou, Elena V.; Trask, Barbara J.; Waldman, Frederic; Costello, Joseph; Pienta, Kenneth J.; Mills, Gordon B.; Bajsarowicz, Krystyna; Kobayashi, Yasuko; Sridharan, Shivaranjani; Paris, Pamela; Tao, Quanzhou; Aerni, Sarah J.; Brown, Raymond P.; Bashir, Ali; Gray, Joe W.; Cheng, Jan-Fang; de Jong, Pieter; Nefedov, Mikhail; Ried, Thomas; Padilla-Nash, Hesed M.; Collins, Colin C.

    2008-04-03

    The genomes of many epithelial tumors exhibit extensive chromosomal rearrangements. All classes of genome rearrangements can be identified using End Sequencing Profiling (ESP), which relies on paired-end sequencing of cloned tumor genomes. In this study, brain, breast, ovary and prostate tumors along with three breast cancer cell lines were surveyed with ESP yielding the largest available collection of sequence-ready tumor genome breakpoints and providing evidence that some rearrangements may be recurrent. Sequencing and fluorescence in situ hybridization (FISH) confirmed translocations and complex tumor genome structures that include coamplification and packaging of disparate genomic loci with associated molecular heterogeneity. Comparison of the tumor genomes suggests recurrent rearrangements. Some are likely to be novel structural polymorphisms, whereas others may be bona fide somatic rearrangements. A recurrent fusion transcript in breast tumors and a constitutional fusion transcript resulting from a segmental duplication were identified. Analysis of end sequences for single nucleotide polymorphisms (SNPs) revealed candidate somatic mutations and an elevated rate of novel SNPs in an ovarian tumor. These results suggest that the genomes of many epithelial tumors may be far more dynamic and complex than previously appreciated and that genomic fusions including fusion transcripts and proteins may be common, possibly yielding tumor-specific biomarkers and therapeutic targets.

  19. Network catastrophe: self-organized patterns reveal both the instability and the structure of complex networks.

    Science.gov (United States)

    Moon, Hankyu; Lu, Tsai-Ching

    2015-03-30

    Critical events in society or biological systems can be understood as large-scale self-emergent phenomena due to deteriorating stability. We often observe peculiar patterns preceding these events, posing a question of-how to interpret the self-organized patterns to know more about the imminent crisis. We start with a very general description - of interacting population giving rise to large-scale emergent behaviors that constitute critical events. Then we pose a key question: is there a quantifiable relation between the network of interactions and the emergent patterns? Our investigation leads to a fundamental understanding to: 1. Detect the system's transition based on the principal mode of the pattern dynamics; 2. Identify its evolving structure based on the observed patterns. The main finding of this study is that while the pattern is distorted by the network of interactions, its principal mode is invariant to the distortion even when the network constantly evolves. Our analysis on real-world markets show common self-organized behavior near the critical transitions, such as housing market collapse and stock market crashes, thus detection of critical events before they are in full effect is possible.

  20. Assessment of regional influence from a petrochemical complex by modeling and fingerprint analysis of volatile organic compounds (VOCs)

    Science.gov (United States)

    Su, Yuan-Chang; Chen, Sheng-Po; Tong, Yu-Huei; Fan, Chen-Lun; Chen, Wei-Hao; Wang, Jia-Lin; Chang, Julius S.

    2016-09-01

    This study aimed to demonstrate a strategy to investigate the influence of volatile organic compounds (VOCs) on its neighboring districts from a gigantic petrochemical complex. Monitoring of the VOCs in the region was achieved by a nine-station network, dubbed photochemical assessment measurement stations (PAMS), which produced speciated mixing ratios of 54 non-methane hydrocarbons (NMHCs) to represent VOCs with an hourly resolution within a 20 km radius. One-year (2013/10/1-2014/9/30) worth of PAMS data from the network were used in forms of total NMHCs (called PAMS-TNMHC) and speciated mixing ratios. Three dimensional modeling coupled with PAMS measurements successfully elucidated how the study domain was affected by the petrochemical complex and distant sources under three typical seasonal wind patterns: northeast monsoonal, southwest monsoonal, and local-circulation. More exquisite analysis of influence on the neighboring districts was permitted with the use of speciated mixing ratios of VOCs provided by the PAMS network. The ratios of ethylene/acetylene (E/A) > 3 and propylene/acetylene (P/A) > 1.5 were used as indicators to reveal the PAMS sites affected by the petrochemical emissions. Consequently, the hourly speciated data from the nine PAMS sites enabled a finer assessment of the districts affected by the complex to calculate the percent time of influence (dubbed TI%) for all the sites (districts). It was found that the region was more affected by the complex under both the northeast monsoonal and the local-circulation wind types with some of the PAMS sites greater than 5% for the TI%. By contrast, influence on the region was found minimal under the southwest monsoonal flow with the TI% small than 1.5% across all sites. This study successfully devised a method of assessment with the use of speciated measurements of selected VOCs and modeling to assess the influence of a prominent source on the neighboring districts by filtering out irrelevant sources under

  1. PLATINUM: a web tool for analysis of hydrophobic/hydrophilic organization of biomolecular complexes.

    Science.gov (United States)

    Pyrkov, Timothy V; Chugunov, Anton O; Krylov, Nikolay A; Nolde, Dmitry E; Efremov, Roman G

    2009-05-01

    The PLATINUM (Protein-Ligand ATtractions Investigation NUMerically) web service is designed for analysis and visualization of hydrophobic/hydrophilic properties of biomolecules supplied as 3D-structures. Furthermore, PLATINUM provides a number of tools for quantitative characterization of the hydrophobic/hydrophilic match in biomolecular complexes e.g. in docking poses. These complement standard scoring functions. The calculations are based on the concept of empirical Molecular Hydrophobicity Potential (MHP). The PLATINUM web tool as well as detailed documentation and tutorial are available free of charge for academic users at http://model.nmr.ru/platinum/. PLATINUM requires Java 5 or higher and Adobe Flash Player 9. Supplementary data are available at Bioinformatics online.

  2. Communication access to businesses and organizations for people with complex communication needs.

    Science.gov (United States)

    Collier, Barbara; Blackstone, Sarah W; Taylor, Andrew

    2012-12-01

    Human rights legislation and anti-discrimination and accessibility laws exist in many countries and through international conventions and treaties. To varying degrees, these laws protect the rights of people with disabilities to full and equal access to goods and services. Yet, the accessibility requirements of people with complex communication needs (CCN) are not well represented in the existing accessibility literature. This article describes the results of surveys completed by disability service providers and individuals with CCN due to cerebral palsy, developmental delay, and acquired disabilities. It identifies accessibility requirements for people with CCN for face-to-face communication; comprehension of spoken language; telephone communication; text and print-based communication; Internet, email, and social media interactions; and written communication. Recommendations are made for communication accessibility accommodations in regulations, guidelines, and practices.

  3. Filling the Green Gap of a Megadalton Photosystem I Complex by Conjugation of Organic Dyes.

    Science.gov (United States)

    Gordiichuk, Pavlo I; Rimmerman, Dolev; Paul, Avishek; Gautier, Daniel A; Gruszka, Agnieszka; Saller, Manfred; de Vries, Jan Willem; Wetzelaer, Gert-Jan A H; Manca, Marianna; Gomulya, Widianta; Matmor, Maayan; Gloukhikh, Ekaterina; Loznik, Mark; Ashkenasy, Nurit; Blom, Paul W M; Rögner, Matthias; Loi, Maria Antonietta; Richter, Shachar; Herrmann, Andreas

    2016-01-20

    Photosynthesis is Nature's major process for converting solar into chemical energy. One of the key players in this process is the multiprotein complex photosystem I (PSI) that through absorption of incident photons enables electron transfer, which makes this protein attractive for applications in bioinspired photoactive hybrid materials. However, the efficiency of PSI is still limited by its poor absorption in the green part of the solar spectrum. Inspired by the existence of natural phycobilisome light-harvesting antennae, we have widened the absorption spectrum of PSI by covalent attachment of synthetic dyes to the protein backbone. Steady-state and time-resolved photoluminescence reveal that energy transfer occurs from these dyes to PSI. It is shown by oxygen-consumption measurements that subsequent charge generation is substantially enhanced under broad and narrow band excitation. Ultimately, surface photovoltage (SPV) experiments prove the enhanced activity of dye-modified PSI even in the solid state.

  4. [Dynamics of calving, dystocia and the organization and effectiveness of obstetrical care for cows on commercial farm complexes].

    Science.gov (United States)

    Bozhkov, I; Stoianov, A; Kolchev, G

    1986-01-01

    A study was carried out on the organization of the obstetrical aid with cows on the large cow complexes in order to raise its effectiveness. Determined was the dynamic of calvings, dystocia, retentio secundinarum, and puerperal endometritis as affected by the time of calving and the character of obstetrical aid as practised on the farms. It was found that most of the calvings (62.6 per cent) take place at night, and 37.4 per cent--in daytime, while within the working day as fixed by the Labour Code--24.8 per cent only. Directly proportional to these were the cases of laboured delivery--60.4 per cent at night and 39.6 per cent in daytime. It was also established that at night obstetrical aid is chiefly rendered by the attendants on duty and the watchmen, which meant that it was unqualified, with bad results: higher rate of postnatal deaths, higher morbidity rates resulting from puerperal endometritis, prolonged period from calving to the first physiologic estrus and prolonged service period, lower conception rates, and higher economic losses. The authors suggest that the organization of labour of vets should take into consideration the productional and biologic processes on the industrial cow complexes, with night duty or two-shift work. These problems should be settled financially and by means of additional personnel as provided by the Labour Code and the new economic approach and its mechanisms.

  5. Structure of Utp21 tandem WD domain provides insight into the organization of the UTPB complex involved in ribosome synthesis.

    Directory of Open Access Journals (Sweden)

    Cheng Zhang

    Full Text Available Assembly of the eukaryotic ribosome requires a large number of trans-acting proteins and small nucleolar RNAs that transiently associate with the precursor rRNA to facilitate its modification, processing and binding with ribosomal proteins. UTPB is a large evolutionarily conserved complex in the 90S small subunit processome that mediates early processing of 18S rRNA. UTPB consists of six proteins Utp1/Pwp1, Utp6, Utp12/Dip2, Utp13, Utp18 and Utp21 and has abundant WD domains. Here, we determined the crystal structure of the tandem WD domain of yeast Utp21 at 2.1 Å resolution, revealing two open-clamshell-shaped β-propellers. The bottom faces of both WD domains harbor several conserved patches that potentially function as molecular binding sites. We show that residues 100-190 of Utp18 bind to the tandem WD domain of Utp21. Structural mapping of previous crosslinking data shows that the WD domains of Utp18 and Utp1 are organized on two opposite sides of the Utp21 WD domains. This study reports the first structure of a UTPB component and provides insight into the structural organization of the UTPB complex.

  6. Thermally Induced Chemistry of Meteoritic Complex Organic Molecules: A New Heat-Diffusion Model for the Atmospheric Entry of Meteorites

    CERN Document Server

    Shingledecker, Christopher N

    2014-01-01

    Research over the past four decades has shown a rich variety of complex organic molecular content in some meteorites. This current study is an attempt to gain a better insight into the thermal conditions experienced by these molecules inside meteorites during atmospheric entry. In particular, we wish to understand possible chemical processes that can occur during entry and that might have had an effect on complex organic or prebiotic species that were delivered in this way to the early Earth. A simulation was written in Fortran to model heating by the shock generated during entry and the subsequent thermal diffusion inside the body of a meteorite. Experimental data was used for the thermal parameters of several types of meteorites, including iron-nickel and several classes of chondrites. A Sutton-Graves model of stagnation-point heating was used to calculate peak surface temperatures and an explicit difference formula was used to generate thermal diffusion profiles for both chondrites and iron-nickel type met...

  7. Organic chemistry. Nanomole-scale high-throughput chemistry for the synthesis of complex molecules.

    Science.gov (United States)

    Buitrago Santanilla, Alexander; Regalado, Erik L; Pereira, Tony; Shevlin, Michael; Bateman, Kevin; Campeau, Louis-Charles; Schneeweis, Jonathan; Berritt, Simon; Shi, Zhi-Cai; Nantermet, Philippe; Liu, Yong; Helmy, Roy; Welch, Christopher J; Vachal, Petr; Davies, Ian W; Cernak, Tim; Dreher, Spencer D

    2015-01-02

    At the forefront of new synthetic endeavors, such as drug discovery or natural product synthesis, large quantities of material are rarely available and timelines are tight. A miniaturized automation platform enabling high-throughput experimentation for synthetic route scouting to identify conditions for preparative reaction scale-up would be a transformative advance. Because automated, miniaturized chemistry is difficult to carry out in the presence of solids or volatile organic solvents, most of the synthetic "toolkit" cannot be readily miniaturized. Using palladium-catalyzed cross-coupling reactions as a test case, we developed automation-friendly reactions to run in dimethyl sulfoxide at room temperature. This advance enabled us to couple the robotics used in biotechnology with emerging mass spectrometry-based high-throughput analysis techniques. More than 1500 chemistry experiments were carried out in less than a day, using as little as 0.02 milligrams of material per reaction.

  8. THEORIZING HYBRIDITY: INSTITUTIONAL LOGICS, COMPLEX ORGANIZATIONS, AND ACTOR IDENTITIES: THE CASE OF NONPROFITS.

    Science.gov (United States)

    Skelcher, Chris; Smith, Steven Rathgeb

    2015-06-01

    We propose a novel approach to theorizing hybridity in public and nonprofit organizations. The concept of hybridity is widely used to describe organizational responses to changes in governance, but the literature seldom explains how hybrids arise or what forms they take. Transaction cost and organizational design literatures offer some solutions, but lack a theory of agency. We use the institutional logics approach to theorize hybrids as entities that face a plurality of normative frames. Logics provide symbolic and material elements that structure organizational legitimacy and actor identities. Contradictions between institutional logics offer space for them to be elaborated and creatively reconstructed by situated agents. We propose five types of organizational hybridity - segmented, segregated, assimilated, blended, and blocked. Each type is theoretically derived from empirically observed variations in organizational responses to institutional plurality. We develop propositions to show how our approach to hybridity adds value to academic and policy-maker audiences.

  9. Titanium coordination compounds: from discrete metal complexes to metal–organic frameworks

    KAUST Repository

    Assi, Hala

    2017-05-24

    Owing to their promise in photocatalysis and optoelectronics, titanium based metal–organic frameworks (MOFs) are one of the most appealing classes of MOFs reported to date. Nevertheless, Ti-MOFs are still very scarce because of their challenging synthesis associated with a poor degree of control of their chemistry and crystallization. This review aims at giving an overview of the recent progress in this field focusing on the most relevant existing titanium coordination compounds as well as their promising photoredox properties. Not only Ti-MOFs but also Ti-oxo-clusters will be discussed and particular interest will be dedicated to highlight the different successful synthetic strategies allowing to overcome the still “unpredictable” reactivity of titanium ions, particularly to afford crystalline porous coordination polymers.

  10. Titanium coordination compounds: from discrete metal complexes to metal-organic frameworks.

    Science.gov (United States)

    Assi, Hala; Mouchaham, Georges; Steunou, Nathalie; Devic, Thomas; Serre, Christian

    2017-06-06

    Owing to their promise in photocatalysis and optoelectronics, titanium based metal-organic frameworks (MOFs) are one of the most appealing classes of MOFs reported to date. Nevertheless, Ti-MOFs are still very scarce because of their challenging synthesis associated with a poor degree of control of their chemistry and crystallization. This review aims at giving an overview of the recent progress in this field focusing on the most relevant existing titanium coordination compounds as well as their promising photoredox properties. Not only Ti-MOFs but also Ti-oxo-clusters will be discussed and particular interest will be dedicated to highlight the different successful synthetic strategies allowing to overcome the still "unpredictable" reactivity of titanium ions, particularly to afford crystalline porous coordination polymers.

  11. The Evolution of Organellar Coat Complexes and Organization of the Eukaryotic Cell.

    Science.gov (United States)

    Rout, Michael P; Field, Mark C

    2017-06-20

    Eukaryotic cells possess a remarkably diverse range of organelles that provide compartmentalization for distinct cellular functions and are likely responsible for the remarkable success of these organisms. The origins and subsequent elaboration of these compartments represent a key aspect in the transition between prokaryotic and eukaryotic cellular forms. The protein machinery required to build, maintain, and define many membrane-bound compartments is encoded by several paralog families, including small GTPases, coiled-bundle proteins, and proteins with β-propeller and α-solenoid secondary structures. Together these proteins provide the membrane coats and control systems to structure and coordinate the endomembrane system. Mechanistically and evolutionarily, they unite not only secretory and endocytic organelles but also the flagellum and nucleus. The ancient origins for these families have been revealed by recent findings, providing new perspectives on the deep evolutionary processes and relationships that underlie eukaryotic cell structure.

  12. Growing Self-organized Design of Efficient and Robust Complex Networks

    CERN Document Server

    Hayashi, Yukio

    2014-01-01

    A self-organization of efficient and robust networks is important for a future design of communication or transportation systems, however both characteristics are incompatible in many real networks. Recently, it has been found that the robustness of onion-like structure with positive degree-degree correlations is optimal against intentional attacks. We show that, by biologically inspired copying, an onion-like network emerges in the incremental growth with functions of proxy access and reinforced connectivity on a space. The proposed network consists of the backbone of tree-like structure by copyings and the periphery by adding shortcut links between low degree nodes to enhance the connectivity. It has the fine properties of the statistically self-averaging unlike the conventional duplication-divergence model, exponential-like degree distribution without overloaded hubs, strong robustness against both malicious attacks and random failures, and the efficiency with short paths counted by the number of hops as m...

  13. The complex multidomain organization of SCO-spondin protein is highly conserved in mammals.

    Science.gov (United States)

    Meiniel, Olivier; Meiniel, Annie

    2007-02-01

    The multidomain organization of SCO-spondin protein is a special feature of the chordate phylum. This protein is expressed in the central nervous system (CNS) from the time a dorsal neural tube appears in the course of phylogenetical evolution. With the advance of the systematic whole genomes sequencing, we were able to determine the SCO-spondin amino acid sequence in four mammalian species using the Wise2 software. From the ClustalW alignment of bovine (Bos taurus), human (Homo sapiens), murine (Mus musculus) and rat (Rattus norvegicus) proteins, a consensus sequence for mammalian SCO-spondin was determined and further validated with the dog (Canis familiaris) SCO-spondin sequence. The analysis of this consensus sequence is consistent with a very high degree of conservation in the amino acids composition and multidomain organization of SCO-spondin in mammals. In addition, the identification of conserved domains, namely, Emilin (EMI), von Willebrand factor D (vWD), low-density lipoprotein receptor type A (LDLrA) domains, SCO repeats (SCOR), thrombospondin type 1 repeats (TSR), a coagulation factor 5/8 type C (FA5-8C) or discoidin motif and a C-terminal cystine knot (CTCK) domain, provides a greater insight into the putative function of this multidomain protein. SCO-spondin belongs to the TSR superfamily given the presence of a great number of TSR (26). A finer classification of the TSR motifs in groups 1, 2 and 3 is proposed on the basis of different cysteine patterns. Interestingly, group 2 TSR are present in a number of CNS developmental proteins including R-spondins, F-spondins and Mindins.

  14. Effect of viscosity on photodegradation rates in complex secondary organic aerosol materials

    Energy Technology Data Exchange (ETDEWEB)

    Hinks, Mallory L.; Brady, Monica V.; Lignell, Hanna; Song, Mijung; Grayson, James W.; Bertram, Allan K.; Lin, Peng; Laskin, Alexander; Laskin, Julia; Nizkorodov, Sergey A.

    2016-01-01

    This work explores the effect of environmental conditions on the photodegradation rates of atmospherically relevant, photolabilie, organic molecules embedded in a film of secondary organic material (SOM). Three types of SOM were studied: a-pinene/O3 SOM (PSOM), limonene/O3 SOM (LSOM), and aged limonene/O3 obtained by exposure of LSOM to ammonia (brown LSOM). PSOM and LSOM were impregnated with 2,4-dinitrophenol (2,4-DNP), an atmospherically relevant molecule that photodegrades faster than either PSOM or LSOM alone, to serve as a probe of SOM matrix effects on photochemistry. Brown LSOM contains an unidentified chromophore that absorbs strongly at 510 nm and photobleaches upon irradiation. This chromophore served as a probe molecule for the brown LSOM experiments. In all experiments, the temperature and relative humidity (RH) surrounding the SOM films were varied. The extent of photochemical reaction in the samples was monitored using UV-Vis absorption spectroscopy. For all three model systems examined, the observed photodegradation rates were slower at lower temperatures and lower RH, under conditions that make SOM more viscous. Additionally, the activation energies for photodegradation of each system were positively correlated with the viscosity of the SOM matrix as measured in poke-flow experiments. These activation energies were calculated to be 50, 24, and 17 kJ/mol for 2,4-DNP in PSOM, 2,4-DNP in LSOM, and brown LSOM, respectively and PSOM was found to be the most viscous of the three. These results suggest that the increased viscosity is hindering the motion of the molecules in SOM and is slowing down photochemical reactions in which they participate.

  15. Key role of organic complexation of iron in sustaining phytoplankton blooms in the Pine Island and Amundsen Polynyas (Southern Ocean)

    Science.gov (United States)

    Thuróczy, Charles-Edouard; Alderkamp, Anne-Carlijn; Laan, Patrick; Gerringa, Loes J. A.; Mills, Matthew M.; Van Dijken, Gert L.; De Baar, Hein J. W.; Arrigo, Kevin R.

    2012-09-01

    Primary productivity in the Amundsen Sea (Southern Ocean) is among the highest in Antarctica. The summer phytoplankton bloom in 2009 lasted for >70 days in both the Pine Island and Amundsen Polynyas. Such productive blooms require a large supply of nutrients, including the trace metal iron (Fe). The organic complexation of dissolved Fe was investigated in the Amundsen Sea during the spring of 2009 to better understand the potential role of ligands in enhancing the local stock of dissolved Fe. The main sources of Fe and ligands to the Amundsen Sea are thought to be melting sea-ice and the Circumpolar Deep Water (CDW), which is modified (MCDW) on the continental shelf and upwells beneath the coastal glaciers and ice-shelves. Upwelling of relatively warm MCDW is also responsible for the rapid melting of the Pine Island Glacier (PIG) and surrounding ice-shelves, resulting in additional release of Fe into surface waters. At upwelling stations near ice shelves, organic ligands were nearly saturated with Fe, thus enhancing the stock of Fe and its availability to the phytoplankton community. However, ligands had little capacity to buffer additional Fe input from glacial melt. In these coastal upwelling regions, much of the glacial Fe supply is lost due to vertical export of Fe via scavenging and precipitation. Conversely, within the phytoplankton bloom in the nearby coastal polynyas, the uptake of Fe combined with the production of organic matter enhanced the abundance of relatively unsaturated organic ligands capable of stabilizing additional Fe supplied from glacial melt. These unsaturated dissolved organic ligands, combined with the continuous input of Fe (dissolved and particulate) from glacial melt, appear to favor the solubilization of Fe, thus increasing the stock of bioavailable Fe and fueling the phytoplankton bloom.

  16. Two-dimensional self-organization of the light-harvesting polypeptides/BChl a complex into a thermostable liposomal membrane

    NARCIS (Netherlands)

    Iida, K; Kiriyama, H; Fukai, A; Konings, WN; Nango, M

    2001-01-01

    The detergent-isolated light-harvesting polypeptide (LR)/bacteriochlorophyll alpha (BChl alpha) complex from the photosynthetic bacterium Rhodospirillum rubrum was organized in thermostable liposomal membranes comprising membrane-spanning tetraether lipids from Sulfolobus acidocaldarius to develop a

  17. Solution structure of the dimerization domain of the eukaryotic stalk P1/P2 complex reveals the structural organization of eukaryotic stalk complex.

    Science.gov (United States)

    Lee, Ka-Ming; Yu, Conny Wing-Heng; Chiu, Teddy Yu-Hin; Sze, Kong-Hung; Shaw, Pang-Chui; Wong, Kam-Bo

    2012-04-01

    The lateral ribosomal stalk is responsible for the kingdom-specific binding of translation factors and activation of GTP hydrolysis during protein synthesis. The eukaryotic stalk is composed of three acidic ribosomal proteins P0, P1 and P2. P0 binds two copies of P1/P2 hetero-dimers to form a pentameric P-complex. The structure of the eukaryotic stalk is currently not known. To provide a better understanding on the structural organization of eukaryotic stalk, we have determined the solution structure of the N-terminal dimerization domain (NTD) of P1/P2 hetero-dimer. Helix-1, -2 and -4 from each of the NTD-P1 and NTD-P2 form the dimeric interface that buries 2200 A(2) of solvent accessible surface area. In contrast to the symmetric P2 homo-dimer, P1/P2 hetero-dimer is asymmetric. Three conserved hydrophobic residues on the surface of NTD-P1 are replaced by charged residues in NTD-P2. Moreover, NTD-P1 has an extra turn in helix-1, which forms extensive intermolecular interactions with helix-1 and -4 of NTD-P2. Truncation of this extra turn of P1 abolished the formation of P1/P2 hetero-dimer. Systematic truncation studies suggest that P0 contains two spine-helices that each binds one copy of P1/P2 hetero-dimer. Modeling studies suggest that a large hydrophobic cavity, which can accommodate the loop between the spine-helices of P0, can be found on NTD-P1 but not on NTD-P2 when the helix-4 adopts an 'open' conformation. Based on the asymmetric properties of NTD-P1/NTD-P2, a structural model of the eukaryotic P-complex with P2/P1:P1/P2 topology is proposed.

  18. Effect of anthropogenic organic complexants on the solubility of Ni, Th, U(IV) and U(VI)

    Energy Technology Data Exchange (ETDEWEB)

    Felipe-Sotelo, M., E-mail: m.felipe-sotelo@lboro.ac.uk [Department of Chemistry, Loughborough University, LE11 3TU Loughborough, Leicestershire (United Kingdom); Edgar, M. [Department of Chemistry, Loughborough University, LE11 3TU Loughborough, Leicestershire (United Kingdom); Beattie, T. [MCM Consulting. Täfernstrasse 11, CH 5405 Baden-Dättwil (Switzerland); Warwick, P. [Enviras Ltd., LE11 3TU Loughborough, Leicestershire (United Kingdom); Evans, N.D.M.; Read, D. [Department of Chemistry, Loughborough University, LE11 3TU Loughborough, Leicestershire (United Kingdom)

    2015-12-30

    Highlights: • Citrate increases the solubility of Ni, Th and U between 3 and 4 orders of magnitude. • Theophrastite is the solubility controlling phase of Ni in 95%-saturated Ca(OH){sub 2}. • U(VI) and Ni may form Metal-citrate-OH complexes stabilised by the presence of Ca{sup 2+}. - Abstract: The influence of anthropogenic organic complexants (citrate, EDTA and DTPA from 0.005 to 0.1 M) on the solubility of nickel(II), thorium(IV) and uranium (U(IV) and U(VI)) has been studied. Experiments were carried out in 95%-saturated Ca(OH){sub 2} solutions, representing the high pH conditions anticipated in the near field of a cementitious intermediate level radioactive waste repository. Results showed that Ni(II) solubility increased by 2–4 orders of magnitude in the presence of EDTA and DTPA and from 3 to 4 orders of magnitude in the case of citrate. Citrate had the greatest effect on the solubility of Th(IV) and U(IV)/(VI). XRD and SEM analyses indicate that the precipitates are largely amorphous; only in the case of Ni(II), is there some evidence of incipient crystallinity, in the form of Ni(OH){sub 2} (theophrastite). A study of the effect of calcium suggests that U(VI) and Ni(II) may form metal-citrate-OH complexes stabilised by Ca{sup 2+}. Thermodynamic modelling underestimates the concentrations in solution in the presence of the ligands for all the elements considered here. Further investigation of the behaviour of organic ligands under hyperalkaline conditions is important because of the use of the thermodynamic constants in preparing the safety case for the geological disposal of radioactive wastes.

  19. A qualitative analysis of information sharing for children with medical complexity within and across health care organizations.

    Science.gov (United States)

    Quigley, Laura; Lacombe-Duncan, Ashley; Adams, Sherri; Hepburn, Charlotte Moore; Cohen, Eyal

    2014-06-30

    Children with medical complexity (CMC) are characterized by substantial family-identified service needs, chronic and severe conditions, functional limitations, and high health care use. Information exchange is critically important in high quality care of complex patients at high risk for poor care coordination. Written care plans for CMC are an excellent test case for how well information sharing is currently occurring. The purpose of this study was to identify the barriers to and facilitators of information sharing for CMC across providers, care settings, and families. A qualitative study design with data analysis informed by a grounded theory approach was utilized. Two independent coders conducted secondary analysis of interviews with parents of CMC and health care professionals involved in the care of CMC, collected from two studies of healthcare service delivery for this population. Additional interviews were conducted with privacy officers of associated organizations to supplement these data. Emerging themes related to barriers and facilitators to information sharing were identified by the two coders and the research team, and a theory of facilitators and barriers to information exchange evolved. Barriers to information sharing were related to one of three major themes; 1) the lack of an integrated, accessible, secure platform on which summative health care information is stored, 2) fragmentation of the current health system, and 3) the lack of consistent policies, standards, and organizational priorities across organizations for information sharing. Facilitators of information sharing were related to improving accessibility to a common document, expanding the use of technology, and improving upon a structured communication plan. Findings informed a model of how various barriers to information sharing interact to prevent optimal information sharing both within and across organizations and how the use of technology to improve communication and access to

  20. Leadership of risk decision making in a complex, technology organization: The deliberative decision making model

    Science.gov (United States)

    Flaming, Susan C.

    2007-12-01

    The continuing saga of satellite technology development is as much a story of successful risk management as of innovative engineering. How do program leaders on complex, technology projects manage high stakes risks that threaten business success and satellite performance? This grounded theory study of risk decision making portrays decision leadership practices at one communication satellite company. Integrated product team (IPT) leaders of multi-million dollar programs were interviewed and observed to develop an extensive description of the leadership skills required to navigate organizational influences and drive challenging risk decisions to closure. Based on the study's findings the researcher proposes a new decision making model, Deliberative Decision Making, to describe the program leaders' cognitive and organizational leadership practices. This Deliberative Model extends the insights of prominent decision making models including the rational (or classical) and the naturalistic and qualifies claims made by bounded rationality theory. The Deliberative Model describes how leaders proactively engage resources to play a variety of decision leadership roles. The Model incorporates six distinct types of leadership decision activities, undertaken in varying sequence based on the challenges posed by specific risks. Novel features of the Deliberative Decision Model include: an inventory of leadership methods for managing task challenges, potential stakeholder bias and debates; four types of leadership meta-decisions that guide decision processes, and aligned organizational culture. Both supporting and constraining organizational influences were observed as leaders managed major risks, requiring active leadership on the most difficult decisions. Although the company's engineering culture emphasized the importance of data-based decisions, the uncertainties intrinsic to satellite risks required expert engineering judgment to be exercised throughout. An investigation into