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Sample records for molecular-level processes governing

  1. MOLECULAR-LEVEL PROCESS GOVERNING THE INTERACTION OF CONTAMINANTS WITH IRON AND MANGANESE OXIDES

    EPA Science Inventory

    Many of the inorganic and organic contaminants present in sediments at DOE sites can bealtered or destroyed by reduction and oxidation (redox) reactions occurring at mineral surfaces. A fundamental understanding of such redox processes provided by molecular-level studies on stru...

  2. Molecular-Level Processes Governing the Interaction of Contaminants with Iron and Manganese Oxides - Final Report

    SciTech Connect

    Brown Jr., G. E.; Chambers, S. A.

    1999-10-31

    Many of the inorganic and organic contaminants present in sediments at DOE sites can be altered or destroyed by reduction and oxidation (redox) reactions occurring at mineral surfaces. A fundamental understanding of such redox processes provided by molecular-level studies on structurally and compositionally well-defined mineral surfaces will lead to: (i) improved models of contaminant fate and transport in geochemical systems, and (ii) optimized manipulation of these processes for remediation purposes. To contribute to this understanding, we will study, both experimentally and theoretically, redox processes involving three important contaminants - chromate ion, carbon tetrachloride, and trichloroethene TCE, on the following iron and manganese oxides - hematite, magnetite, maghemite, and pyrolusite. These oxides and their hydroxylated analogs commonly occur as coatings on minerals or as interfaces in the subsurface environment. Single-crystal surfaces of these oxides will be synthesized in carefully controlled fashion by molecular beam epitaxy. These surfaces, as well as high surface are powdered samples of these oxides, will be used in spectroscopic and kinetic experiments in both aqueous and gas phases. Our goal is to identify products and to determine the kinetics and mechanisms of surface-catalyzed redox reaction of Cr(VI) and CR(III), and the reductive dechlorination of carbon tetrachloride and TCE. The combination of theory and experiment will provide the base information needed to scale from the molecular level to the microscopic grain level minerals.

  3. Molecular-level processes governing the interaction of contaminants with iron and manganese oxides. 1997 annual progress report

    SciTech Connect

    Chambers, S.A.; Brown, G.

    1997-06-01

    'The central tenet of this proposal is that a fundamental understanding of specific mineral surface-site reactivities will substantially improve reactive transport models of contaminants in geologic systems, and will allow more effective remediation schemes to be devised. Most large-scale, macroscopic models employ global chemical reaction kinetics and thermochemistry. However, such models do not incorporate molecular-level input critical to the detailed prediction of how contaminants interact with minerals in the subsurface. A first step leading to the incorporation of molecular-level processes in large-scale macroscopic models is the ability to understand which molecular-level processes will dominate the chemistry at the microscopic grain level of minerals. To this end, the research focuses on the fundamental mechanisms of redox chemistry at mineral surfaces. As much of this chemistry in sediments involves the Fe(III)/Fe(II) and Mn(IV)/Mn(II) couples, the authors focus on mineral phases containing these species. Of particular interest is the effect of the local coordination environment of Fe and Mn atoms on their reactivity toward contaminant species. Studies of the impact of local atomic structure on reactivity in combination with knowledge about the types and amounts of various surfaces on natural grain- size minerals provide the data for statistical models. These models in turn form the basis of the larger-scale macroscopic descriptions of reactivity that are needed for reactive transport models. A molecular-level understanding of these mechanisms will enhance the ability to design much greater performance efficiency, cost effectiveness, and remediation strategies that have minimal negative impact on the local environment. For instance, a comprehensive understanding of how minerals that contain Fe(II) reduce oxyanions and chlorinated organics should enable the design of other Fe(II)-containing remediation materials in a way that is synergistic with existing

  4. Towards a molecular-level theory of carbohydrate processivity in glycoside hydrolases.

    PubMed

    Beckham, Gregg T; Ståhlberg, Jerry; Knott, Brandon C; Himmel, Michael E; Crowley, Michael F; Sandgren, Mats; Sørlie, Morten; Payne, Christina M

    2014-06-01

    Polysaccharide depolymerization in nature is primarily accomplished by processive glycoside hydrolases (GHs), which abstract single carbohydrate chains from polymer crystals and cleave glycosidic linkages without dissociating after each catalytic event. Understanding the molecular-level features and structural aspects of processivity is of importance due to the prevalence of processive GHs in biomass-degrading enzyme cocktails. Here, we describe recent advances towards the development of a molecular-level theory of processivity for cellulolytic and chitinolytic enzymes, including the development of novel methods for measuring rates of key steps in processive action and insights gained from structural and computational studies. Overall, we present a framework for developing structure-function relationships in processive GHs and outline additional progress towards developing a fundamental understanding of these industrially important enzymes. PMID:24863902

  5. Molecular level energy and electron transfer processes at nanocrystalline titanium dioxide interfaces

    NASA Astrophysics Data System (ADS)

    Farzad, Fereshteh

    This thesis describes photo-induced molecular electron and energy transfer processes occurring at nanocrystalline semiconductor interfaces. The Introductory Chapter provides background and describes how these materials may be useful for solar energy conversion. In Chapter 2, results describing excitation of Ru(deeb)(bpy)2 2+, bis(2,2'-bipyridine)(2,2'-bipyridine-4,4 '-diethylester)ruthenium(II) hexafluorophosphate, bound to nanocrystalline TiO2 thin films, immersed in an acetonitrile bath are presented. The data indicates that light excitation forms predominately long-lived metal-to-ligand charge-transfer, MLCT, excited states under these conditions. Modeling of the data as a function of irradiance has been accomplished assuming parallel unimolecular and bimolecular excited state deactivation processes. The quantum yield for excited state formation depends on the excitation irradiance, consistent with triplet-triplet annihilation processes that occur with k > 1 x 108 s-1. Chapter 3 extends the work described in Chapter 2 to LiClO4 acetonitrile solutions. Li+ addition results in a red shift in the MLCT absorption and photoluminescence, PL, and a concentration dependent quenching of the PL intensity on TiO2. The Li+ induced spectroscopic changes were found to be reversible by varying the electrolyte composition. A second-order kinetic model quantified charge recombination transients. A model is proposed wherein Li+ ion adsorption stabilizes TiO2 acceptor states resulting in energetically more favorable interfacial electron transfer. The photophysical and photoelectrochemical properties of porous nanocrystalline anatase TiO2 electrodes modified with Ru(deeb)(bpy)2 2+, Os(deeb)(bpy)22+, and mixtures of both are described in Chapters 4 and 5. In regenerative solar cells with 0.5 M LiI/0.05 M I2 acetonitrile electrolyte, both compounds efficiently inject electrons into TiO2 producing monochromatic incident photon-to-current efficiencies (IPCE), IPCE (460 nm) = 0.70 + 0

  6. Water interactions with condensed organic phases: a combined experimental and theoretical study of molecular-level processes

    NASA Astrophysics Data System (ADS)

    Johansson, Sofia M.; Kong, Xiangrui; Thomson, Erik S.; Papagiannakopoulos, Panos; Pettersson, Jan B. C.; Lovrić, Josip; Toubin, Céline

    2016-04-01

    Water uptake on aerosol particles modifies their chemistry and microphysics with important implications for air quality and climate. A large fraction of the atmospheric aerosol consists of organic aerosol particles or inorganic particles with condensed organic components. Here, we combine laboratory studies using the environmental molecular beam (EMB) method1 with molecular dynamics (MD) simulations to characterize water interactions with organic surfaces in detail. The over-arching aim is to characterize the mechanisms that govern water uptake, in order to guide the development of physics-based models to be used in atmospheric modelling. The EMB method enables molecular level studies of interactions between gases and volatile surfaces at near ambient pressure,1 and the technique may provide information about collision dynamics, surface and bulk accommodation, desorption and diffusion kinetics. Molecular dynamics simulations provide complementary information about the collision dynamics and initial interactions between gas molecules and the condensed phase. Here, we focus on water interactions with condensed alcohol phases that serve as highly simplified proxies for systems in the environment. Gas-surface collisions are in general found to be highly inelastic and result in efficient surface accommodation of water molecules. As a consequence, surface accommodation of water can be safely assumed to be close to unity under typical ambient conditions. Bulk accommodation is inefficient on solid alcohol and the condensed materials appear to produce hydrophobic surface structures, with limited opportunities for adsorbed water to form hydrogen bonds with surface molecules. Accommodation is significantly more efficient on the dynamic liquid alcohol surfaces. The results for n-butanol (BuOH) are particularly intriguing where substantial changes in water accommodation taking place over a 10 K interval below and above the BuOH melting point.2 The governing mechanisms for the

  7. Mechanical and electrical properties of carbon nanotube/Cu nanocomposites by molecular-level mixing and controlled oxidation process.

    PubMed

    Lim, Byung K; Mo, Chan B; Nam, Dong H; Hong, Soon H

    2010-01-01

    A molecular-level mixing and controlled oxidation process is proposed as a novel fabrication technique for the production of CNT/Cu nanocomposite powders. The fabricated CNT/Cu2O nanocomposite powders showed microstructures with homogeneous dispersion of implanted CNTs in a Cu2O matrix. The CNT/Cu2O nanocomposite powders were reduced to CNT/Cu nanocomposite powders with H2 gas and then the as-prepared CNT/Cu nanocomposite powders were spark plasma sintered to fabricate CNT/Cu nanocomposites. The mechanical properties of the Cu and the CNT/Cu nanocomposites were characterized by tensile testing before and after hot compression. Before hot compression, the CNT/Cu nanocomposites were brittle, but after hot compression both yield strength and elongation were increased, while the yield strength of the Cu was decreased after hot compression. Hot compression enhanced the ductility and strength of the CNT/Cu nanocomposites due to alignment of Cu grains and CNTs. Electrical conductivity was also enhanced due to a reduced scattering of electrons because of the alignment of the CNTs and Cu grains as well as the annealing effects of the Cu matrix. PMID:20352814

  8. Identification of light absorbing oligomers from glyoxal and methylglyoxal aqueous processing: a comparative study at the molecular level

    NASA Astrophysics Data System (ADS)

    Finessi, Emanuela; Hamilton, Jacqueline; Rickard, Andrew; Baeza-Romero, Maria; Healy, Robert; Peppe, Salvatore; Adams, Tom; Daniels, Mark; Ball, Stephen; Goodall, Iain; Monks, Paul; Borras, Esther; Munoz, Amalia

    2014-05-01

    Numerous studies point to the reactive uptake of gaseous low molecular weight carbonyls onto atmospheric waters (clouds/fog droplets and wet aerosols) as an important SOA formation route not yet included in current models. However, the evaluation of these processes is challenging because water provides a medium for a complex array of reactions to take place such as self-oligomerization, aldol condensation and Maillard-type browning reactions in the presence of ammonium salts. In addition to adding to SOA mass, aqueous chemistry products have been shown to include light absorbing, surface-active and high molecular weight oligomeric species, and can therefore affect climatically relevant aerosol properties such as light absorption and hygroscopicity. Glyoxal (GLY) and methylglyoxal (MGLY) are the gaseous carbonyls that have perhaps received the most attention to date owing to their ubiquity, abundance and reactivity in water, with the majority of studies focussing on bulk physical properties. However, very little is known at the molecular level, in particular for MGLY, and the relative potential of these species as aqueous SOA precursors in ambient air is still unclear. We have conducted experiments with both laboratory solutions and chamber-generated particles to simulate the aqueous processing of GLY and MGLY with ammonium sulphate (AS) under typical atmospheric conditions and investigated their respective aging products. Both high performance liquid chromatography coupled with UV-Vis detection and ion trap mass spectrometry (HPLC-DAD-MSn) and high resolution mass spectrometry (FTICRMS) have been used for molecular identification purposes. Comprehensive gas chromatography with nitrogen chemiluminescence detection (GCxGC-NCD) has been applied for the first time to these systems, revealing a surprisingly high number of nitrogen-containing organics (ONs), with a large extent of polarities. GCxGC-NCD proved to be a valuable tool to determine overall amount and rates of

  9. Recent developments in the application of nanomaterials to understanding molecular level processes in cobalt catalysed Fischer-Tropsch synthesis.

    PubMed

    Beaumont, S K

    2014-03-21

    This perspective offers an overview of using nanomaterials for understanding cobalt catalysed Fischer-Tropsch chemistry. Nanomaterials now afford unprecedented control of size, shape and structure at the nanometre scale. This makes them invaluable tools for studying heterogeneous catalysis. The Fischer-Tropsch reaction, especially using cobalt based catalysts, is a linchpin in many processes for utilising other feedstocks (via gasification) that have been envisaged as short/medium term replacements for crude oil. The underlying chemistry has therefore garnered considerable renewed interest. The current state of the art in mechanistic understanding is summarised and the application of nanomaterials to developing this further is explored. Several specific questions, to which nanomaterials have already contributed answers, are addressed: how do nanomaterials contribute to our understanding of cobalt particle size effects, reducibility, and the effect of support porosity and how do precious metal promoters operate in cobalt catalysed Fischer-Tropsch chemistry? Future possible uses for nanomaterials in studying this field are also identified. PMID:24487570

  10. Molecular-level process governing the interaction of contaminants with iron and manganese oxides. 1998 annual progress report

    SciTech Connect

    Chambers, S.A.; Brown, G.E.

    1998-06-01

    'The authors are carrying out a program of research that focuses on the fundamental mechanisms of redox chemistry of contaminants on mineral surfaces. As much of this chemistry in sediments involves the Fe(III)/Fe(II) and Mn(IV)/Mn(II) couples, they are focusing on mineral phases containing these species. The authors are using a variety of experimental probes, along with molecular modeling theory, to determine clean mineral surface structure and morphology, details of the chemisorption and decomposition of water, and the interface structure and redox chemistry of important contaminants such as CrO{sub 4}{sup -2} on these surfaces. Insight gained in this project will aid in the formulation of more accurate and realistic contaminant-surface complexation and contaminant transport models, and may suggest improved remediation strategies for certain kinds of contaminated soil and groundwater.'

  11. Building an Identity Management Governance Process

    ERIC Educational Resources Information Center

    Berg, Joanne E.; Kraemer, Ron; Raatz, Carla; Devoti, Steve

    2009-01-01

    A particular challenge in any campus environment is determining how requests for access to services and resources are managed. Who decides the technology, infrastructure, policy, business process and procedure? The involvement of key institutional leaders and stakeholders in identity management governance is the driving force behind the way the…

  12. Shared governance team develops standard onboarding process.

    PubMed

    Sarnese, Paul M

    2016-01-01

    Standardizing the hiring and onboarding of security officers in a diverse and comprehensive healthcare system has been attained, according to the author, by the employment of Shared Governance, a staff-leader partnership designed to improve department outcomes. In this article, he describes how Shared Government was employed, how different issues were identified, and how benefits were achieved. PMID:26978953

  13. BioMOL: a computer-assisted biological modeling tool for complex chemical mixtures and biological processes at the molecular level.

    PubMed Central

    Klein, Michael T; Hou, Gang; Quann, Richard J; Wei, Wei; Liao, Kai H; Yang, Raymond S H; Campain, Julie A; Mazurek, Monica A; Broadbelt, Linda J

    2002-01-01

    A chemical engineering approach for the rigorous construction, solution, and optimization of detailed kinetic models for biological processes is described. This modeling capability addresses the required technical components of detailed kinetic modeling, namely, the modeling of reactant structure and composition, the building of the reaction network, the organization of model parameters, the solution of the kinetic model, and the optimization of the model. Even though this modeling approach has enjoyed successful application in the petroleum industry, its application to biomedical research has just begun. We propose to expand the horizons on classic pharmacokinetics and physiologically based pharmacokinetics (PBPK), where human or animal bodies were often described by a few compartments, by integrating PBPK with reaction network modeling described in this article. If one draws a parallel between an oil refinery, where the application of this modeling approach has been very successful, and a human body, the individual processing units in the oil refinery may be considered equivalent to the vital organs of the human body. Even though the cell or organ may be much more complicated, the complex biochemical reaction networks in each organ may be similarly modeled and linked in much the same way as the modeling of the entire oil refinery through linkage of the individual processing units. The integrated chemical engineering software package described in this article, BioMOL, denotes the biological application of molecular-oriented lumping. BioMOL can build a detailed model in 1-1,000 CPU sec using standard desktop hardware. The models solve and optimize using standard and widely available hardware and software and can be presented in the context of a user-friendly interface. We believe this is an engineering tool with great promise in its application to complex biological reaction networks. PMID:12634134

  14. Systemic structural modular generalization of the crystallography of bound water applied to study the mechanisms of processes in biosystems at the atomic and molecular level

    SciTech Connect

    Bulienkov, N. A.

    2011-07-15

    The main reasons of the modern scientific revolution, one of the consequences of which are nanotechnologies and the development of interdisciplinary overall natural science (which can build potentially possible atomic structures and study the mechanisms of the processes occurring in them), are considered. The unifying role of crystallography in the accumulation of interdisciplinary knowledge is demonstrated. This generalization of crystallography requires the introduction of a new concept: a module which reflects the universal condition for stability of all real and potential and equilibrium and nonequilibrium structures of matter (their connectivity). A modular generalization of crystallography covers all forms of solids, including the structure of bound water (a system-forming matrix for the self-organization and morphogenesis of hierarchical biosystems which determines the metric selection of all other structural components of these systems). A dynamic model of the water surface layer, which serves as a matrix in the formation of Langmuir monolayers and plays a key role in the occurrence of life on the Earth, is developed.

  15. Shared Governance and Regional Accreditation: Institutional Processes and Perceptions

    ERIC Educational Resources Information Center

    McGrane, Wendy L.

    2013-01-01

    This qualitative single-case research study was conducted to gain deeper understanding of the institutional processes to address shared governance accreditation criteria and to determine whether institutional processes altered stakeholder perceptions of shared governance. The data collection strategies were archival records and personal…

  16. Understanding collective behavior at the molecular level

    NASA Astrophysics Data System (ADS)

    Mestler, Troy; Gregor, Thomas

    2010-03-01

    Social amoeba transition from a collection of individual cells into a multicellular spore-complex. During this process, amoebae display several interesting phenomena including intercellular signaling, pattern formation, and cell differentiation. At the heart of these phenomena is the exchange of the signaling molecule cyclic-AMP, which has been extensively studied using a variety of indirect monitoring methods. Here we employ a sensor that uses a compound fluorescent protein whose emission spectrum changes in the presence of bound cyclic AMP to directly monitor, in real time and in vivo, intracellular cAMP concentrations. We use cells expressing this sensor in custom made microfabricated chemostats to study how individual cells communicate via cAMP in the aggregation process in a larger effort to bridge the gap between individual and collective behavior of this system. Specifically, we observe changes in aggregatory behavior and measure cAMP signals in response to time-varying extracellular cAMP functions to build a comprehensive model with readily verifiable predictions with the goal of controlling collective behaviors at the molecular level.

  17. Toward Sustainable Anticipatory Governance: Analyzing and Assessing Nanotechnology Innovation Processes

    NASA Astrophysics Data System (ADS)

    Foley, Rider Williams

    Cities around the globe struggle with socio-economic disparities, resource inefficiency, environmental contamination, and quality-of-life challenges. Technological innovation, as one prominent approach to problem solving, promises to address these challenges; yet, introducing new technologies, such as nanotechnology, into society and cities has often resulted in negative consequences. Recent research has conceptually linked anticipatory governance and sustainability science: to understand the role of technology in complex problems our societies face; to anticipate negative consequences of technological innovation; and to promote long-term oriented and responsible governance of technologies. This dissertation advances this link conceptually and empirically, focusing on nanotechnology and urban sustainability challenges. The guiding question for this dissertation research is: How can nanotechnology be innovated and governed in responsible ways and with sustainable outcomes? The dissertation: analyzes the nanotechnology innovation process from an actor- and activities-oriented perspective (Chapter 2); assesses this innovation process from a comprehensive perspective on sustainable governance (Chapter 3); constructs a small set of future scenarios to consider future implications of different nanotechnology governance models (Chapter 4); and appraises the amenability of sustainability problems to nanotechnological interventions (Chapter 5). The four studies are based on data collected through literature review, document analysis, participant observation, interviews, workshops, and walking audits, as part of process analysis, scenario construction, and technology assessment. Research was conducted in collaboration with representatives from industry, government agencies, and civic organizations. The empirical parts of the four studies focus on Metropolitan Phoenix. Findings suggest that: predefined mandates and economic goals dominate the nanotechnology innovation process

  18. Discrete Atomic Layers at the Molecular Level

    NASA Astrophysics Data System (ADS)

    Yorimitsu, Hideki; Bhanuchandra, M.

    2015-12-01

    In this review, we deal with the syntheses of large discrete atomic layers at the molecular level. Spectroscopic measurements as well as X-ray crystallographic analyses lead to unambiguous characterizations of these layers. The molecular atomic layers can be considered to be parts of graphenes and related atomic layers, thereby helping to understand such indefinitely huge atomic layers or serving as seeds for the controlled synthesis of nanocarbons.

  19. Governance.

    ERIC Educational Resources Information Center

    Academe, 1989

    1989-01-01

    Over the last 75 years the AAUP has made progress in specifying its standards of governance and in reconciling traditional governance with collective bargaining. Excerpts from the "Joint Statement on Government of Colleges and Universities" and the "Statement on Academic Government for Institutions Engaged in Collective Bargaining" are presented.…

  20. Probing Radiation Damage at the Molecular Level

    NASA Astrophysics Data System (ADS)

    Mason, N. J.; Smialek, M. A.; Moore, S. A.; Folkard, M.; Hoffmann, S. V.

    2006-12-01

    Radiation damage of DNA and other cellular components has traditionally been attributed to ionisation via direct impact of high-energy quanta or by complex radical chemistry. However recent research has shown that strand breaks in DNA may be initiated by secondary electrons and is strongly dependent upon the target DNA base identity. Such research provides the fascinating perspective that it is possible that radiation damage may be described and understood at an individual molecular level introducing new possibilites for therapy and perhaps providing an insight into the origins of life.

  1. Science-policy processes for transboundary water governance.

    PubMed

    Armitage, Derek; de Loë, Rob C; Morris, Michelle; Edwards, Tom W D; Gerlak, Andrea K; Hall, Roland I; Huitema, Dave; Ison, Ray; Livingstone, David; MacDonald, Glen; Mirumachi, Naho; Plummer, Ryan; Wolfe, Brent B

    2015-09-01

    In this policy perspective, we outline several conditions to support effective science-policy interaction, with a particular emphasis on improving water governance in transboundary basins. Key conditions include (1) recognizing that science is a crucial but bounded input into water resource decision-making processes; (2) establishing conditions for collaboration and shared commitment among actors; (3) understanding that social or group-learning processes linked to science-policy interaction are enhanced through greater collaboration; (4) accepting that the collaborative production of knowledge about hydrological issues and associated socioeconomic change and institutional responses is essential to build legitimate decision-making processes; and (5) engaging boundary organizations and informal networks of scientists, policy makers, and civil society. We elaborate on these conditions with a diverse set of international examples drawn from a synthesis of our collective experiences in assessing the opportunities and constraints (including the role of power relations) related to governance for water in transboundary settings. PMID:25773532

  2. Implementing Clinical governance in Iranian hospitals: purpose, process and pitfalls

    PubMed Central

    Mohaghegh, Bahram; Ravaghi, Hamid; Mannion, Russell; Heidarpoor, Peigham; Sajadi, Haniye Sadat

    2016-01-01

    Introduction Clinical governance as an approach to improving the quality and safety of clinical care has been run in all Iranian hospitals since 2009. This study aimed to provide a comprehensive overview of the processes and challenges faced in implementing clinical governance (CG) in acute-care hospitals in Iran. Methods We conducted an in-depth, qualitative, multi-case study using semi-structured interviews with a range of key stakeholders and review of relevant documents. This study was conducted in 2011–2012 in six governmental hospitals affiliated with Tehran University of Medical Sciences. The data were analyzed using framework analysis. Results The interviewees, predominantly senior managers and nurses, expressed generally positive attitudes towards the benefits of CG. Four out of the six hospitals had a formal strategic plan to implement and execute CG. The emergent barriers to the implementation of CG included insufficient resources, the absence of clear supporting structures, a lack of supportive cultures, and inadequate support from senior management. The main facilitating factors were the reverse of the barriers noted above in addition to developing good relationships with key stakeholders, raising the awareness of CG among staff, and well-designed incentives. Conclusions There is a positive sense towards CG, but its successful implementation in Iran will require raising the awareness of CG among staff and key stakeholders and the successful collaboration of internal staff and external agencies. PMID:26952249

  3. Elementary processes governing the evolution of road networks

    NASA Astrophysics Data System (ADS)

    Strano, Emanuele; Nicosia, Vincenzo; Latora, Vito; Porta, Sergio; Barthélemy, Marc

    2012-03-01

    Urbanisation is a fundamental phenomenon whose quantitative characterisation is still inadequate. We report here the empirical analysis of a unique data set regarding almost 200 years of evolution of the road network in a large area located north of Milan (Italy). We find that urbanisation is characterised by the homogenisation of cell shapes, and by the stability throughout time of high-centrality roads which constitute the backbone of the urban structure, confirming the importance of historical paths. We show quantitatively that the growth of the network is governed by two elementary processes: (i) `densification', corresponding to an increase in the local density of roads around existing urban centres and (ii) `exploration', whereby new roads trigger the spatial evolution of the urbanisation front. The empirical identification of such simple elementary mechanisms suggests the existence of general, simple properties of urbanisation and opens new directions for its modelling and quantitative description.

  4. Elementary processes governing the evolution of road networks

    PubMed Central

    Strano, Emanuele; Nicosia, Vincenzo; Latora, Vito; Porta, Sergio; Barthélemy, Marc

    2012-01-01

    Urbanisation is a fundamental phenomenon whose quantitative characterisation is still inadequate. We report here the empirical analysis of a unique data set regarding almost 200 years of evolution of the road network in a large area located north of Milan (Italy). We find that urbanisation is characterised by the homogenisation of cell shapes, and by the stability throughout time of high–centrality roads which constitute the backbone of the urban structure, confirming the importance of historical paths. We show quantitatively that the growth of the network is governed by two elementary processes: (i) ‘densification’, corresponding to an increase in the local density of roads around existing urban centres and (ii) ‘exploration’, whereby new roads trigger the spatial evolution of the urbanisation front. The empirical identification of such simple elementary mechanisms suggests the existence of general, simple properties of urbanisation and opens new directions for its modelling and quantitative description. PMID:22389765

  5. Governing processes for reactive nitrogen compounds in the European atmosphere

    NASA Astrophysics Data System (ADS)

    Hertel, O.; Skjøth, C. A.; Reis, S.; Bleeker, A.; Harrison, R. M.; Cape, J. N.; Fowler, D.; Skiba, U.; Simpson, D.; Jickells, T.; Kulmala, M.; Gyldenkærne, S.; Sørensen, L. L.; Erisman, J. W.; Sutton, M. A.

    2012-12-01

    Reactive nitrogen (Nr) compounds have different fates in the atmosphere due to differences in the governing processes of physical transport, deposition and chemical transformation. Nr compounds addressed here include reduced nitrogen (NHx: ammonia (NH3) and its reaction product ammonium (NH4+)), oxidized nitrogen (NOy: nitrogen monoxide (NO) + nitrogen dioxide (NO2) and their reaction products) as well as organic nitrogen compounds (organic N). Pollution abatement strategies need to take into account the differences in the governing processes of these compounds when assessing their impact on ecosystem services, biodiversity, human health and climate. NOx (NO + NO2) emitted from traffic affects human health in urban areas where the presence of buildings increases the residence time in streets. In urban areas this leads to enhanced exposure of the population to NOx concentrations. NOx emissions generally have little impact on nearby ecosystems because of the small dry deposition rates of NOx. These compounds need to be converted into nitric acid (HNO3) before removal through deposition is efficient. HNO3 sticks quickly to any surface and is thereby either dry deposited or incorporated into aerosols as nitrate (NO3-). In contrast to NOx compounds, NH3 has potentially high impacts on ecosystems near the main agricultural sources of NH3 because of its large ground-level concentrations along with large dry deposition rates. Aerosol phase NH4+ and NO3- contribute significantly to background PM2.5 and PM10 (mass of aerosols with an aerodynamic diameter of less than 2.5 and 10 μm, respectively) with an impact on radiation balance as well as potentially on human health. Little is known quantitatively and qualitatively about organic N in the atmosphere, other than that it contributes a significant fraction of wet-deposited N, and is present in both gaseous and particulate forms. Further studies are needed to characterise the sources, air chemistry and

  6. Governance.

    ERIC Educational Resources Information Center

    Moran, K. D.

    The author notes that two trends appear to be developing in litigation over the governance of the public schools. One trend is increasing participation of organized groups in suits against the schools. The other is a greater volume of litigation dealing with open meeting laws and freedom of information acts. Reflecting the second trend, the…

  7. Processes the Govern Helicity Injection in the SSPX Spheromak

    SciTech Connect

    Woodruff, S; Stallard, B W; Holcomb, C T; Cothran, C

    2002-10-08

    The physical processes that govern the gun-voltage and give rise to field generation by helicity injection are surveyed in the Sustained Spheromak Physics experiment (SSPX) using internal magnetic field probes and particular attention to the gun-voltage. SSPX is a gun-driven spheromak, similar in many respects to CTX, although differing substantially by virtue of a programmable vacuum field configuration. Device parameters are: diameter = 1m, I{sub tor}-400kA, T{sub e}{approx}120eV, t{sub pulse}{approx}3ms. SSPX is now in its third year of operation and has demonstrated reasonable confinement (core {chi}{sub e}{approx}30m{sup 2}/s), and evidence for a beta limit (<{beta}{sub e}>{sub vol}{approx}4%), suggesting that the route to high temperature is to increase the spheromak field-strength (or current amplification, A{sub I} = I{sub torr}/I{sub inj}). Some progress has been made to increase A{sub I} in SSPX (A{sub I} = 2.2), although the highest A{sub I} observed in a spheromak of 3 has yet to be beaten. We briefly review helicity injection as the paradigm for spheromak field generation. SSPX results show that the processes that give efficient injection of helicity are inductive, and that these processes rapidly terminate when the current path ceases to change. The inductive processes are subsequently replaced by ones that resistively dissipate the injected helicity. This result means that efficient helicity injection can be achieved by harnessing the inductive processes, possibly by pulsing the gun. A pulsed build-up scenario is presented which gives A{sub I} > 3 and emphasizes the need to maintain reasonable confinement while the field of the spheromak is being built.

  8. Molecular-level understanding of the carbonisation of polysaccharides.

    PubMed

    Shuttleworth, Peter S; Budarin, Vitaliy; White, Robin J; Gun'ko, Vladimir M; Luque, Rafael; Clark, James H

    2013-07-01

    Understanding of both the textural and functionality changes occurring during (mesoporous) polysaccharide carbonisation at the molecular level provides a deeper insight into the whole spectrum of material properties, from chemical activity to pore shape and surface energy, which is crucial for the successful application of carbonaceous materials in adsorption, catalysis and chromatography. Obtained information will help to identify the most appropriate applications of the carbonaceous material generated during torrefaction and different types of pyrolysis processes and therefore will be important for the development of cost- and energy-efficient zero-waste biorefineries. The presented approach is informative and semi-quantitative with the potential to be extended to the formation of other biomass-derived carbonaceous materials. PMID:23740856

  9. Effects of Context on Students' Molecular-Level Ideas

    ERIC Educational Resources Information Center

    Teichert, Melonie A.; Tien, Lydia T.; Anthony, Seth; Rickey, Dawn

    2008-01-01

    In the studies reported here, we investigate the effects of context on students' molecular-level ideas regarding aqueous solutions. During one-on-one interviews, 19 general chemistry students recruited from a two-year community college and a research university in the United States were asked to describe their molecular-level ideas about various…

  10. Opening up the Decision-Making Process through Shared Governance.

    ERIC Educational Resources Information Center

    Messina, Robert C., Jr.; And Others

    A formal governance system was adopted by the Board of Trustees in April 1991 at Burlington County College in New Jersey after the Commission on Higher Education and the Middle States Association of Colleges and Schools observed that it was lacking. The policy defines the path for maintaining a governance structure which fosters clear and timely…

  11. Cutinase: from molecular level to bioprocess development.

    PubMed

    Carvalho, C M; Aires-Barros, M R; Cabral, J M

    1999-01-01

    This review analyzes the role of cutinases in nature and their potential biotechnological applications. The cloning and expression of a fungal cutinase, Fusarium solani f. pisi, in Escherichia coli and Saccharomyces cerevisiae hosts are described. The three-dimensional structure of this cutinase is also analyzed and its function as a lipase is discussed and compared with other lipases. The biocatalytic applications of cutinase are described taking into account the preparation of different cutinase forms and the media in which the different types of reactions have been performed, namely hydrolysis, esterification, transesterification, and resolution of racemic mixtures. The stability of cutinase preparations is discussed and, in particular, the cutinase stability in anionic reversed micelles is analyzed considering the role of hexanol as a substrate, a cosurfactant, and a stabilizer. Process development, based on the operation of cutinase reactors, is also reviewed. PMID:10556791

  12. Understanding diseases at a molecular level

    SciTech Connect

    Rosev, Tatjana K

    2008-01-01

    A group of scientists at Los Alamos National Laboratory in 2008 successfully pioneered a microscope able to track protein-sized, hard to see particles in three dimensions. The 3D Tracking Microscope, designed and developed by James H. Werner, Guillaume A. Lessard, Nathan Wells and Peter M. Goodwin of LANL's Center for Integrated Nanotechnologies, won a 2008 R&D 100 award. The team's invention is a unique confocal 3D tracking microscope capable of following the motion of nanometer-sized objects, such as individual molecules, quantum dots, organic fluorophores and single green fluorescent proteins as they zoom through three-dimensional space at rates faster than many intracellular transport processes. The 3D tracking microscope can follow the transport of nanometer-sized particles at micrometer per second rates. This enables researchers to follow individual protein, ribonucleic acid (RNA), or deoxyribonucleic acid (DNA) motion throughout the full three-dimensional volume of a cell to discover the path a particular biomolecule takes, the method it employs to get there and the specific proteins it may be interacting with along the way. In addition to applications in molecular spectroscopy and materials research, the 3D tracking microscope is a powerful tool primarily in the fields of cellular biology and biomedical research, Werner said. 'The 3D tracking microscope will advance our understanding of the molecular basis and kinetics of many diseases, such as cancer, diabetes, or muscular dystrophy,' he said. 'We anticipate the microscope will become a valuable weapon in the arsenal of biomedical researchers who are fighting to find cures for cancer, heart disease and other protein or DNA-based diseases.'

  13. Molecular-level dynamics of refractory dissolved organic matter

    NASA Astrophysics Data System (ADS)

    Niggemann, J.; Gerdts, G.; Dittmar, T.

    2012-04-01

    Refractory dissolved organic matter (DOM) accounts for most of the global oceanic organic carbon inventory. Processes leading to its formation and factors determining its stability are still largely unknown. We hypothesize that refractory DOM carries a universal molecular signature. Characterizing spatial and temporal variability in this universal signature is a key to understanding dynamics of refractory DOM. We present results from a long-term study of the DOM geo-metabolome in the open North Sea. Geo-metabolomics considers the entity of DOM as a population of compounds, each characterized by a specific function and reactivity in the cycling of energy and elements. Ten-thousands of molecular formulae were identified in DOM by ultrahigh resolution mass spectrometry analysis (FT-ICR-MS, Fourier-Transform Ion Cyclotron Resonance Mass Spectrometry). The DOM pool in the North Sea was influenced by a complex interplay of processes that produced, transformed and degraded dissolved molecules. We identified a stable fraction in North Sea DOM with a molecular composition similar to deep ocean DOM. Molecular-level changes in this stable fraction provide novel information on dynamics and interactions of refractory DOM.

  14. Soy protein isolate molecular level contributions to bulk adhesive properties

    NASA Astrophysics Data System (ADS)

    Shera, Jeanne Norton

    Increasing environmental awareness and the recognized health hazards of formaldehyde-based resins has prompted a strong demand for environmentally-responsible adhesives for wood composites. Soy protein-based adhesives have been shown to be commercially viable with 90-day shelf stability and composite physical properties comparable to those of commercial formaldehyde-based particleboards. The main research focus is to isolate and characterize the molecular level features in soy protein isolate responsible for providing mechanical properties, storage stability, and water resistance during adhesive formulation, processing, and wood composite fabrication. Commercial composite board will be reviewed to enhance our understanding of the individual components and processes required for particleboard production. The levels of protein structure will be defined and an overview of current bio-based technology will be presented. In the process, the logic for utilizing soy protein as a sole binder in the adhesive will be reinforced. Variables such as adhesive components, pH, divalent ions, blend aging, protein molecular weight, formulation solids content, and soy protein functionalization will relate the bulk properties of soy protein adhesives to the molecular configuration of the soybean protein. This work has demonstrated that when intermolecular beta-sheet interactions and protein long-range order is disrupted, viscosity and mechanical properties decrease. Storage stability can be maintained through the stabilization of intermolecular beta-sheet interactions. When molecular weight is reduced through enzymatic digestion, long-range order is disrupted and viscosity and mechanical properties decrease accordingly. Processibility and physical properties must be balanced to increase solids while maintaining low viscosity, desirable mechanical properties, and adequate storage stability. The structure of the soybean protein must be related to the particleboard bulk mechanical

  15. Interfacial Phenomena: Linking Atomistic and Molecular Level Processes

    SciTech Connect

    Jay A Brandes

    2009-09-23

    This was a grant to support travel for scientists to present data and interact with others in their field. Specifically, speakers presented their data in a session entitled “Interfacial Phenomena: Linking Atomistic and Macroscopic Properties: Theoretical and Experimental Studies of the Structure and Reactivity of Mineral Surfaces”. The session ran across three ½ day periods, March 30-31 2004. The session’s organizers were David J. Wesolowski andGordon E. Brown Jr. There were a total of 30 talks presented.

  16. Reinventing Government? Perspectives on the Smart Start Implementation Process.

    ERIC Educational Resources Information Center

    Awsumb, Catherine

    Smart Start is a statewide initiative to ensure that all of North Carolina's children arrive at school healthy and ready to learn. A formative evaluation assessed, from the perspective of local participants in the original twelve Smart Start sites, how well these process goals are being met in the implementation process. Focus group and individual…

  17. AGU governance's decision-making process advances strategic plan

    NASA Astrophysics Data System (ADS)

    McPhaden, Michael; Finn, Carol; McEntee, Chris

    2012-10-01

    A lot has happened in a little more than 2 years, and we want give AGU members an update on how things are working under AGU's strategic plan and governance model. AGU is an organization committed to its strategic plan (http://www.agu.org/about/strategic_plan.shtml), and if you have not read the plan lately, we encourage you to do so. AGU's vision is to be an organization that "galvanizes a community of Earth and space scientists that collaboratively advances and communicates science and its power to ensure a sustainable future." We are excited about the progress we have made under this plan and the future course we have set for the Union. Everything the Board of Directors, Council, and committees put on their agendas is intended to advance AGU's strategic goals and objectives. Together with headquarters staff, these bodies are working in an integrated, effective manner to carry out this plan. The best way to demonstrate the progress made and each group's role is to walk through a recent example: the creation of a new Union-level award (see Figure 1).

  18. Trust in Numbers? Digital Education Governance and the Inspection Process

    ERIC Educational Resources Information Center

    Ozga, Jenny

    2016-01-01

    The aim of the paper is to contribute to the critical study of digital data use in education, through examination of the processes surrounding school inspection judgements. The interaction between pupil performance data and other (embodied, enacted) sources of inspection judgement is scrutinised and discussed with a focus on the interaction…

  19. 32 CFR 1904.3 - Procedures governing acceptance of service of process.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... INTELLIGENCE AGENCY PROCEDURES GOVERNING ACCEPTANCE OF SERVICE OF PROCESS § 1904.3 Procedures governing... addressed as follows: Litigation Division, Office of General Counsel, Central Intelligence Agency... Director and Deputy Director of Central Intelligence—in his or her individual capacity. (3) Mail...

  20. 32 CFR 1904.3 - Procedures governing acceptance of service of process.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... INTELLIGENCE AGENCY PROCEDURES GOVERNING ACCEPTANCE OF SERVICE OF PROCESS § 1904.3 Procedures governing... addressed as follows: Litigation Division, Office of General Counsel, Central Intelligence Agency... Director and Deputy Director of Central Intelligence—in his or her individual capacity. (3) Mail...

  1. 32 CFR 1904.3 - Procedures governing acceptance of service of process.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... INTELLIGENCE AGENCY PROCEDURES GOVERNING ACCEPTANCE OF SERVICE OF PROCESS § 1904.3 Procedures governing... addressed as follows: Litigation Division, Office of General Counsel, Central Intelligence Agency... Director and Deputy Director of Central Intelligence—in his or her individual capacity. (3) Mail...

  2. 32 CFR 1904.3 - Procedures governing acceptance of service of process.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... INTELLIGENCE AGENCY PROCEDURES GOVERNING ACCEPTANCE OF SERVICE OF PROCESS § 1904.3 Procedures governing... addressed as follows: Litigation Division, Office of General Counsel, Central Intelligence Agency... Director and Deputy Director of Central Intelligence—in his or her individual capacity. (3) Mail...

  3. 32 CFR 1904.3 - Procedures governing acceptance of service of process.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... INTELLIGENCE AGENCY PROCEDURES GOVERNING ACCEPTANCE OF SERVICE OF PROCESS § 1904.3 Procedures governing... addressed as follows: Litigation Division, Office of General Counsel, Central Intelligence Agency... Director and Deputy Director of Central Intelligence—in his or her individual capacity. (3) Mail...

  4. The Effects of Leadership and Governance Processes on Member Participation in Community Health Coalitions

    ERIC Educational Resources Information Center

    Metzger, Maureen E.; Alexander, Jeffrey A.; Weiner, Bryan J.

    2005-01-01

    This study examines the effects of coalition leadership and governance on member participation in voluntary community health coalitions. Path modeling was used to explore how leadership and governance processes in coalitions affect existing member costs, benefits, and levels of participation. It was hypothesized that the effects of coalition…

  5. 42 CFR 137.295 - May Self-Governance Tribes elect to develop their own environmental review process?

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 42 Public Health 1 2014-10-01 2014-10-01 false May Self-Governance Tribes elect to develop their... SELF-GOVERNANCE Construction Nepa Process § 137.295 May Self-Governance Tribes elect to develop their own environmental review process? Yes, Self-Governance Tribes may develop their own...

  6. 42 CFR 137.295 - May Self-Governance Tribes elect to develop their own environmental review process?

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 42 Public Health 1 2011-10-01 2011-10-01 false May Self-Governance Tribes elect to develop their... SELF-GOVERNANCE Construction Nepa Process § 137.295 May Self-Governance Tribes elect to develop their own environmental review process? Yes, Self-Governance Tribes may develop their own...

  7. 42 CFR 137.295 - May Self-Governance Tribes elect to develop their own environmental review process?

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 42 Public Health 1 2013-10-01 2013-10-01 false May Self-Governance Tribes elect to develop their... SELF-GOVERNANCE Construction Nepa Process § 137.295 May Self-Governance Tribes elect to develop their own environmental review process? Yes, Self-Governance Tribes may develop their own...

  8. 42 CFR 137.295 - May Self-Governance Tribes elect to develop their own environmental review process?

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 42 Public Health 1 2010-10-01 2010-10-01 false May Self-Governance Tribes elect to develop their... SELF-GOVERNANCE Construction Nepa Process § 137.295 May Self-Governance Tribes elect to develop their own environmental review process? Yes, Self-Governance Tribes may develop their own...

  9. 42 CFR 137.295 - May Self-Governance Tribes elect to develop their own environmental review process?

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 42 Public Health 1 2012-10-01 2012-10-01 false May Self-Governance Tribes elect to develop their... SELF-GOVERNANCE Construction Nepa Process § 137.295 May Self-Governance Tribes elect to develop their own environmental review process? Yes, Self-Governance Tribes may develop their own...

  10. The Governance of Higher Education Regionalisation: Comparative Analysis of the Bologna Process and MERCOSUR-Educativo

    ERIC Educational Resources Information Center

    Verger, Antoni; Hermo, Javier Pablo

    2010-01-01

    The article analyses two processes of higher education regionalisation, MERCOSUR-Educativo in Latin America and the Bologna Process in Europe, from a comparative perspective. The comparative analysis is centered on the content and the governance of both processes and, specifically, on the reasons of their uneven evolution and implementation. We…

  11. Feel Good--Be Good: Subject Content and Governing Processes in Physical Education

    ERIC Educational Resources Information Center

    Ohman, Marie; Quennerstedt, Mikael

    2008-01-01

    Background: In this paper a study of both subject "content" and governing "processes" in Swedish physical education is presented. The reason why an analysis of both content and processes is of special interest is that it makes it possible to understand the encounter between the institutional level and the practice of education. Purpose: The…

  12. Developing Partnerships To Meet Clients' Needs in Changing Government Organizations: A Consultative Process.

    ERIC Educational Resources Information Center

    Borgen, William A.

    2000-01-01

    Outlines the development of partnerships across three employment-related government ministries, in a context of organizational restructuring and downsizing. Describes a consultation process regarding effective collaboration to assess unemployed clients' employability needs. In meetings, the workers developed a process that involved the cooperation…

  13. Nanoparticles of copper stimulate angiogenesis at systemic and molecular level.

    PubMed

    Mroczek-Sosnowska, Natalia; Sawosz, Ewa; Vadalasetty, Krishna Prasad; Łukasiewicz, Monika; Niemiec, Jan; Wierzbicki, Mateusz; Kutwin, Marta; Jaworski, Sławomir; Chwalibog, André

    2015-01-01

    Copper is a key element affecting blood vessel growth and muscle development. However, the ions released from Cu salts are toxic. Given their specific physicochemical properties, nanoparticles of Cu (NanoCu) may have different bioactivity and affect the development of blood vessel and muscles in a different manner than Cu salts. The objective of the study was to evaluate the influence of NanoCu on embryo development and angiogenesis at the systemic and molecular level, in experiments using a chick embryo model. Fertilized chicken eggs were divided into a control group, and groups injected with a placebo, CuSO4 or NanoCu. Embryo development at the whole body level and molecular indices using an embryo chorioallantoic membrane model were measured during embryogenesis. The present study indicated for the first time that NanoCu have pro-angiogenic properties at the systemic level, to a greater degree than CuSO4 salt. The properties of NanoCu were confirmed at the molecular level, demonstrating significant effects on mRNA concentration and on mRNA gene expression of all pro-angiogenic and pro-proliferative genes measured herein. PMID:25741768

  14. Tear film lipid layer: A molecular level view.

    PubMed

    Cwiklik, Lukasz

    2016-10-01

    Human cornea is covered by an aqueous tear film, and the outermost layer of the tear film is coated by lipids. This so-called tear film lipid layer (TFLL) reduces surface tension of the tear film and helps with the film re-spreading after blinks. Alterations of tear lipids composition and properties are related to dry eye syndrome. Therefore, unveiling structural and functional properties of TFLL is necessary for understanding tear film function under both normal and pathological conditions. Key properties of TFLL, such as resistance against high lateral pressures and ability to spread at the tear film surface, are directly related to the chemical identity of TFLL lipids. Hence, a molecular-level description is required to get better insight into TFLL properties. Molecular dynamics simulations are particularly well suited for this task and they were recently used for investigating TFLL. The present review discusses molecular level organization and properties of TFLL as seen by these simulation studies. This article is part of a Special Issue entitled: Biosimulations edited by Ilpo Vattulainen and Tomasz Róg. PMID:26898663

  15. Molecular-level assemblies on metal oxide surfaces

    SciTech Connect

    Schoonover, J.R.; Bignozzi, C.; Meyer, T.

    1996-07-01

    This is the final report of a one-year, Laboratory-Directed Research and Development project at the Los Alamos National Laboratory (LANL). The objective of this project was to explore molecular-level assemblies based on polypyridyl transition metal complexes attached to metal oxide surfaces to provide the basis for applications such as energy conversion and electricity generation, photoremediation of hazardous waste, chemical sensors, and optical storage and photorefractive devices for communications and optical computing. We have elucidated the fundamental factors that determine the photochemistry and photophysics of a series of these photoactive inorganic complexes in solution and on metal oxide substrates by exploiting our unique transient laser capabilities. This data is being utilized to design and fabricate molecular-level photonic devices. The rich chemistry of transition metal polypyridyl complexes can be utilized to prepare molecular assemblies having well-defined redox or excited-state properties that can be finely tuned to produce desired materials properties. We plan to explore other novel applications such as photorefractive switches and optical sensors using this molecular engineering approach.

  16. Observation of molecular level behavior in molecular electronic junction device

    NASA Astrophysics Data System (ADS)

    Maitani, Masato

    In this dissertation, I utilize AFM based scanning probe measurement and surface enhanced Raman scattering based vibrational spectroscopic analysis to directly characterize topographic, electronic, and chemical properties of molecules confined in the local area of M3 junction to elucidate the molecular level behavior of molecular junction electronic devices. In the introduction, the characterization of molecular electronic devices with different types of metal-molecule-metal (M3) structures based upon self-assembled monolayers (SAMs) is reviewed. A background of the characterization methods I use in this dissertation, conducting probe atomic force microscopy (cp-AFM) and surface enhanced Raman spectroscopy (SERS), is provided in chapter 1. Several attempts are performed to create the ideal top metal contacts on SAMs by metal vapor phase deposition in order to prevent the metal penetration inducing critical defects of the molecular electronic devices. The scanning probe microscopy (SPM), such as cp-AFM, contact mode (c-) AFM and non-contact mode (nc-) AFM, in ultra high vacuum conditions are utilized to study the process of the metal-SAM interface construction in terms of the correlation between the morphological and electrical properties including the metal nucleation and filament generation as a function of the functionalization of long-chain alkane thiolate SAMs on Au. In chapter 2, the nascent condensation process of vapor phase Al deposition on inert and reactive SAMs are studied by SPM. The results of top deposition, penetration, and filament generation of deposited Al are discussed and compared to the results previously observed by spectroscopic measurements. Cp-AFM was shown to provide new insights into Al filament formation which has not been observed by conventional spectroscopic analysis. Additionally, the electronic characteristics of individual Al filaments are measured. Chapter 3 reveals SPM characterization of Au deposition onto --COOH terminated SAMs

  17. Reengineering business processes in government: A framework for performance improvement interventions

    SciTech Connect

    Montgomery, J.C.; Levine, L.O.; Carson, M.L.

    1995-02-01

    The world is changing quickly, and government agencies have difficulty adapting. One reason is that they are based on a bureaucratic model derived from the industrial mass production era. While this model provides organizational benefits, such as stability and clear lines of authority, it also minimizes flexibility and diversity in service delivery. While the private sector has moved away from this model, the public sector remains wedded to a top-down, standardized service delivery system. Dissatisfaction with the traditional model of government is rampant. Constituencies are demanding that government agencies consume less and provide more. There is tremendous pressure on government at all levels in the United States to improve the efficiency and effectiveness of government services and programs. Improving government agency performance is far more complex than simply reinventing or reengineering the agency for these efforts are likely to fail in procedural and copying agencies. The framework and decision process described in this paper should be used to prevent the high failure rates associated with blanket approaches to reengineering and reinventing. The best opportunities for change at the federal level are probably with agencies that have been mandated a change in mission. These agencies will tend to have a clearer sense of the need for change and have a greater sense of urgency regarding adopting a new way of conducting business. Also, for a higher rate of success, internal or external consultants may be utilized to avoid simplistic or faddish solutions when the real problems may be due to complex organizational behavior.

  18. Interfacial Reactivity of Radionuclides: Emerging Paradigms from Molecular Level Observations

    SciTech Connect

    Felmy, Andrew R.; Ilton, Eugene S.; Rosso, Kevin M.; Zachara, John M.

    2011-08-15

    Over the past few decades use of an increasing array of molecular-level analytical probes has provided new detailed insight into mineral and radionuclide interfacial reactivity in subsurface environments. This capability has not only helped change the way mineral surface reactivity is studied but also how field-scale contaminant migration problems are addressed and ultimately resolved. Here we overview examples of relatively new interfacial reactivity paradigms with implications for future research directions. Specific examples include understanding: the role of site-to-site electron conduction at mineral surfaces and through bulk mineral phases, effects of local chemical environment on the stability of intermediate species in oxidation/reduction reactions, and the importance of mechanistic reaction pathway for defining possible reaction products and thermodynamic driving force. The discussion also includes examples of how detailed molecular/microscopic characterization of field samples has changed the way complex contaminant migration problems were conceptualized and modeled.

  19. 47 CFR 22.959 - Rules governing processing of applications for initial systems.

    Code of Federal Regulations, 2011 CFR

    2011-10-01

    ... 47 Telecommunication 2 2011-10-01 2011-10-01 false Rules governing processing of applications for initial systems. 22.959 Section 22.959 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) COMMON CARRIER SERVICES PUBLIC MOBILE SERVICES Cellular Radiotelephone Service § 22.959 Rules...

  20. 47 CFR 22.959 - Rules governing processing of applications for initial systems.

    Code of Federal Regulations, 2012 CFR

    2012-10-01

    ... 47 Telecommunication 2 2012-10-01 2012-10-01 false Rules governing processing of applications for initial systems. 22.959 Section 22.959 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) COMMON CARRIER SERVICES PUBLIC MOBILE SERVICES Cellular Radiotelephone Service § 22.959 Rules...

  1. 47 CFR 22.959 - Rules governing processing of applications for initial systems.

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 47 Telecommunication 2 2010-10-01 2010-10-01 false Rules governing processing of applications for initial systems. 22.959 Section 22.959 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) COMMON CARRIER SERVICES PUBLIC MOBILE SERVICES Cellular Radiotelephone Service § 22.959 Rules...

  2. 47 CFR 22.959 - Rules governing processing of applications for initial systems.

    Code of Federal Regulations, 2014 CFR

    2014-10-01

    ... 47 Telecommunication 2 2014-10-01 2014-10-01 false Rules governing processing of applications for initial systems. 22.959 Section 22.959 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) COMMON CARRIER SERVICES PUBLIC MOBILE SERVICES Cellular Radiotelephone Service § 22.959 Rules...

  3. 47 CFR 22.959 - Rules governing processing of applications for initial systems.

    Code of Federal Regulations, 2013 CFR

    2013-10-01

    ... 47 Telecommunication 2 2013-10-01 2013-10-01 false Rules governing processing of applications for initial systems. 22.959 Section 22.959 Telecommunication FEDERAL COMMUNICATIONS COMMISSION (CONTINUED) COMMON CARRIER SERVICES PUBLIC MOBILE SERVICES Cellular Radiotelephone Service § 22.959 Rules...

  4. 32 CFR 1702.3 - Procedures governing acceptance of service of process.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... THE DIRECTOR OF NATIONAL INTELLIGENCE PROCEDURES GOVERNING THE ACCEPTANCE OF SERVICE OF PROCESS § 1702... Intelligence, Office of General Counsel, Washington, DC 20511, and the envelope must be conspicuously marked... capacity. Except for the DNI, the Principal Deputy Director of National Intelligence, and the Director...

  5. 32 CFR 1702.3 - Procedures governing acceptance of service of process.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... THE DIRECTOR OF NATIONAL INTELLIGENCE PROCEDURES GOVERNING THE ACCEPTANCE OF SERVICE OF PROCESS § 1702... Intelligence, Office of General Counsel, Washington, DC 20511, and the envelope must be conspicuously marked... capacity. Except for the DNI, the Principal Deputy Director of National Intelligence, and the Director...

  6. 32 CFR 1702.3 - Procedures governing acceptance of service of process.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... THE DIRECTOR OF NATIONAL INTELLIGENCE PROCEDURES GOVERNING THE ACCEPTANCE OF SERVICE OF PROCESS § 1702... Intelligence, Office of General Counsel, Washington, DC 20511, and the envelope must be conspicuously marked... capacity. Except for the DNI, the Principal Deputy Director of National Intelligence, and the Director...

  7. 32 CFR 1702.3 - Procedures governing acceptance of service of process.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... THE DIRECTOR OF NATIONAL INTELLIGENCE PROCEDURES GOVERNING THE ACCEPTANCE OF SERVICE OF PROCESS § 1702... Intelligence, Office of General Counsel, Washington, DC 20511, and the envelope must be conspicuously marked... capacity. Except for the DNI, the Principal Deputy Director of National Intelligence, and the Director...

  8. 32 CFR 1702.3 - Procedures governing acceptance of service of process.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... THE DIRECTOR OF NATIONAL INTELLIGENCE PROCEDURES GOVERNING THE ACCEPTANCE OF SERVICE OF PROCESS § 1702... Intelligence, Office of General Counsel, Washington, DC 20511, and the envelope must be conspicuously marked... capacity. Except for the DNI, the Principal Deputy Director of National Intelligence, and the Director...

  9. Finding and Tracing the Effects of Governance Processes in the New Opportunities Initiative: An Outline

    ERIC Educational Resources Information Center

    Marques, Marcelo

    2014-01-01

    Based on a Globally Structured Agenda for Education, this article presents the construction of the New Opportunities Initiative in Portugal. Thus, it analyses the relationship between the European Union and the Portuguese State with regard to the construction of this programme, identifying for this purpose the effects of governance processes.…

  10. Same Challenges, Different Processes: Perceptions on Governance Changes in Portuguese and Finnish Higher Education

    ERIC Educational Resources Information Center

    Diogo, Sara

    2015-01-01

    This article compares recent governance reforms in Finnish and Portuguese higher education (HE) systems and institutions (HEIs). Although Portugal and Finland differ significantly, both the countries have recently undertaken similar HE legislative reforms. This article analyses the contexts and implementation processes of these legal frameworks:…

  11. Status of Safeguards and Separations Model Development at Plant and Molecular Levels

    SciTech Connect

    de Almeida, Valmor F; Hay, Benjamin; DePaoli, David W

    2009-10-01

    A primary goal of the Safeguards and Separations IPSC effort is the development of process modeling tools that allow dynamic simulations of separations plant operations under various configurations and conditions, and integration of relevant safeguards analyses. A requirement of the effort is to develop codes on modern, expandable architectures, with flexibility to explore and evaluate a wide range of process options. During FY09, efforts at ORNL have been focused on two priority tasks toward achieving the IPSC goal: (1) a top-down exploration of architecture - Subtask 1: Explore framework for code development and integration for plant-level simulation; and (2) a bottom-up fundamental modeling effort - Subtask 2: Development of molecular-level agent design code. Subtask 1 is important because definition and development of architecture is a key issue for the overall effort, as selection of an overall approach and code/data requirements is a necessary first step in the organization, design and development of separations and safeguards codes that will be incorporated. The agent design effort of Subtask 2 is a molecular-level modeling effort that has a direct impact on a near-term issue of the Separations and Waste Forms Campaign. A current focus of experimental efforts is the development of robust agents and processes for separation of Am/Cm. Development of enhanced agent-design codes will greatly accelerate discovery and experimental testing.

  12. Quantitative analysis of molecular-level DNA crystal growth on a 2D surface

    PubMed Central

    Lee, Junwye; Hamada, Shogo; Hwang, Si Un; Amin, Rashid; Son, Junyoung; Dugasani, Sreekantha Reddy; Murata, Satoshi; Park, Sung Ha

    2013-01-01

    Crystallization is an essential process for understanding a molecule's aggregation behavior. It provides basic information on crystals, including their nucleation and growth processes. Deoxyribonucleic acid (DNA) has become an interesting building material because of its remarkable properties for constructing various shapes of submicron-scale DNA crystals by self-assembly. The recently developed substrate-assisted growth (SAG) method produces fully covered DNA crystals on various substrates using electrostatic interactions and provides an opportunity to observe the overall crystallization process. In this study, we investigated quantitative analysis of molecular-level DNA crystallization using the SAG method. Coverage and crystal size distribution were studied by controlling the external parameters such as monomer concentration, annealing temperature, and annealing time. Rearrangement during crystallization was also discussed. We expect that our study will provide overall picture of the fabrication process of DNA crystals on the charged substrate and promote practical applications of DNA crystals in science and technology. PMID:23817625

  13. What influences government adoption of vaccines in developing countries? A policy process analysis.

    PubMed

    Munira, Syarifah Liza; Fritzen, Scott A

    2007-10-01

    This paper proposes a framework for examining the process by which government consideration and adoption of new vaccines takes place, with specific reference to developing country settings. The cases of early Hepatitis B vaccine adoption in Taiwan and Thailand are used to explore the relevance of explanatory factors identified in the literature as well as the need to go beyond a variable-centric focus by highlighting the role of policy context and process in determining the pace and extent of adoption. The cases suggest the feasibility and importance of modeling 'causal diversity'-the complex set of necessary and sufficient conditions leading to particular decisional outcomes-in a broad range of country contexts. A better understanding of the lenses through which government decision-makers filter information, and of the arenas in which critical decisions are shaped and taken, may assist both analysts (in predicting institutionalization of new vaccines) and advocates (in crafting targeted strategies to accelerate their diffusion). PMID:17644230

  14. E-Government Goes Semantic Web: How Administrations Can Transform Their Information Processes

    NASA Astrophysics Data System (ADS)

    Klischewski, Ralf; Ukena, Stefan

    E-government applications and services are built mainly on access to, retrieval of, integration of, and delivery of relevant information to citizens, businesses, and administrative users. In order to perform such information processing automatically through the Semantic Web,1 machine-readable2 enhancements of web resources are needed, based on the understanding of the content and context of the information in focus. While these enhancements are far from trivial to produce, administrations in their role of information and service providers so far find little guidance on how to migrate their web resources and enable a new quality of information processing; even research is still seeking best practices. Therefore, the underlying research question of this chapter is: what are the appropriate approaches which guide administrations in transforming their information processes toward the Semantic Web? In search for answers, this chapter analyzes the challenges and possible solutions from the perspective of administrations: (a) the reconstruction of the information processing in the e-government in terms of how semantic technologies must be employed to support information provision and consumption through the Semantic Web; (b) the required contribution to the transformation is compared to the capabilities and expectations of administrations; and (c) available experience with the steps of transformation are reviewed and discussed as to what extent they can be expected to successfully drive the e-government to the Semantic Web. This research builds on studying the case of Schleswig-Holstein, Germany, where semantic technologies have been used within the frame of the Access-eGov3 project in order to semantically enhance electronic service interfaces with the aim of providing a new way of accessing and combining e-government services.

  15. 43 CFR 44.20 - How does the Department process payments to local governments whose jurisdictions contain...

    Code of Federal Regulations, 2010 CFR

    2010-10-01

    ... 43 Public Lands: Interior 1 2010-10-01 2010-10-01 false How does the Department process payments... Governments Containing Entitlement Lands § 44.20 How does the Department process payments to local governments... the agency administering the entitlement land; (2) Computes the amount of the payment disbursed...

  16. The Role of Contracts and Informal Relations in the Governance of IT Outsourcing Processes

    NASA Astrophysics Data System (ADS)

    Vaia, Giovanni; Tommasetti, Aurelio

    This paper aims to give a contribution to represent and comprehend the characteristics of the relationships between customers and providers in the specific context of IT services supply; furthermore it provides its peculiar perspective on the relationship between the formal governance, which is mostly realized through the use of contracts, and the informal relations based on trust and commitment between the parties. Moreover, the current study underlines that within contexts which are strongly based on the uncertain evolution both of market and technology, the governance of IT outsourcing processesneeds the development of complex informal relationships in support of the contracts. The study shows how it is possible to absorb the effects of the market and technology uncertainty within the IT outsourcing contracts. Moreover, the research shows how the use of dynamic contracting together with an explicit attention to the social processes can lead to remarkable operative and strategic benefits.

  17. Industry and government perspectives on First Nations' participation in the British Columbia environmental assessment process

    SciTech Connect

    Booth, Annie L. Skelton, Norm W.

    2011-04-15

    Research was conducted with West Moberly First Nations, Halfway First Nation and the Treaty 8 Tribal Association (located in northeastern British Columbia, Canada) on effective engagement in environmental assessment processes. As part of this research, we examined the perspectives of a subset of resource industry proponents and their consultants, as well as staff from the British Columbia Environmental Assessment Office on their experiences with the requirement to consult with Canada's indigenous peoples. Research into the perspectives of industry proponents and consultants is almost non-existent, yet industry and governments are key participants within environmental assessments. This research found that industry proponents were disenfranchised by the British Columbia environmental assessment process and its mechanisms for consulting with First Nations, and that they sought changes to that process. Their concerns and their implications are documented and some recommendations are offered for addressing those concerns. Understanding industry and government views on First Nations engagement could suggest not only potential improvements in EA processes that facilitate all parties but provide common grounds for mutually engaging to resolve challenges.

  18. Health workforce governance: Processes, tools and actors towards a competent workforce for integrated health services delivery.

    PubMed

    Barbazza, Erica; Langins, Margrieta; Kluge, Hans; Tello, Juan

    2015-12-01

    A competent health workforce is a vital resource for health services delivery, dictating the extent to which services are capable of responding to health needs. In the context of the changing health landscape, an integrated approach to service provision has taken precedence. For this, strengthening health workforce competencies is an imperative, and doing so in practice hinges on the oversight and steering function of governance. To aid health system stewards in their governing role, this review seeks to provide an overview of processes, tools and actors for strengthening health workforce competencies. It draws from a purposive and multidisciplinary review of literature, expert opinion and country initiatives across the WHO European Region's 53 Member States. Through our analysis, we observe distinct yet complementary roles can be differentiated between health services delivery and the health system. This understanding is a necessary prerequisite to gain deeper insight into the specificities for strengthening health workforce competencies in order for governance to rightly create the institutional environment called for to foster alignment. Differentiating between the contribution of health services and the health system in the strengthening of health workforce competencies is an important distinction for achieving and sustaining health improvement goals. PMID:26489924

  19. A Conceptual E-Governance Framework for Improving Child Immunization Process in India

    NASA Astrophysics Data System (ADS)

    Kumar, Puneet; Kumar, Dharminder

    2013-05-01

    India is country having high population and great variations in the educational level, economic conditions, population densities, cultures and awareness levels. Due to these variations the immunization process is not so much successful as per expectations of the state and central governments. In some zones the significant amount of vaccines are wasted whereas some are running out of vaccines. One of the reasons for such an imbalance is improper quantity estimation of vaccines in a particular zone. Further a huge amount of liquidity will be wasted in the form of vaccines. If we inculcate ICT (Information and Communication Technology) in the process of immunization then the problem can be rectified to some extent and hence we are proposing a conceptual model using ICT to improve the process of vaccination.

  20. Deterministic assembly processes govern bacterial community structure in the Fynbos, South Africa.

    PubMed

    Moroenyane, I; Chimphango, S B M; Wang, J; Kim, H-K; Adams, Jonathan Miles

    2016-08-01

    The Mediterranean Fynbos vegetation of South Africa is well known for its high levels of diversity, endemism, and the existence of very distinct plant communities on different soil types. Studies have documented the broad taxonomic classification and diversity patterns of soil microbial diversity, but none has focused on the community assembly processes. We hypothesised that bacterial phylogenetic community structure in the Fynbos is highly governed by deterministic processes. We sampled soils in four Fynbos vegetation types and examined bacterial communities using Illumina HiSeq platform with the 16S rRNA gene marker. UniFrac analysis showed that the community clustered strongly by vegetation type, suggesting a history of evolutionary specialisation in relation to habitats or plant communities. The standardised beta mean nearest taxon distance (ses. β NTD) index showed no association with vegetation type. However, the overall phylogenetic signal indicates that distantly related OTUs do tend to co-occur. Both NTI (nearest taxon index) and ses. β NTD deviated significantly from null models, indicating that deterministic processes were important in the assembly of bacterial communities. Furthermore, ses. β NTD was significantly higher than that of null expectations, indicating that co-occurrence of related bacterial lineages (over-dispersion in phylogenetic beta diversity) is determined by the differences in environmental conditions among the sites, even though the co-occurrence pattern did not correlate with any measured environmental parameter, except for a weak correlation with soil texture. We suggest that in the Fynbos, there are frequent shifts of niches by bacterial lineages, which then become constrained and evolutionary conserved in their new environments. Overall, this study sheds light on the relative roles of both deterministic and neutral processes in governing bacterial communities in the Fynbos. It seems that deterministic processes play a major

  1. Observing phthalate leaching from plasticized polymer films at the molecular level.

    PubMed

    Zhang, Xiaoxian; Chen, Zhan

    2014-05-01

    Phthalates, the most widely used plasticizers in poly(vinyl chloride) (PVC), have been extensively studied. In this paper, a highly sensitive, easy, and effective method was developed to examine short-term phthalate leaching from PVC/phthalate films at the molecular level using sum frequency generation vibrational spectroscopy (SFG). Combining SFG and Fourier transform infrared spectroscopy (FTIR), surface and bulk molecular structures of PVC/phthalate films were also comprehensively evaluated during the phthalate leaching process under various environments. The leaching processes of two phthalates, diethyl phthalate (DEP) and dibutyl phthalate (DBP), from the PVC/phthalate films with various weight ratios were studied. Oxygen plasma was applied to treat the PVC/phthalate film surfaces to verify its efficacy on preventing/reducing phthalate leaching from PVC. Our results show that DBP is more stable than DEP in PVC/phthalate films. Even so, DBP molecules were still found to very slowly leach to the environment from PVC at 30 °C, at a rate much slower than DEP. Also, the bulk DBP content substantially influences the DBP leaching. Higher DBP bulk concentration yields less stable DBP molecules in the PVC matrix, allowing molecules to leach from the polymer film more easily. Additionally, DBP leaching is very sensitive to temperature changes; higher temperature can strongly enhance the leaching process. For most cases, the oxygen plasma treatment can effectively prevent phthalate leaching from PVC films (e.g., for samples with low bulk concentrations of DBP-5 and 30 wt %). It is also capable of reducing phthalate leaching from high DBP bulk concentration PVC samples (e.g., 70 wt % DBP in PVC/DBP mixture). This research develops a highly sensitive method to detect chemicals at the molecular level as well as provides surface and bulk molecular structural changes. The method developed here is general and can be applied to detect small amounts of chemical

  2. Molecular-level Design of Heterogeneous Chiral Catalysts

    SciTech Connect

    Gellman, Andrew John; Sholl, David S.; Tysoe, Wilfred T.; Zaera, Francisco

    2013-04-28

    Understanding and controlling selectivity is one of the key challenges in heterogeneous catalysis. Among problems in catalytic selectivity enantioselectivity is perhaps the most the most challenging. The primary goal of the project on “Molecular-level Design of Heterogeneous Chiral Catalysts” is to understand the origins of enantioselectivity on chiral heterogeneous surfaces and catalysts. The efforts of the project team include preparation of chiral surfaces, characterization of chiral surfaces, experimental detection of enantioselectivity on such surfaces and computational modeling of the interactions of chiral probe molecules with chiral surfaces. Over the course of the project period the team of PI’s has made some of the most detailed and insightful studies of enantioselective chemistry on chiral surfaces. This includes the measurement of fundamental interactions and reaction mechanisms of chiral molecules on chiral surfaces and leads all the way to rationale design and synthesis of chiral surfaces and materials for enantioselective surface chemistry. The PI’s have designed and prepared new materials for enantioselective adsorption and catalysis. Naturally Chiral Surfaces • Completion of a systematic study of the enantiospecific desorption kinetics of R-3-methylcyclohexanone (R-3-MCHO) on 9 achiral and 7 enantiomeric pairs of chiral Cu surfaces with orientations that span the stereographic triangle. • Discovery of super-enantioselective tartaric acid (TA) and aspartic acid (Asp) decomposition as a result of a surface explosion mechanism on Cu(643)R&S. Systematic study of super-enantiospecific TA and Asp decomposition on five enantiomeric pairs of chiral Cu surfaces. • Initial observation of the enantiospecific desorption of R- and S-propylene oxide (PO) from Cu(100) imprinted with {3,1,17} facets by L-lysine adsorption. Templated Chiral Surfaces • Initial observation of the enantiospecific desorption of R- and S-PO from Pt(111) and Pd(111

  3. Fibrin-based biomaterials: Modulation of macroscopic properties through rational design at the molecular level

    PubMed Central

    Brown, Ashley C.; Barker, Thomas H.

    2013-01-01

    Fibrinogen is one of the primary components of the coagulation cascade and rapidly forms an insoluble matrix following tissue injury. In addition to its important role in hemostasis, fibrin acts as a scaffold for tissue repair and provides important cues for directing cell phenotype following injury. Because of these properties and the ease of polymerization of the material, fibrin has been widely utilized as a biomaterial for over a century. Modifying the macroscopic properties of fibrin, such as elasticity and porosity, has been somewhat elusive until recently, yet with a molecular-level rational design approach can now be somewhat easily modified through alterations of molecular interactions key to the protein’s polymerization process. This review outlines the biochemistry of fibrin and discusses methods for modification of molecular interactions and their application to fibrin based biomaterials. PMID:24056097

  4. Protein Fibrillar Nanopolymers: Molecular-Level Insights into Their Structural, Physical and Mechanical Properties

    NASA Astrophysics Data System (ADS)

    Trusova, Valeriya M.

    2015-09-01

    Amyloid fibrils represent a generic class of mechanically strong and stable biomaterials with extremely advantageous properties. Although amyloids were initially associated only with severe neurological disorders, the role of these structures nowadays is shifting from health debilitating to highly beneficial both in biomedical and technological aspects. Intensive involvement of fibrillar assemblies into the wide range of pathogenic and functional processes strongly necessitate the molecular level characterization of the structural, physical and elastic features of protein nanofibrils. In the present contribution, we made an attempt to highlight the up-to-date progress in the understanding of amyloid properties from the polymer physics standpoint. The fundamental insights into protein fibril behavior are essential not only for development of therapeutic strategies to combat the protein misfolding disorders but also for rational and precise design of novel biodegradable protein-based nanopolymers.

  5. Biogeochemical processes governing natural pyrite oxidation and release of acid metalliferous drainage.

    PubMed

    Chen, Ya-ting; Li, Jin-tian; Chen, Lin-xing; Hua, Zheng-shuang; Huang, Li-nan; Liu, Jun; Xu, Bi-bo; Liao, Bin; Shu, Wen-sheng

    2014-05-20

    The oxidative dissolution of sulfide minerals (principally pyrite) is responsible for the majority of acid metalliferous drainage from mine sites, which represents a significant environmental problem worldwide. Understanding the complex biogeochemical processes governing natural pyrite oxidation is critical not only for solving this problem but also for understanding the industrial bioleaching of sulfide minerals. To this end, we conducted a simulated experiment of natural pyrite oxidative dissolution. Pyrosequencing analysis of the microbial community revealed a distinct succession across three stages. At the early stage, a newly proposed genus, Tumebacillus (which can use sodium thiosulfate and sulfite as the sole electron donors), dominated the microbial community. At the midstage, Alicyclobacillus (the fifth most abundant genus at the early stage) became the most dominant genus, whereas Tumebacillus was still ranked as the second most abundant. At the final stage, the microbial community was dominated by Ferroplasma (the tenth most abundant genus at the early stage). Our geochemical and mineralogical analyses indicated that exchangeable heavy metals increased as the oxidation progressed and that some secondary sulfate minerals (including jarosite and magnesiocopiapite) were formed at the final stage of the oxidation sequence. Additionally, we propose a comprehensive model of biogeochemical processes governing the oxidation of sulfide minerals. PMID:24730689

  6. Molecular-level modeling of the viscoelasticity of crosslinked polymers: Effect of time and temperature

    SciTech Connect

    Simon, P.P.; Ploehn, H.J.

    1997-05-01

    We present a new molecular-level picture of chain dynamics for describing the viscoelasticity of crosslinked polymers. The associated mathematical model consists of a time-dependent momentum balance on a representative polymer segment in the crosslinked network, plus phenomenological expressions for forces acting on the segments. These include a cohesive force that accounts for intermolecular attraction, an entropic force describing the thermodynamics governing chain conformations, and a frictional force that captures the temperature dependence of relative chain motion. We treat the case of oscillatory uniaxial deformation. Solution of the model equations in the frequency domain yields the dynamic moduli as functions of temperature and frequency. The model reproduces all of the qualitative features of experimental dynamic modulus data across the complete spectrum of time and temperature, spanning the glassy zone, the {beta} transition, the dynamic glass transition, and the rubbery zone. All of the model parameters can be evaluated through the use of independent experimental data. Comparison of model predictions with experimental data yields good quantitative agreement outside of the glass transition region. {copyright} {ital 1997 Society of Rheology.}

  7. Molecular level water and solute transport in reverse osmosis membranes

    NASA Astrophysics Data System (ADS)

    Lueptow, Richard M.; Shen, Meng; Keten, Sinan

    2015-11-01

    The water permeability and rejection characteristics of six solutes, methanol, ethanol, 2-propanol, urea, Na+, and Cl-, were studied for a polymeric reverse osmosis (RO) membrane using non-equilibrium molecular dynamics simulations. Results indicate that water flux increases with an increasing fraction of percolated free volume in the membrane polymer structure. Solute molecules display Brownian motion and hop from pore to pore as they pass through the membrane. The solute rejection depends on both the size of the solute molecule and the chemical interaction of the solute with water and the membrane. When the open spaces in the polymeric structure are such that solutes have to shed at least one water molecule from their solvation shell to pass through the membrane molecular structure, the water-solute pair interaction energy governs solute rejection. Organic solutes more easily shed water molecules than ions to more readily pass through the membrane. Hydrogen-bonding sites for molecules like urea also lead to a higher rejection. These findings underline the importance of the solute's solvation shell and solute-water-membrane chemistry in solute transport and rejection in RO membranes. Funded by the Institute for Sustainability and Energy at Northwestern with computing resources from XSEDE (NSF grant ACI-1053575).

  8. Processes and their explanatory factors governing distribution of organic phosphorous pools in lake sediments.

    PubMed

    Lü, Changwei; He, Jiang; Zuo, Le; Vogt, Rolf D; Zhu, Liang; Zhou, Bin; Mohr, Christian W; Guan, Rui; Wang, Weiying; Yan, Daohao

    2016-02-01

    The amount of organic phosphorus (OP) and its distribution among different pools in lake sediments depends on biotic and abiotic processes driving the OP fractionation. Key environmental factors governing these transformations processes between OP fractionations in sediments were studied on the basis of geochemical characteristics of OP pools in relation to environmental factors in the sediments. The results illustrate that the factors influencing the accumulation or depletion of different OP pools were intrinsically dependent on the composition of the deposited organic matter (OM). During the mineralization of the OM the microorganisms excrete the enzyme alkaline phosphatase, accelerating the OP hydrolysis, and thereby setting the grounds for the bacterially-mediated oxidation of OM. There are two main degradation products of the labile OP pool (LOP) and the moderately labile OP pool (MLOP): Either the OP is transformed to a dissolved organic or inorganic P form, and thereby released to water column, or OP is transformed to a non-labile OP pool and stored in the sediments. A comparative study showed that oxy-hydroxides of iron (Fe) and aluminum (Al) only played an important role in influencing OP fractionation in Lake Wuliangsuhai, while the complexation reactions of OP with calcium ions and sorption to its minerals are key factors governing the OP fractionation in the two alkaline lakes. It is worth noting that a significant correlation between the Fe-P pool and the pools of LOP and MLOP indicates that the degradation of the rather labile OP pools are highly dependent on the iron redox reaction. PMID:26688248

  9. The impact of health system governance and policy processes on health services in Iraqi Kurdistan

    PubMed Central

    2010-01-01

    Background Relative to the amount of global attention and media coverage since the first and second Gulf Wars, very little has been published in the health services research literature regarding the state of health services in Iraq, and particularly on the semi-autonomous region of Kurdistan. Building on findings from a field visit, this paper describes the state of health services in Kurdistan, analyzes their underlying governance structures and policy processes, and their overall impact on the quality, accessibility and cost of the health system, while stressing the importance of reinvesting in public health and community-based primary care. Discussion Very little validated, research-based data exists relating to the state of population health and health services in Kurdistan. What little evidence exists, points to a region experiencing an epidemiological polarization, with different segments of the population experiencing rapidly-diverging rates of morbidity and mortality related to different etiological patterns of communicable, non-communicable, acute and chronic illness and disease. Simply put, the rural poor suffer from malnutrition and cholera, while the urban middle and upper classes deal with issues of obesity and Type 2 diabetes. The inequity is exacerbated by a poorly governed, fragmented, unregulated, specialized and heavily privatized system, that not only leads to poor quality of care and catastrophic health expenditures, but also threatens the economic and political stability of the region. There is an urgent need to revisit and clearly define the core values and goals of a future health system, and to develop an inclusive governance and policy framework for change, towards a more equitable and effective primary care-based health system, with attention to broader social determinants of health and salutogenesis. Summary This paper not only frames the situation in Kurdistan in terms of a human rights or special political issue of a minority population

  10. Extended principle component analysis - a useful tool to understand processes governing water quality at catchment scales

    NASA Astrophysics Data System (ADS)

    Selle, B.; Schwientek, M.

    2012-04-01

    Water quality of ground and surface waters in catchments is typically driven by many complex and interacting processes. While small scale processes are often studied in great detail, their relevance and interplay at catchment scales remain often poorly understood. For many catchments, extensive monitoring data on water quality have been collected for different purposes. These heterogeneous data sets contain valuable information on catchment scale processes but are rarely analysed using integrated methods. Principle component analysis (PCA) has previously been applied to this kind of data sets. However, a detailed analysis of scores, which are an important result of a PCA, is often missing. Mathematically, PCA expresses measured variables on water quality, e.g. nitrate concentrations, as linear combination of independent, not directly observable key processes. These computed key processes are represented by principle components. Their scores are interpretable as process intensities which vary in space and time. Subsequently, scores can be correlated with other key variables and catchment characteristics, such as water travel times and land use that were not considered in PCA. This detailed analysis of scores represents an extension of the commonly applied PCA which could considerably improve the understanding of processes governing water quality at catchment scales. In this study, we investigated the 170 km2 Ammer catchment in SW Germany which is characterised by an above average proportion of agricultural (71%) and urban (17%) areas. The Ammer River is mainly fed by karstic springs. For PCA, we separately analysed concentrations from (a) surface waters of the Ammer River and its tributaries, (b) spring waters from the main aquifers and (c) deep groundwater from production wells. This analysis was extended by a detailed analysis of scores. We analysed measured concentrations on major ions and selected organic micropollutants. Additionally, redox-sensitive variables

  11. 17 CFR 240.15Ca2-5 - Consent to service of process to be furnished by non-resident government securities brokers or...

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 17 Commodity and Securities Exchanges 3 2012-04-01 2012-04-01 false Consent to service of process to be furnished by non-resident government securities brokers or government securities dealers and by non-resident general partners or managing agents of government securities brokers or government securities dealers. 240.15Ca2-5 Section...

  12. Molecular-level tradeoffs and metabolic adaptation to simultaneous stressors

    PubMed Central

    Carlson, Ross P.; Taffs, Reed L.

    2010-01-01

    Summary Life is a dynamic process driven by the complex interplay between physical constraints and selection pressures, ranging from nutrient limitation to inhibitory substances to predators. These stressors are not mutually exclusive; microbes have faced concurrent challenges for eons. Genome-enabled systems biology approaches are adapting economic and ecological concepts like tradeoff curves and strategic resource allocation theory to analyze metabolic adaptations to simultaneous stressors. These methodologies can accurately describe and predict metabolic adaptations to concurrent stresses by considering the tradeoff between investment of limiting resources into enzymatic machinery and the resulting cellular function. The approaches represent promising links between computational biology and well established economic and ecological methodologies for analyzing the interplay between physical constraints and microbial fitness. PMID:20637598

  13. Improving Molecular Level Chemical Speciation of Organic Aerosols

    NASA Astrophysics Data System (ADS)

    Worton, D. R.; Decker, M.; Isaacman, G. A.; Chan, A.; Wilson, K. R.; Goldstein, A. H.

    2013-12-01

    A substantial fraction of fine mode aerosols are organic with the majority formed in the atmosphere through oxidation of gas phase compounds emitted from a variety of natural and man-made sources. As a result, organic aerosols are comprised of thousands of individual organic species whose complexity increases exponentially with carbon number and degree of atmospheric oxidation. Chemical characterization of individual compounds present in this complex mixture provides information on sources and transformation processes that are critical for apportioning organic carbon from an often convoluted mixture of sources and to constrain oxidation mechanisms needed for atmospheric models. These compounds also affect the physical and optical properties of the aerosol but the vast majority remain unidentified and missing from published mass spectral libraries because of difficulties in separating and identifying them. We have developed improved methodologies for chemical identification in order to better understand complex environmental mixtures. Our approach has been to combine two-dimensional gas chromatography with high resolution time of flight mass spectrometry (GC×GC-HRTOFMS) and both traditional electron ionization (EI) and vacuum ultraviolet (VUV) photoionization. GC×GC provides improved separation of individual compounds over traditional one dimensional GC and minimizes co-elution of peaks resulting in mass spectra that are virtually free of interferences. VUV ionization is a ';soft' ionization technique that reduces fragmentation and enhances the abundance of the parent or molecular ion, which when combined with high resolution mass spectrometry can provide molecular formulas for chromatographic peaks. We demonstrate our methodology by applying it to identify more than 500 individual compounds in aerosol filter samples collected at Blodgett Forest, a rural site in the Sierra Nevada Mountains. Using the EI NIST mass spectral library and molecular formulas determined

  14. Design strategies for the molecular level synthesis of supported catalysts.

    PubMed

    Wegener, Staci L; Marks, Tobin J; Stair, Peter C

    2012-02-21

    -resolution solid state NMR, UV-visible diffuse reflectance (DRS), UV-Raman, and X-ray absorption spectroscopies to characterize supported catalysts. We demonstrate that it is possible to tailor and isolate defined surface species using a molecularly oriented approach. We anticipate that advances in catalyst design and synthesis will lead to a better understanding of catalyst structure and function and, thus, to advances in existing catalytic processes and the development of new technologies. PMID:22004451

  15. Atmospheric processes governing the changes in water isotopologues during ENSO events from model and satellite measurements

    NASA Astrophysics Data System (ADS)

    Sutanto, S. J.; Hoffmann, G.; Worden, J.; Scheepmaker, R. A.; Aben, I.; Röckmann, T.

    2015-07-01

    ENSO (El Niño-Southern Oscillation) has profound effects on the global water cycle, which can be examined at the process level by investigating the associated water isotopologues. Many isotope-based studies are aimed at understanding ENSO variability in the tropics, however, focusing principally on near-surface processes and isotopologue signals. The goal of the present study is to investigate the atmospheric processes governing the changes in the isotopic composition of water vapor both near the surface and at midtroposphere in the Pacific region during ENSO events, using a combination of remote sensing data and model simulations. For the lower atmosphere (i.e., 1000 hPa), our results show that rainout processes, less rain reevaporation of falling droplets, and increase of convective updrafts and diffusive exchange within the convective systems contribute to "the isotope amount effect" and isotopically deplete the water vapor during wet conditions, in agreement with previous studies. However, we find that the ENSO-associated isotopic signal in the midtroposphere (i.e., 500 hPa) diverges from the near-surface response. Analysis suggests that transport of enriched water vapor from lower atmospheric layers through convective updrafts controls the enrichment of midtropospheric water vapor over the Pacific Ocean. In the observations, a strong positive correlation between the increase of convective precipitation and the isotopic composition of water vapor clearly points to such a mechanism (R of 0.7-0.8 in the Central Pacific and 0.5-0.6 in the West Pacific). Model results confirm this mechanisms though producing slightly lower correlation values, with R values of 0.6 in the Central Pacific and 0.5 in the West Pacific. However, the distinction between convective and stratiform precipitation remains a result of model-dependent parameterization. Our analysis suggests that two issues should be investigated in more detail in further studies: (1) the equilibrium and

  16. Molecular-Level Design of Heterogeneous Chiral Catalysis

    SciTech Connect

    Francisco Zaera

    2012-03-21

    , and the development of ways to imprint chiral centers on achiral solid surfaces. Chiral catalysis is not only a problem of great importance in its own right, but also the ultimate test of how to control selectivity in catalysis. The time is ripe for fundamental work in heterogeneous chiral catalysis to provide the U.S. with a leadership role in developing the next generation of catalytic processes for medicinal and agrochemical manufacturing. Our team provides the required expertise for a synergistic and comprehensive integration of physical and chemical experimentation with solid state and molecular reactivity theories to solve this problem.

  17. Full Text Information Retrieval Software for Use in Government Administration (A Selection Procedure and Process).

    ERIC Educational Resources Information Center

    Silbergeld, Israel; Reginiano-Peterson, Naomi

    1987-01-01

    A project involving selection procedures for choosing full-text information retrieval software for government administration-oriented applications and users was undertaken by an Israeli government-owned computer company. A case study and comparison of six software systems were done and a list of 27 selection criteria compiled. (Author/EM)

  18. Molecular-Level Insights into Photocatalysis from Scanning Probe Microscopy Studies on TiO2(110)

    SciTech Connect

    Henderson, Michael A.; Lyubinetsky, Igor

    2013-06-12

    The field of heterogeneous photocatalysis has grown considerably in the decades since Fujishima and Honda's ground-breaking publications of photoelectrochemistry on TiO2. Numerous review articles continue to point to both progress made in the use of heterogeneous materials (such as TiO2) to perform photoconversion processes, and the many opportunities and challenges in heterogeneous photocatalysis research such as solar energy conversion and environmental remediation. The past decade has also seen an increase in the use of molecular-level approaches applied to model single crystal surfaces in an effort to obtain new insights into photocatalytic phenomena. In particular, scanning probe techniques (SPM) have enabled researchers to take a ‘nanoscale’ approach to photocatalysis that includes interrogation of the reactivities of specific sites and adsorbates on a model photocatalyst surface. The rutile TiO2(110) surface has become the prototypical oxide single crystal surface for fundamental studies of many interfacial phenomena. In particular, TiO2(110) has become an excellent model surface for probing photochemical and photocatalytic reactions at the molecular level. A variety of experimental approaches have emerged as being ideally suited for studying photochemical reactions on TiO2(110), including desorption-oriented approaches and electronic spectroscopies, but perhaps the most promising techniques for evaluating site-specific properties are those of SPM. In this review, we highlight the growing use of SPM techniques in providing molecular-level insights into surface photochemistry on the model photocatalyst surface of rutile TiO2(110). Our objective is to both illustrate the unique knowledge that scanning probe techniques have already provided the field of photocatalysis, and also to motivate a new generation of effort into the use of such approaches to obtain new insights into the molecular level details of photochemical events occurring at interfaces

  19. The Building Blocks of Materials: Gathering Knowledge at the Molecular Level

    NASA Technical Reports Server (NTRS)

    2003-01-01

    Two start-up positions were created within SD46 to pursue developments in the rapidly expanding areas of biomineralization and nano-technology. As envisioned by Dr. Sandor Lehoczy, the new laboratories to be developed must have the capacity to investigate not only processes associated with the self-assembly of molecules but also the examination of self-assembled structures. For these purposes, laboratories capable of performing the intended function, particularly light scattering spectroscopy and atomic force microscopy were created. What follows then are recent advances arising from the development of these new laboratories. With the implementation of the Atomic Force Microscopy Facility, examples of investigations that determine a correlation between the molecular structure of materials and their macroscopic physical properties are provided. In addition, examples of investigations with particular emphasis on the physical properties of protein crystals, at the molecular level, and subsequent macroscopic characteristics are as provided. Finally, progress in fabrication of technology at the nano-scale levels at the developmental stage is also presented.

  20. Role of University-Industry-Government Linkages in the Innovation Processes of a Small Catching-Up Economy

    ERIC Educational Resources Information Center

    Varblane, Urmas; Mets, Tonis; Ukrainski, Kadri

    2008-01-01

    During the transformation process from a command economy, the extraordinary statist university-industry-government (UIG) linkages model was replaced by an extreme version of laissez-faire relationships. A more modern interaction-based UIG model could be implemented only by changing the whole national innovation system of catching-up economies. The…

  1. Molecular-Level Simulations of Shock Generation and Propagation in Soda-Lime Glass

    NASA Astrophysics Data System (ADS)

    Grujicic, M.; Bell, W. C.; Pandurangan, B.; Cheeseman, B. A.; Fountzoulas, C.; Patel, P.

    2012-08-01

    A non-equilibrium molecular dynamics method is employed to study the mechanical response of soda-lime glass (a material commonly used in transparent armor applications) when subjected to the loading conditions associated with the generation and propagation of planar shock waves. Specific attention is given to the identification and characterization of various (inelastic-deformation and energy-dissipation) molecular-level phenomena and processes taking place at, or in the vicinity of, the shock front. The results obtained revealed that the shock loading causes a 2-4% (shock strength-dependent) density increase. In addition, an increase in the average coordination number of the silicon atoms is observed along with the creation of smaller Si-O rings. These processes are associated with substantial energy absorption and dissipation and are believed to greatly influence the blast/ballistic impact mitigation potential of soda-lime glass. The present work was also aimed at the determination of the shock Hugoniot (i.e., a set of axial stress vs. density/specific-volume vs. internal energy vs. particle velocity vs. temperature) material states obtained in soda-lime glass after the passage of a shock wave of a given strength (as quantified by the shock speed). The availability of a shock Hugoniot is critical for construction of a high deformation-rate, large-strain, high pressure material model which can be used within a continuum-level computational analysis to capture the response of a soda-lime glass based laminated transparent armor structure (e.g., a military vehicle windshield, door window, etc.) to blast/ballistic impact loading.

  2. Identifying Enclosed Chemical Reaction and Dynamics at the Molecular Level Using Shell-Isolated Miniaturized Plasmonic Liquid Marble.

    PubMed

    Han, Xuemei; Lee, Hiang Kwee; Lee, Yih Hong; Hao, Wei; Liu, Yejing; Phang, In Yee; Li, Shuzhou; Ling, Xing Yi

    2016-04-21

    Current microscale tracking of chemical kinetics is limited to destructive ex situ methods. Here we utilize Ag nanocube-based plasmonic liquid marble (PLM) microreactor for in situ molecular-level identification of reaction dynamics. We exploit the ultrasensitive surface-enhanced Raman scattering (SERS) capability imparted by the plasmonic shell to unravel the mechanism and kinetics of aryl-diazonium surface grafting reaction in situ, using just a 2-μL reaction droplet. This reaction is a robust approach to generate covalently functionalized metallic surfaces, yet its kinetics remain unknown to date. Experiments and simulations jointly uncover a two-step sequential grafting process. An initial Langmuir chemisorption of sulfonicbenzene diazonium (dSB) salt onto Ag surfaces forms an intermediate sulfonicbenzene monolayer (Ag-SB), followed by subsequent autocatalytic multilayer growth of Ag-SB3. Kinetic rate constants reveal 19-fold faster chemisorption than multilayer growth. Our ability to precisely decipher molecular-level reaction dynamics creates opportunities to develop more efficient processes in synthetic chemistry and nanotechnology. PMID:27050645

  3. Acquisition and Use of Software Products for Automatic Data Processing Systems in the Federal Government.

    ERIC Educational Resources Information Center

    Comptroller General of the U.S., Washington, DC.

    A description and analysis of numerous management problems pertaining to the substantial annual expenditures of the Government for computer software products together with recommendations to executive branch agencies for strengthening management practices are presented in this report. Appendix I provides an overview of the growth in use of (ADP)…

  4. Some Thoughts about Molecular-Level Representations in Conceptual Problem Solving.

    ERIC Educational Resources Information Center

    Nakhleh, Mary B.

    One of the more interesting areas of problem solving in chemistry attempts to answer the question, "What do students understand about the molecular level of chemistry?" This question is also implicit in the more traditional area of mathematical problem solving but in this paper, more focus is placed on devising ways to help students develop a…

  5. Creating Processes Associated with Providing Government Goods and Services Under the Commercial Space Launch Act at Kennedy Space Center

    NASA Technical Reports Server (NTRS)

    Letchworth, Janet F.

    2011-01-01

    Kennedy Space Center (KSC) has decided to write its agreements under the Commercial Space Launch Act (CSLA) authority to cover a broad range of categories of support that KSC could provide to our commercial partner. Our strategy was to go through the onerous process of getting the agreement in place once and allow added specificity and final cost estimates to be documented on a separate Task Order Request (TOR). This paper is written from the implementing engineering team's perspective. It describes how we developed the processes associated with getting Government support to our emerging commercial partners, such as SpaceX and reports on our success to date.

  6. 32 CFR 1806.3 - Procedures governing acceptance of service of process.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... physically located, process servers generally will not be allowed to enter CIA Headquarters for the purpose... sole discretion of the Director, NACIC, process servers will generally not be permitted to enter...

  7. 32 CFR 1806.3 - Procedures governing acceptance of service of process.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... physically located, process servers generally will not be allowed to enter CIA Headquarters for the purpose... sole discretion of the Director, NACIC, process servers will generally not be permitted to enter...

  8. 32 CFR 1806.3 - Procedures governing acceptance of service of process.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... physically located, process servers generally will not be allowed to enter CIA Headquarters for the purpose... sole discretion of the Director, NACIC, process servers will generally not be permitted to enter...

  9. 32 CFR 1806.3 - Procedures governing acceptance of service of process.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... physically located, process servers generally will not be allowed to enter CIA Headquarters for the purpose... sole discretion of the Director, NACIC, process servers will generally not be permitted to enter...

  10. 32 CFR 1806.3 - Procedures governing acceptance of service of process.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... physically located, process servers generally will not be allowed to enter CIA Headquarters for the purpose... sole discretion of the Director, NACIC, process servers will generally not be permitted to enter...

  11. 25 CFR 900.185 - How long does the Federal government have to process an FTCA claim after the claim is received by...

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 25 Indians 2 2010-04-01 2010-04-01 false How long does the Federal government have to process an FTCA claim after the claim is received by the Federal agency, before a lawsuit may be filed? 900.185... government have to process an FTCA claim after the claim is received by the Federal agency, before a...

  12. Probing ice-nucleation processes on the molecular level using second harmonic generation spectroscopy

    NASA Astrophysics Data System (ADS)

    Abdelmonem, A.; Lützenkirchen, J.; Leisner, T.

    2015-08-01

    We present and characterize a novel setup to apply second harmonic generation (SHG) spectroscopy in total internal reflection geometry (TIR) to heterogeneous freezing research. It allows to monitor the evolution of water structuring at solid surfaces at low temperatures prior to heterogeneous ice nucleation. Apart from the possibility of investigating temperature dependence, a major novelty in our setup is the ability of measuring sheet-like samples in TIR geometry in a direct way. As a main experimental result, we find that our method can discriminate between good and poor ice nucleating surfaces. While at the sapphire basal plane, which is known to be a poor ice nucleator, no structural rearrangement of the water molecules is found prior to freezing, the basal plane surface of mica, an analogue to ice active mineral dust surfaces, exhibits a strong change in the nonlinear optical properties at temperatures well above the freezing transition. This is interpreted as a pre-activation, i.e. an increase in the local ordering of the interfacial water which is expected to facilitate the crystallization of ice at the surface. The results are in line with recent predictions by molecular dynamics simulations on a similar system.

  13. [Process orientation as a tool of strategic approaches to corporate governance and integrated management systems].

    PubMed

    Sens, Brigitte

    2010-01-01

    The concept of general process orientation as an instrument of organisation development is the core principle of quality management philosophy, i.e. the learning organisation. Accordingly, prestigious quality awards and certification systems focus on process configuration and continual improvement. In German health care organisations, particularly in hospitals, this general process orientation has not been widely implemented yet - despite enormous change dynamics and the requirements of both quality and economic efficiency of health care processes. But based on a consistent process architecture that considers key processes as well as management and support processes, the strategy of excellent health service provision including quality, safety and transparency can be realised in daily operative work. The core elements of quality (e.g., evidence-based medicine), patient safety and risk management, environmental management, health and safety at work can be embedded in daily health care processes as an integrated management system (the "all in one system" principle). Sustainable advantages and benefits for patients, staff, and the organisation will result: stable, high-quality, efficient, and indicator-based health care processes. Hospitals with their broad variety of complex health care procedures should now exploit the full potential of total process orientation. PMID:20951952

  14. Tip-induced gating of molecular levels in carbene-based junctions.

    PubMed

    Foti, Giuseppe; Vázquez, Héctor

    2016-03-29

    We study the conductance of N-heterocyclic carbene-based (NHC) molecules on gold by means of first-principles calculations based on density-functional theory and non-equilibrium Green's functions. We consider several tip structures and find a strong dependence of the position of the NHC molecular levels with the atomistic structure of the tip. The position of the lowest unoccupied molecular orbital (LUMO) can change by almost 0.8 eV with tip shape. Through an analysis of the net charge transfer, electron redistribution and work function for each tip structure, we rationalize the LUMO shifts in terms of the sum of the work function and the maximum electrostatic potential arising from charge rearrangement. These differences in the LUMO position, effectively gating the molecular levels, result in large conductance variations. These findings open the way to modulating the conductance of NHC-based molecular circuits through the controlled design of the tip atomistic structure. PMID:26891059

  15. Tip-induced gating of molecular levels in carbene-based junctions

    NASA Astrophysics Data System (ADS)

    Foti, Giuseppe; Vázquez, Héctor

    2016-03-01

    We study the conductance of N-heterocyclic carbene-based (NHC) molecules on gold by means of first-principles calculations based on density-functional theory and non-equilibrium Green’s functions. We consider several tip structures and find a strong dependence of the position of the NHC molecular levels with the atomistic structure of the tip. The position of the lowest unoccupied molecular orbital (LUMO) can change by almost 0.8 eV with tip shape. Through an analysis of the net charge transfer, electron redistribution and work function for each tip structure, we rationalize the LUMO shifts in terms of the sum of the work function and the maximum electrostatic potential arising from charge rearrangement. These differences in the LUMO position, effectively gating the molecular levels, result in large conductance variations. These findings open the way to modulating the conductance of NHC-based molecular circuits through the controlled design of the tip atomistic structure.

  16. New insights into the molecular-level control of silica mineralization by diatoms

    NASA Astrophysics Data System (ADS)

    Wallace, A. F.; Dove, P. M.

    2007-12-01

    microscopy with elements of modern materials chemistry, to directly measure the rate of amorphous silica nucleation on COOH, NH3+, and COOH / NH3+-terminated surfaces under controlled solution conditions. Our results provide new insights into the molecular-level control of silica mineralization in diatoms. We show that differences between substrate-specific nucleation rates are controlled largely by kinetic factors rather than thermodynamic drivers, and that amine-terminated surfaces are not capable of triggering the onset of silica deposition without the synergistic activity of neighboring negatively charged species on the surface or in solution (e.g. carboxyl or phosphoryl groups). In light of this result we conclude that sites on the organic matrix that have phosphate and amine moieties in close proximity serve not only as contact points between the constituent macromolecules in the matrix, but also as initial sites of silica deposition.

  17. Analysis of physical-chemical processes governing SSME internal fluid flows

    NASA Technical Reports Server (NTRS)

    Singhal, A. K.; Owens, S. F.; Mukerjee, T.; Prakash, C.; Przekwas, A. J.; Kannapel, M.

    1985-01-01

    The basic issues concerning the physical chemical processes of the Space Shuttle Main Engine are discussed. The objectives being to supply the general purpose CFD code PHOENICS and the associated interactive graphics package - GRAFFIC; to demonstrate code usage on SSME related problems; to perform computations and analyses of problems relevant to current and future SSME's; and to participate in the development of new physical models of various processes present in SSME components. These objectives are discussed in detail.

  18. The growth of materials processing in space - A history of government support for new technology

    NASA Technical Reports Server (NTRS)

    Mckannan, E. C.

    1983-01-01

    Development of a given technology for national defense and large systems developments when the task is too large or risky for entrepreneurs, yet is clearly in the best interest of the nation are discussed. Advanced research to identify areas of interest was completed. Examples of commercial opportunities are the McDonnell-Douglas Corporation purification process for pharmaceutical products and the Microgravity Research Associates process for growing gallium arsenide crystals in space.

  19. Government Regulatory

    NASA Astrophysics Data System (ADS)

    Becker, Katie

    Government regulation of food products, food processing, and food preparation is imperative in bringing an unadulterated, nonmisleading, and safe food product to market and is relevant to all areas of food science, including engineering, processing, chemistry, and microbiology. The liability associated with providing consumers with an adulterated or substandard product cannot only tarnish a company's name and reputation, but also impose substantial financial repercussions on the company and those individuals who play an active role in the violation. In order for a company to fully comply with the relevant food laws (both federal and state), an intimate knowledge of food science is required. Individuals knowledgeable in food science play an integral role not only in implementing and counseling food companies/processors to ensure compliance with government regulations, but these individuals are also necessary to the state and federal governments that make and enforce the relevant laws and regulators.

  20. Reconciling Scale Mismatch in Water Governance, Hydro-climatic Processes and Infrastructure Systems of Water Supply in Las Vegas

    NASA Astrophysics Data System (ADS)

    Garcia, M. E.; Alarcon, T.; Portney, K.; Islam, S.

    2013-12-01

    Water resource systems are a classic example of a common pool resource due to the high cost of exclusion and the subtractability of the resource; for common pool resources, the performance of governance systems primarily depends on how well matched the institutional arrangements and rules are to the biophysical conditions and social norms. Changes in water governance, hydro-climatic processes and infrastructure systems occur on disparate temporal and spatial scales. A key challenge is the gap between current climate change model resolution, and the spatial and temporal scale of urban water supply decisions. This gap will lead to inappropriate management policies if not mediated through a carefully crafted decision making process. Traditional decision support and planning methods (DSPM) such as classical decision analysis are not equipped to deal with a non-static climate. While emerging methods such as decision scaling, robust decision making and real options are designed to deal with a changing climate, governance systems have evolved under the assumption of a static climate and it is not clear if these methods are well suited to the existing governance regime. In our study, these questions are contextualized by examining an urban water utility that has made significant changes in policy to adapt to changing conditions: the Southern Nevada Water Authority (SNWA) which serves metropolitan Las Vegas. Like most desert cities, Las Vegas exists because of water; the artesian springs of the Las Vegas Valley once provided an ample water supply for Native Americans, ranchers and later a small railroad city. However, population growth has increased demands far beyond local supplies. The area now depends on the Colorado River for the majority of its water supply. Natural climate variability with periodic droughts has further challenged water providers; projected climate changes and further population growth will exacerbate these challenges. Las Vegas is selected as a case

  1. Processes governing phytoplankton blooms in estuaries. I: The local production-loss balance

    USGS Publications Warehouse

    Lucas, L.V.; Koseff, Jeffrey R.; Cloern, J.E.; Monismith, Stephen G.; Thompson, J.K.

    1999-01-01

    The formation and spatial distribution of phytoplankton blooms in estuaries are controlled by (1) local mechanisms, which determine the production-loss balance for a water column at a particular spatial location (i.e. control if a bloom is possible), and (2) transport-related mechanisms, which govern biomass distribution (i.e. control if and where a bloom actually occurs). In this study, the first of a 2-paper series, we use a depth-averaged numerical model as a theoretical tool to describe how interacting local conditions (water column height, light availability, benthic grazing) influence the local balance between phytoplankton sources and sinks. We also explore trends in the spatial variability of the production-loss balance across the topographic gradients between deep channels and lateral shoals which are characteristic of shallow estuaries. For example, under conditions of high turbidity and slow benthic grazing the highest rates of phytoplankton population growth are found in the shallowest regions. On the other hand, with low turbidity and rapid benthic grazing the highest growth rates occur in the deeper areas. We also explore the effects of semidiurnal tidal variation in water column height, as well as spring-neap variability. Local population growth in the shallowest regions is very sensitive to tidal-scale shallowing and deepening of the water column, especially in the presence of benthic grazing. A spring-neap signal in population growth rate is also prominent in the shallow areas. Population growth in deeper regions is less sensitive to temporal variations in tidal elevation. These results show that both shallow and deep regions of estuaries can act as sources or sinks for phytoplankton biomass, depending on the local conditions of mean water column height, tidal amplitude, light-limited growth rate, and consumption by grazers.

  2. INVESTIGATION OF THE THERMODYNAMICS GOVERNING METAL HYDRIDE SYNTHESIS IN THE MOLTEN STATE PROCESS.

    SciTech Connect

    Stowe, A; Polly Berseth, P; Ragaiy Zidan, R; Donald Anton, D

    2007-08-23

    Complex metal hydrides have been synthesized for hydrogen storage through a new synthetic technique utilizing high hydrogen overpressure at elevated temperatures (molten state processing). This synthesis technique holds the potential of fusing different complex hydrides at elevated temperatures and pressures to form new species with enhanced hydrogen storage properties. Formation of these compounds is driven by thermodynamic and kinetic considerations. We report on investigations of the thermodynamics. Novel synthetic complexes were formed, structurally characterized, and their hydrogen desorption properties investigated. The effectiveness of the molten state process is compared with mechanicosynthetic ball milling.

  3. The Reform Process of Portuguese Higher Education Institutions: From Collegial to Managerial Governance

    ERIC Educational Resources Information Center

    Bruckmann, Sofia; Carvalho, Teresa

    2014-01-01

    Portuguese public higher education institutions have been undergoing a major reform process since 2007. The most noticeable changes were introduced by Law 62/2007, which gave higher education institutions the option to choose between two different institutional models (foundational and public institute), and allowed the implementation of new…

  4. Investigation of the Physical Processes Governing Large-scale Tracer Transport in the Stratosphere and Troposphere

    NASA Technical Reports Server (NTRS)

    Selkirk, Henry B.

    1996-01-01

    This report reviews the second year of a three-year research program to investigate the physical mechanisms which underlie the transport of trace constituents in the stratosphere- troposphere system. The primary scientific goal of the research is to identify the processes which transport air masses within the lower stratosphere, particularly between the tropics and middle latitudes. The SASS program seeks to understand the impact of the present and future fleets of conventional jet traffic on the upper troposphere and lower stratosphere, while complementary airborne observations under UARP seek to understand the complex interactions of dynamical and chemical processes that affect the ozone layer. The present investigation contributes to the goals of each of these by diagnosing the history of air parcels intercepted by NASA research aircraft in UARP and AEAP campaigns.

  5. Processes governing the stable isotope composition of water in the St. Lawrence river system, Canada.

    PubMed

    Rosa, Eric; Hillaire-Marcel, Claude; Hélie, Jean-François; Myre, Alexandre

    2016-01-01

    Linkages between δ(18)O-δ(2)H and hydrological processes have been investigated from isotopic time series recorded in the St. Lawrence River basin. Three stations were monitored from 1997 to 2008. They include the Ottawa River, the St. Lawrence River main channel at Montreal and the fluvial estuary. All sites depict seasonal isotopic cycles characterized by heavy isotope depletions during the snowmelt period and heavy isotope enrichments throughout the ice-free period. The data define δ(2)H-δ(18)O regression lines falling below the meteoric water line. In the Ottawa River, calculations suggest that approximately 8 % of the total inflow to the basin is lost through evaporation. In the St. Lawrence River main channel, seasonal isotopic fluctuations most likely reflect hydrological processes occurring within the Great Lakes and mixing with tributaries located downstream. In the St. Lawrence River fluvial estuary, isotopic data allow partitioning streamflow components and suggest that the recorded seasonal variations mainly respond to mixing processes. PMID:26963148

  6. Processes governing the temperature structure of the tropical tropopause layer (Invited)

    NASA Astrophysics Data System (ADS)

    Birner, T.

    2013-12-01

    The tropical tropopause layer (TTL) is among the most important but least understood regions of the global climate system. The TTL sets the boundary condition for atmospheric tracers entering the stratosphere. Specifically, TTL temperatures control stratospheric water vapor concentrations, which play a key role in the radiative budget of the entire stratosphere with implications for tropospheric and surface climate. The TTL shows a curious stratification structure: temperature continues to decrease beyond the level of main convective outflow (~200 hPa) up to the cold point tropopause (~100 hPa), but TTL lapse rates are smaller than in the upper troposphere. A cold point tropopause well separated from the level of main convective outflow requires TTL cooling which may be the result of: 1) the detailed radiative balance in the TTL, 2) large-scale upwelling (forced by extratropical or tropical waves), 3) the large-scale hydrostatic response aloft deep convective heating, 4) overshooting convection, 5) breaking gravity waves. All of these processes may act in isolation or combine to produce the observed TTL temperature structure. Here, a critical discussion of these processes / mechanisms and their role in lifting the cold point tropopause above the level of main convective outflow is presented. Results are based on idealized radiative-convective equilibrium model simulations, contrasting single-column with cloud-resolving simulations, as well on simulations with chemistry-climate models and reanalysis data. While all of the above processes are capable of producing a TTL-like region in isolation, their combination is found to produce important feedbacks. In particular, both water vapor and ozone are found to have strong radiative effects on TTL temperatures, highlighting important feedbacks between transport circulations setting temperatures and tracer structures and the resulting tracer structures in turn affecting temperatures.

  7. Coupled Biogeochemical and Hydrologic Processes Governing Arsenic Mobility Within Sediments of Southeast Asia

    NASA Astrophysics Data System (ADS)

    Kocar, B. D.; Polizzotto, M. L.; Ying, S. C.; Benner, S. G.; Sampson, M.; Fendorf, S.

    2008-12-01

    Weathering of As-bearing rocks in the Himalayas has resulted in the transport of sediments down major river systems such as the Brahmaputra, Ganges, Red, Irrawaddy, and Mekong. Groundwater in these river basins commonly has As concentrations exceeding the World Health Organization's recommended drinking water limit (10 μg L-1) by more than an order of magnitude. Coupling of hydrology and biogeochemical processes underlies the elevated concentrations of As in these aquifers, necessitating studies that allow their deconvolution. Furthermore, to fully elucidate the biogeochemical mechanisms of sedimentary As release, the thermodynamic favorability of controlling biogeochemical reactions must be considered. We therefore used a combination of spectroscopic and wet chemical measurements to resolve the dominant processes controlling As release and transport in surficial soils/sediments within an As-afflicted field area of the Mekong delta. Based on these measurements, we assess the thermodynamic potential for As, Fe, and S reduction to transpire--major processes influencing As release and mobility. Our results illustrate that clay (0-12m deep) underlying oxbow and wetland environments are subjected to continuously reducing conditions due to ample carbon input and saturated conditions. Ensuing reductive mobilization of As from As-bearing Fe (hydr)oxides results in its migration to the underlying sandy aquifer (>12 m deep). Reactive transport modeling using PHREEQC and MIN3P, constrained with chemical and hydrologic field measurements, provides a calibrated illustration of As release and transport occurring within the clays underlying organic-rich, permanently inundated locations. These areas provide sufficient As to the aqueous phase for widespread contamination of the aquifer, and release is predicted to occur for several thousand years prior to depletion of As from the solid phase.

  8. Non-communicable diseases and global health governance: enhancing global processes to improve health development

    PubMed Central

    Magnusson, Roger S

    2007-01-01

    This paper assesses progress in the development of a global framework for responding to non-communicable diseases, as reflected in the policies and initiatives of the World Health Organization (WHO), World Bank and the UN: the institutions most capable of shaping a coherent global policy. Responding to the global burden of chronic disease requires a strategic assessment of the global processes that are likely to be most effective in generating commitment to policy change at country level, and in influencing industry behaviour. WHO has adopted a legal process with tobacco (the WHO Framework Convention on Tobacco Control), but a non-legal, advocacy-based approach with diet and physical activity (the Global Strategy on Diet, Physical Activity and Health). The paper assesses the merits of the Millennium Development Goals (MDGs) and the FCTC as distinct global processes for advancing health development, before considering what lessons might be learned for enhancing the implementation of the Global Strategy on Diet. While global partnerships, economic incentives, and international legal instruments could each contribute to a more effective global response to chronic diseases, the paper makes a special case for the development of international legal standards in select areas of diet and nutrition, as a strategy for ensuring that the health of future generations does not become dependent on corporate charity and voluntary commitments. A broader frame of reference for lifestyle-related chronic diseases is needed: one that draws together WHO's work in tobacco, nutrition and physical activity, and that envisages selective use of international legal obligations, non-binding recommendations, advocacy and policy advice as tools of choice for promoting different elements of the strategy. PMID:17519005

  9. Non-communicable diseases and global health governance: enhancing global processes to improve health development.

    PubMed

    Magnusson, Roger S

    2007-01-01

    This paper assesses progress in the development of a global framework for responding to non-communicable diseases, as reflected in the policies and initiatives of the World Health Organization (WHO), World Bank and the UN: the institutions most capable of shaping a coherent global policy. Responding to the global burden of chronic disease requires a strategic assessment of the global processes that are likely to be most effective in generating commitment to policy change at country level, and in influencing industry behaviour. WHO has adopted a legal process with tobacco (the WHO Framework Convention on Tobacco Control), but a non-legal, advocacy-based approach with diet and physical activity (the Global Strategy on Diet, Physical Activity and Health). The paper assesses the merits of the Millennium Development Goals (MDGs) and the FCTC as distinct global processes for advancing health development, before considering what lessons might be learned for enhancing the implementation of the Global Strategy on Diet. While global partnerships, economic incentives, and international legal instruments could each contribute to a more effective global response to chronic diseases, the paper makes a special case for the development of international legal standards in select areas of diet and nutrition, as a strategy for ensuring that the health of future generations does not become dependent on corporate charity and voluntary commitments. A broader frame of reference for lifestyle-related chronic diseases is needed: one that draws together WHO's work in tobacco, nutrition and physical activity, and that envisages selective use of international legal obligations, non-binding recommendations, advocacy and policy advice as tools of choice for promoting different elements of the strategy. PMID:17519005

  10. Analysis of physical-chemical processes governing SSME internal fluid flows

    NASA Technical Reports Server (NTRS)

    Singhal, A. K.; Owens, S. F.; Mukerjee, T.; Keeton, L. W.; Prakash, C.; Przekwas, A. J.

    1984-01-01

    The efforts to adapt CHAM's computational fluid dynamics code, PHOENICS, to the analysis of flow within the high pressure fuel turbopump (HPFTP) aft-platform seal cavity of the SSME are summarized. In particular, the special purpose PHOENICS satellite and ground station specifically formulated for this application are listed and described, and the preliminary results of the first part two-dimensional analyses are presented and discussed. Planned three-dimensional analyses are also briefly outlined. To further understand the mixing and combustion processes in the SSME fuelside preburners, a single oxygen-hydrogen jet element was investigated.

  11. Technology and public policy: The process of technology assessment in the Federal Government

    NASA Technical Reports Server (NTRS)

    Coates, V. T.

    1975-01-01

    Conclusions drawn from research and a series of recommendations for the improvement of the technology assessment process in Federal agencies are presented. The following topics are discussed: (1) who is doing technology assessment; (2) the organization of technology assessments; (3) disciplines and techniques used in technology; (4) analysis of a sample of technology assessment studies: initiation, disciplines, techniques, costs, scope, purpose, and utilization; (5) gaps and overlaps in governmental assessment of nine major technologies; (6) prerequisites for further improvement of technology assessment; and (7) recommendations.

  12. Analysis of physical-chemical processes governing SSME internal fluid flows

    NASA Technical Reports Server (NTRS)

    Singhal, A. K.; Owens, S. F.; Mukerjee, T.; Keeton, L. W.; Tam, L. T.

    1984-01-01

    In order to aid the development of current and future SSME type engines, it is necessary to improve the understanding of basic issues related with physical-chemical processes of SSME internal flows. Accomplishments under each of the following specific objectives are described herein: (1) supplying a state-of-the-art CFD code and graphics package; (2) demonstrating code usage on SSME-related problems to NASA MSFC personnel; and (3) performance computations and analysis of problems relevant to current and future SSME's.

  13. A critical analysis of processes governing the nutrient profiles in the ocean

    NASA Astrophysics Data System (ADS)

    Ramesh, R.; Lal, D.

    1994-03-01

    We have theoretically considered the problem of interpretation of nutrient profiles in the upper ocean (100-2000m). We compare the experimental depth profiles of nonconservative tracers, both stable and radioactive, with solutions of one-dimensional steady state transport equations of increasing complexity including situations not encountered in the real oceans. Apart from gaining insight into the nutrient transport processes, this analysis is useful in offering a way to obtain operational estimates of depth dependent/independent eddy diffusivity and dissolution fluxes in the ocean. These parameters are essential for estimating new production, total production and burial of carbon in the sediments.

  14. Shallow water processes govern system-wide phytoplankton bloom dynamics: A modeling study

    USGS Publications Warehouse

    Lucas, L.V.; Koseff, Jeffrey R.; Monismith, Stephen G.; Thompson, J.K.

    2009-01-01

    A pseudo-two-dimensional numerical model of estuarine phytoplankton growth and consumption, vertical turbulent mixing, and idealized cross-estuary transport was developed and applied to South San Francisco Bay. This estuary has two bathymetrically distinct habitat types (deep channel, shallow shoal) and associated differences in local net rates of phytoplankton growth and consumption, as well as differences in the water column's tendency to stratify. Because many physical and biological time scales relevant to algal population dynamics decrease with decreasing depth, process rates can be especially fast in the shallow water. We used the model to explore the potential significance of hydrodynamic connectivity between a channel and shoal and whether lateral transport can allow physical or biological processes (e.g. stratification, benthic grazing, light attenuation) in one sub-region to control phytoplankton biomass and bloom development in the adjacent sub-region. Model results for South San Francisco Bay suggest that lateral transport from a productive shoal can result in phytoplankton biomass accumulation in an adjacent deep, unproductive channel. The model further suggests that turbidity and benthic grazing in the shoal can control the occurrence of a bloom system-wide; whereas, turbidity, benthic grazing, and vertical density stratification in the channel are likely to only control local bloom occurrence or modify system-wide bloom magnitude. Measurements from a related field program are generally consistent with model-derived conclusions. ?? 2008 Elsevier B.V.

  15. Summary of the government/industry workshop on new materials and processing technologies for industrial applications

    SciTech Connect

    Young, J.K.

    1992-07-01

    This report presents a summary of the 1-day workshop conducted at Ann Arbor, Michigan, on April 16, 1992, between the National Center for Manufacturing Sciences (NCMS) and the US Department of Energy Advanced Industrial Materials Program (DOE AIM). The workshop objectives were to: (1) encourage collaboration between DOE, the DOE national laboratories, and NCMS material manufacturers and (2) assist the DOE AIM program in targeting research and development (R&D) more effectively. During the workshop, participants from industry and DOE laboratories were divided into three working groups. Representatives from the DOE national laboratories currently conducting major research programs for AIM were asked to be working group leaders. The groups developed recommendations for NCMS and AIM managers using a six-step process. As a result of the workshop, the groups identified problems of key concern to NCMS member companies and promising materials and processes to meet industry needs. Overall, the workshop found that the research agenda of DOE AIM should include working with suppliers to develop manufacturing technology. The agenda should not be solely driven by energy considerations, but rather it should be driven by industry needs. The role of DOE should be to ensure that energy-efficient technology is available to meet these needs.

  16. Summary of the government/industry workshop on new materials and processing technologies for industrial applications

    SciTech Connect

    Young, J K

    1992-07-01

    This report presents a summary of the 1-day workshop conducted at Ann Arbor, Michigan, on April 16, 1992, between the National Center for Manufacturing Sciences (NCMS) and the US Department of Energy Advanced Industrial Materials Program (DOE AIM). The workshop objectives were to: (1) encourage collaboration between DOE, the DOE national laboratories, and NCMS material manufacturers and (2) assist the DOE AIM program in targeting research and development (R D) more effectively. During the workshop, participants from industry and DOE laboratories were divided into three working groups. Representatives from the DOE national laboratories currently conducting major research programs for AIM were asked to be working group leaders. The groups developed recommendations for NCMS and AIM managers using a six-step process. As a result of the workshop, the groups identified problems of key concern to NCMS member companies and promising materials and processes to meet industry needs. Overall, the workshop found that the research agenda of DOE AIM should include working with suppliers to develop manufacturing technology. The agenda should not be solely driven by energy considerations, but rather it should be driven by industry needs. The role of DOE should be to ensure that energy-efficient technology is available to meet these needs.

  17. Genetic drift in populations governed by a Galton-Watson branching process.

    PubMed

    Burden, Conrad J; Simon, Helmut

    2016-06-01

    Most population genetics studies have their origins in a Wright-Fisher or some closely related fixed-population model in which each individual randomly chooses its ancestor. Populations which vary in size with time are typically modelled via a coalescent derived from Wright-Fisher, but use a nonlinear time-scaling driven by a deterministically imposed population growth. An alternate, arguably more realistic approach, and one which we take here, is to allow the population size to vary stochastically via a Galton-Watson branching process. We study genetic drift in a population consisting of a number of distinct allele types in which each allele type evolves as an independent Galton-Watson branching process. We find the dynamics of the population is determined by a single parameter κ0=(2m0/σ(2))logλ, where m0 is the initial population size, λ is the mean number of offspring per individual; and σ(2) is the variance of the number of offspring. For 0≲κ0≪1, the dynamics are close to those of Wright-Fisher, with the added property that the population is prone to extinction. For κ0≫1 allele frequencies and ancestral lineages are stable and individual alleles do not fix throughout the population. The existence of a rapid changeover regime at κ0≈1 enables estimates to be made, together with confidence intervals, of the time and population size of the era of mitochondrial Eve. PMID:27018000

  18. Investigation of the Physical Processes Governing Large-Scale Tracer Transport in the Stratosphere and Troposphere

    NASA Technical Reports Server (NTRS)

    Selkirk, Henry B.

    2001-01-01

    This report summarizes work conducted from January 1996 through April 1999 on a program of research to investigate the physical mechanisms that underlie the transport of trace constituents in the stratosphere-troposphere system. The primary scientific goal of the research has been to identify the processes which transport air masses within the lower stratosphere, particularly between the tropics and middle latitudes. This research was conducted in collaboration with the Subsonic Assessment (SASS) of the NASA Atmospheric Effects of Radiation Program (AEAP) and the Upper Atmospheric Research Program (UARP). The SASS program sought to understand the impact of the present and future fleets of conventional jet traffic on the upper troposphere and lower stratosphere, while complementary airborne observations under UARP seek to understand the complex interactions of dynamical and chemical processes that affect the ozone layer. The present investigation contributed to the goals of each of these by diagnosing the history of air parcels intercepted by NASA research aircraft in UARP and AEAP campaigns. This was done by means of a blend of trajectory analyses and tracer correlation techniques.

  19. Factors governing dissolution process of lignocellulosic biomass in ionic liquid: current status, overview and challenges.

    PubMed

    Badgujar, Kirtikumar C; Bhanage, Bhalchandra M

    2015-02-01

    The utilisation of non-feed lignocellulosic biomass as a source of renewable bio-energy and synthesis of fine chemical products is necessary for the sustainable development. The methods for the dissolution of lignocellulosic biomass in conventional solvents are complex and tedious due to the complex chemical ultra-structure of biomass. In view of this, recent developments for the use of ionic liquid solvent (IL) has received great attention, as ILs can solubilise such complex biomass and thus provides industrial scale-up potential. In this review, we have discussed the state-of-art for the dissolution of lignocellulosic material in representative ILs. Furthermore, various process parameters and their influence for biomass dissolution were reviewed. In addition to this, overview of challenges and opportunities related to this interesting area is presented. PMID:25451772

  20. Factors and processes governing the C-14 content of carbonate in desert soils

    NASA Technical Reports Server (NTRS)

    Amundson, Ronald; Wang, Yang; Chadwick, Oliver; Trumbore, Susan; Mcfadden, Leslie; Mcdonald, Eric; Wells, Steven; Deniro, Michael

    1994-01-01

    A model is presented describing the factors and processes which determine the measured C-14 ages of soil calcium carbonate. Pedogenic carbonate forms in isotopic equilium with soil CO2. Carbon dioxide in soils is a mixture of CO2 derived from two biological sources: respiration by living plant roots and respiration of microorganisms decomposing soil humus. The relative proportion of these two CO2 sources can greatly affect the initial C-14 content of pedogenic carbonate: the greater the contribution of humus-derived CO2, the greater the initial C-14 age of the carbonate mineral. For any given mixture of CO2 sources, the steady-state (14)CO2 distribution vs. soil depth can be described by a production/diffusion model. As a soil ages, the C-14 age of soil humus increases, as does the steady-state C-14 age of soil CO2 and the initial C-14 age of any pedogenic carbonate which forms. The mean C-14 age of a complete pedogenic carbonate coating or nodule will underestimate the true age of the soil carbonate. This discrepancy increases the older a soil becomes. Partial removal of outer (and younger) carbonate coatings greatly improves the relationship between measured C-14 age and true age. Although the production/diffusion model qualitatively explains the C-14 age of pedogenic carbonate vs. soil depth in many soils, other factors, such as climate change, may contribute to the observed trends, particularily in soils older than the Holocene.

  1. Shallow water processes govern system-wide phytoplankton bloom dynamics: A field study

    USGS Publications Warehouse

    Thompson, J.K.; Koseff, Jeffrey R.; Monismith, Stephen G.; Lucas, L.V.

    2008-01-01

    Prior studies of the phytoplankton dynamics in South San Francisco Bay, California, USA have hypothesized that bivalve filter-feeders are responsible for the limited phytoplankton blooms in the system. This study was designed to examine the effects of benthic grazing and light attenuation on this shallow, turbid, and nutrient replete system. We found that grazing by shallow water bivalves was important in determining phytoplankton bloom occurrence throughout the system and that above a shallow water bivalve grazing threshold, phytoplankton biomass did not exceed bloom levels. Wind speed, used as a proxy for light attenuation in the shallow water, was similarly important in determining bloom development in the shallow water. Environmental conditions and benthic grazing in the deep water channel had a less discernible effect on system-wide phytoplankton blooms although persistent water column stratification did increase bloom magnitude. The shallow water bivalves, believed to be preyed upon by birds and fish that migrate through the system in fall and winter, disappear each year prior to the spring phytoplankton bloom. Because growth of the phytoplankton depends so strongly on shallow water processes, any change in the shallow-water benthic filter-feeders or their predators has great potential to change the phytoplankton bloom dynamics in this system. ?? 2007 Elsevier B.V. All rights reserved.

  2. Improvement of the Computing - Related Procurement Process at a Government Research Facility

    SciTech Connect

    Gittins, C.

    2000-04-03

    The purpose of the project was to develop, implement, and market value-added services through the Computing Resource Center in an effort to streamline computing-related procurement processes across the Lawrence Livermore National Laboratory (LLNL). The power of the project was in focusing attention on and value of centralizing the delivery of computer related products and services to the institution. The project required a plan and marketing strategy that would drive attention to the facility's value-added offerings and services. A significant outcome of the project has been the change in the CRC internal organization. The realignment of internal policies and practices, together with additions to its product and service offerings has brought an increased focus to the facility. This movement from a small, fractious organization into one that is still small yet well organized and focused on its mission and goals has been a significant transition. Indicative of this turnaround was the sharing of information. One-on-one and small group meetings, together with statistics showing work activity was invaluable in gaining support for more equitable workload distribution, and the removal of blame and finger pointing. Sharing monthly reports on sales and operating costs also had a positive impact.

  3. Heat impact caused molecular level changes in solid and dissolved soil organic matter

    NASA Astrophysics Data System (ADS)

    Hofmann, Diana; Steffen, Bernhard; Eckhardt, Kai-Uwe; Leinweber, Peter

    2015-04-01

    resolution (used 400.000 at m/z 400 Da) and mass accuracy (≤ 1 ppm), simultaneously providing molecular level details of thousands of compounds. The characteristics and differences of the FTICR-MS spectra with as many as ten or more peaks at each nominal mass are discussed: heated samples showed considerable higher intensities of even numbered peaks. An in-house developed, automated post processing was used for further exploitation of the data with the aim of an unambiguous assignment of as many peaks as possible. Obtained mass lists were transformed for sorting and preparation/ interpretation of graphics like Kendrick and van Krevelen plots. The heat-treated solid samples show decreasing C/N ratios and the formation cyclic and N-heterocyclic compounds in good agreement among the various methods (Py-FIMS and C- and N-XANES). Detailed insight into the hot-water extracts by FTICR-MS showed clear qualitative as well as quantitative changes in the number and the intensity of nitrogen and nitrogen + sulfur containing compounds, respectively, which generally became enriched under soil heating. This demonstrates for the first time, that not only the bulk SOM is affected in structure by heat impact but also the more mobile DOM. We assume, that heat impact volatilizes and oxidizes parts of the organic substances is as expected but another part of the substances incorporates (further) nitrogen atom(s) similar to the generation of new compounds under the conditions of plasma etching in nitrogen atmosphere. This would explain to some extent, why soils are e.g. after fire clearing of vegetation are highly fertile for a short period (better plant acceptable compounds) but become more infertile in the long run, especially under tropical conditions with frequently heavy rain that would lead to an increased leaching of compounds with higher polarity.

  4. Molecular-Level Transformations of Lignin During Photo-Oxidation and Biodegradation

    NASA Astrophysics Data System (ADS)

    Feng, X.; Hills, K.; Simpson, A. J.; Simpson, M. J.

    2009-05-01

    As the second most abundant component of terrestrial plant residues, lignin plays a key role in regulating plant litter decomposition, humic substance formation, and dissolved organic matter (OM) production from terrestrial sources. Biodegradation is the primary decomposition process of lignin on land. However, photo- oxidation of lignin-derived compounds has been reported in aquatic systems and is considered to play a vital role in arid and semiarid regions. With increasing ultraviolet (UV) radiation due to ozone depletion, it is important to understand the biogeochemical fate of lignin exposed to photo-oxidation in terrestrial environments. This study examines and compares the transformation of lignin in a three-month laboratory simulation of biodegradation and photo-oxidation using molecular-level techniques. Lignin-derived monomers extracted by copper oxidation were analyzed by gas chromatography/mass spectrometry (GC/MS) from the water-soluble and insoluble OM of 13C-labeled corn leaves. Biodegradation increased the solubility of lignin monomers in comparison to the control samples, and the acid-to-aldehyde (Ad/Al) ratios increased in both the water-soluble and insoluble OM, indicating a higher degree of side-chain lignin oxidation. Photo-oxidation did not produce a significant change on the solubility or Ad/Al ratios of lignin from corn leaves. However, the ratios of trans-to-cis isomers of both cinnamyl units (p-coumaric acid and ferulic acid) increased with photo-oxidation and decreased with biodegradation in the insoluble OM. We also investigated the role of photo-oxidation in lignin transformation in soils cropped with 13C-labeled corn. Interestingly, the organic carbon content increased significantly with time in the water-soluble OM from soil/corn residues under UV radiation. An increase in the concentration of lignin monomers and dimers and the Ad/Al ratios was also observed with photo-oxidation. Iso-branched fatty acids of microbial origin remained in

  5. Molecular-level transformations of lignin during photo-oxidation and biodegradation

    NASA Astrophysics Data System (ADS)

    Feng, X.; Hills, K.; Simpson, A. J.; Simpson, M. J.

    2009-04-01

    As the second most abundant component of terrestrial plant residues, lignin plays a key role in regulating plant litter decomposition, humic substance formation, and dissolved organic matter (OM) production from terrestrial sources. Biodegradation is the primary decomposition process of lignin on land. However, photo-oxidation of lignin-derived compounds has been reported in aquatic systems and is considered to play a vital role in arid and semiarid regions. With increasing ultraviolet (UV) radiation due to ozone depletion, it is important to understand the biogeochemical fate of lignin exposed to photo-oxidation in terrestrial environments. This study examines and compares the transformation of lignin in a three-month laboratory simulation of biodegradation and photo-oxidation using molecular-level techniques. Lignin-derived monomers extracted by copper oxidation were analyzed by gas chromatography/mass spectrometry (GC/MS) from the water-soluble and insoluble OM of 13C-labeled corn leaves. Biodegradation increased the solubility of lignin monomers in comparison to the control samples, and the acid-to-aldehyde (Ad/Al) ratios increased in both the water-soluble and insoluble OM, indicating a higher degree of side-chain lignin oxidation. Photo-oxidation did not produce a significant change on the solubility or Ad/Al ratios of lignin from corn leaves. However, the ratios of trans-to-cis isomers of both cinnamyl units (p-coumaric acid and ferulic acid) increased with photo-oxidation and decreased with biodegradation in the insoluble OM. We also investigated the role of photo-oxidation in lignin transformation in soils cropped with 13C-labeled corn. Interestingly, the organic carbon content increased significantly with time in the water-soluble OM from soil/corn residues under UV radiation. An increase in the concentration of lignin monomers and dimers and the Ad/Al ratios was also observed with photo-oxidation. Iso-branched fatty acids of microbial origin remained in

  6. Processes governing phytoplankton blooms in estuaries. II: The role of horizontal transport

    USGS Publications Warehouse

    Lucas, L.V.; Koseff, Jeffrey R.; Monismith, Stephen G.; Cloern, J.E.; Thompson, J.K.

    1999-01-01

    The development and distribution of phytoplankton blooms in estuaries are functions of both local conditions (i.e. the production-loss balance for a water column at a particular spatial location) and large-scale horizontal transport. In this study, the second of a 2-paper series, we use a depth-averaged hydrodynamic-biological model to identify transport-related mechanisms impacting phytoplankton biomass accumulation and distribution on a system level. We chose South San Francisco Bay as a model domain, since its combination of a deep channel surrounded by broad shoals is typical of drowned-river estuaries. Five general mechanisms involving interaction of horizontal transport with variability in local conditions are discussed. Residual (on the order of days to weeks) transport mechanisms affecting bloom development and location include residence time/export, import, and the role of deep channel regions as conduits for mass transport. Interactions occurring on tidal time scales, i.e. on the order of hours) include the phasing of lateral oscillatory tidal flow relative to temporal changes in local net phytoplankton growth rates, as well as lateral sloshing of shoal-derived biomass into deep channel regions during ebb and back into shallow regions during flood tide. Based on these results, we conclude that: (1) while local conditions control whether a bloom is possible, the combination of transport and spatial-temporal variability in local conditions determines if and where a bloom will actually occur; (2) tidal-time-scale physical-biological interactions provide important mechanisms for bloom development and evolution. As a result of both subtidal and tidal-time-scale transport processes, peak biomass may not be observed where local conditions are most favorable to phytoplankton production, and inherently unproductive areas may be regions of high biomass accumulation.

  7. Investigation of heat flux processes governing the increase of groundwater temperatures beneath cities

    NASA Astrophysics Data System (ADS)

    Bayer, P.; Menberg, K.; Zhu, K.; Blum, P.

    2012-12-01

    In the subsurface of many cities there are widespread and persistent thermal anomalies. These so-called subsurface urban heat islands (UHIs), which also stimulate warming of urban aquifers, are triggered by various processes. Possible heat sources are basements of buildings, leakage of sewage systems, buried district heating networks, re-injection of cooling water and solar irradiation on paved surfaces. In the current study, the reported groundwater temperatures in several Central European cities, such as Berlin, Cologne (Germany) and Zurich (Switzerland) are compared. Available data sets are supplemented by temperature measurements and depth profiles in observation wells. Trend analyses are conducted with time series of groundwater temperatures, and three-dimensional groundwater temperature maps are provided. In all investigated cities, pronounced positive temperature anomalies are present. The distribution of groundwater temperatures appears to be spatially and temporally highly variable. Apparently, the increased heat input into the urban subsurface is controlled by very local and site-specific parameters. In the long-run, the combination of various heat sources results in an extensive temperature increase. In many cases, the maximum temperature elevation is found close to the city center. Regional groundwater temperature differences between the city center and the rural background are up to 5 °C, with local hot spots of even more pronounced anomalies. Particular heat sources, like cooling water injections or case-specific underground constructions, can cause local temperatures > 20 °C in the subsurface. Examination of the long-term variations in isotherm maps shows that temperatures have increased by about 1 °C in the city, as well as in the rural background areas over the last decades. This increase could be reproduced with trend analysis of temperature data gathered from several groundwater wells. Comparison between groundwater and air temperatures in the

  8. Overcoming Interoperability Weaknesses in e-Government Processes: Organizing and Sharing Knowledge in Regional Development Programs Using Ontologies

    NASA Astrophysics Data System (ADS)

    Scorza, Francesco; Casas, Giuseppe Las; Murgante, Beniamino

    European Regional Policy produced several generations of programmes at both National and Regional levels. Such a complex framework tends to increase multi-level governance in the period 2007-2013, promoting a wider participation of stakeholders (including Public Administration, Local Communities, Enterprises, etc). This process has been usually accompanied by e-tools for the management of bottom-up processes, with several instances related to common problems of participation processes. Communication between "programmer" and categories of beneficiaries always presented weakness due to the ineffective system of management knowledge within the process. Relevant issues in the framework of regional development programmes are: Do stakeholders understand the meaning of general and sectoral policies? Are citizens aware of technical instruments implementing such policies? Are they conscious of ex-ante comprehensive context analysis and/or can they share possible future scenarios? A way to tackle these problems is the use of ontologies. In this work we present the structural elements of the ontology of regional development programmes analyzing major steps of the ontology design and nodal phases of the ontology building (i.e. consensus on relations and restrictions, switch from glossary to taxonomy). The result of such an application is an ontology of regional development containing more than one hundred classes.

  9. Coupled Hydrological and Geochemical Processes Governing the Fate and Transport of Radionuclides and Toxic Metals in the Hanford Vadose Zone

    SciTech Connect

    Mayes, M.A.; Jardine, P.M.; Fendorf, S.E.; Pace, M.N.; Yin, X.; Mehlhorn, T.L.; Zachara, J.M.

    2003-03-27

    At the D.O.E. Hanford Reservation, accelerated migration of radionuclides has been observed in the vadose zone underlying the tank farms. Our goal is to provide an improved understanding and predictive capability of the coupled hydrogeochemical mechanisms responsible for observed migration. Our approach is to perform a suite of experiments ranging from novel surface interrogation techniques (e.g., XAS) to miscible displacement experiments on disturbed and undisturbed sediments from the Hanford, Plio-Pleistocene and Ringold formations. Results indicate during unsaturated conditions hydrologic processes governing transport are a strong function of sediment layering in the Hanford and Ringold formations. The transport of radionuclides and toxic metals (U, Cr(VI), Cs, Sr and Co) is influenced by reactive geochemical nonequilibrium, sedimentary mineralogy and solution chemistry. This research will provide new insights into how physical and mineralogical heterogeneities (e.g. stratification, pore regime connectivity, mineral composition along flowpaths) influence contaminant retardation and degree of geochemical nonequilibrium during transport.

  10. Governing processes for reactive nitrogen compounds in the atmosphere in relation to ecosystem, climatic and human health impacts

    NASA Astrophysics Data System (ADS)

    Hertel, O.; Skjøth, C. A.; Reis, S.; Bleeker, A.; Harrison, R.; Cape, J. N.; Fowler, D.; Skiba, U.; Simpson, D.; Jickells, T.; Kulmala, M.; Gyldenkærne, S.; Sørensen, L. L.; Erisman, J. W.; Sutton, M. A.

    2012-07-01

    Reactive nitrogen (Nr) compounds have different fates in the atmosphere due to differences in governing processes of physical transport, deposition and chemical transformation. Nr compounds addressed here include reduced nitrogen (NHx: ammonia (NH3) and its reaction product ammonium (NH4+)), oxidized nitrogen (NOy: nitrogen monoxide (NO) + nitrogen dioxide (NO2) and their reaction products) as well as organic nitrogen compounds (organic N). Pollution abatement strategies need to take into account these differences in the governing processes of these compounds when assessing their impact on ecosystem services, biodiversity, human health and climate. NOx (NO + NO2) emitted from traffic affects human health in urban areas where the presence of buildings increases the residence time in streets. In urban areas this leads to enhanced exposure of the population to NOx concentrations. NOx emissions have little impact on nearby ecosystems because of the small dry deposition rates of NOx. These compounds need to be converted into nitric acid (HNO3) before removal through deposition is efficient. HNO3 sticks quickly to any surface and is thereby either dry deposited or incorporated into aerosols as nitrate (NO3-). In contrast to NOx compounds, NH3 has potentially high impacts on ecosystems near the main agricultural sources of NH3 because of its large ground-level concentrations along with large dry deposition rates. Aerosol phase NH4+ and NO3- contribute significantly to background PM2.5 and PM10 (mass of aerosols with a diameter of less than 2.5 and 10 μm, respectively) with an impact on radiation balance as well as potentially on human health. Little is known quantitatively and qualitatively about organic N in the atmosphere, other than that it contributes a significant fraction of wet-deposited N, and is present in both gaseous and particulate forms in the atmosphere. Further studies are needed to characterize the sources, air chemistry and removal rates of organic N

  11. Turning randomness into meaning at the molecular level using Muller's morphs

    PubMed Central

    Henson, Kathleen; Cooper, Melanie M.; Klymkowsky, Michael W.

    2012-01-01

    Summary While evolutionary theory follows from observable facts and logical inferences (Mayr, 1985), historically, the origin of novel inheritable variations was a major obstacle to acceptance of natural selection (Bowler, 1992; Bowler, 2005). While molecular mechanisms address this issue (Jablonka and Lamb, 2005), analysis of responses to the Biological Concept Inventory (BCI) (Klymkowsky et al., 2010), revealed that molecular biology majors rarely use molecular level ideas in their discourse, implying that they do not have an accessible framework within which to place evolutionary variation. We developed a “Socratic tutorial” focused on Muller's categorization of mutations' phenotypic effects (Muller, 1932). Using a novel vector-based method to analyzed students' essay responses, we found that a single interaction with this tutorial led to significant changes in thinking toward a clearer articulation of the effects of mutational change. We suggest that Muller's morphs provides an effective framework for facilitating student learning about mutational effects and evolutionary mechanisms. PMID:23213431

  12. Acid-Base Interactions at the Molecular Level: Adhesion and Friction Studies with Interfacial Force Microscopy

    SciTech Connect

    Burns, A.R.; Carpick, R.W.; Houston, J.E.; Michalske, T.A.

    1998-12-09

    To examine the forces of acid-base adhesive interactions at the molecular level, we utilize the scanning probe Interracial Force Microscope (IFM). Unlike cantilever-based atomic force microscopes, the EM is a non-compliant, mechanically stable probe that provides a complete adhesive profile without jump-to-contact. In this way, we are able to quantitatively measure the work of adhesion and bond energies at well-defined, nanometer-scale single asperity contacts. In particular, we will discuss the displacement-controlled adhesive forces between self-assembled monolayer of functionalized alkanethiols strongly bound to a gold substrate and a similarly functionalized tip. We also discuss a method utilizing decoupled lateral and normal force sensors to simultaneously observe the onset of both friction and chemical bond formation. Measurements show that friction can be directly attributed to bond formation and rupture well before repulsive contact.

  13. Bias-dependent molecular-level structure of electrical double layer in ionic liquid on graphite

    SciTech Connect

    Black, Jennifer M; Walters, Deron; Labuda, Aleksander; Feng, Guang; Hillesheim, Patrick C; Dai, Sheng; Cummings, Peter T; Kalinin, Sergei V; Proksch, Roger; Balke, Nina

    2013-01-01

    Bias-dependent structure of electrochemical double layers at liquid-solid interfaces underpin a multitude of phenomena in virtually all areas of scientific enquiry ranging from energy storage and conversion systems, biology, to geophysics and geochemistry. Here we report the bias-evolution of the electric double layer structure of an ionic liquid on highly ordered pyrolytic graphite as a model system for carbon-based electrodes for electrochemical supercapacitors measured by atomic force microscopy. Matching the observed structures to molecular dynamics simulations allows us to resolve steric effects due to cation and anion layers. We observe reconfiguration under applied bias and the orientational transitions in the Stern layer. The synergy between molecular dynamics simulation and experiment provides a comprehensive picture of structural phenomena and long- and short range interactions. This insight will improve understanding of the mechanism of charge storage in electrochemical capacitors on a molecular level which can be used to enhance their electrochemical performance.

  14. Turning randomness into meaning at the molecular level using Muller's morphs.

    PubMed

    Henson, Kathleen; Cooper, Melanie M; Klymkowsky, Michael W

    2012-04-15

    While evolutionary theory follows from observable facts and logical inferences (Mayr, 1985), historically, the origin of novel inheritable variations was a major obstacle to acceptance of natural selection (Bowler, 1992; Bowler, 2005). While molecular mechanisms address this issue (Jablonka and Lamb, 2005), analysis of responses to the Biological Concept Inventory (BCI) (Klymkowsky et al., 2010), revealed that molecular biology majors rarely use molecular level ideas in their discourse, implying that they do not have an accessible framework within which to place evolutionary variation. We developed a "Socratic tutorial" focused on Muller's categorization of mutations' phenotypic effects (Muller, 1932). Using a novel vector-based method to analyzed students' essay responses, we found that a single interaction with this tutorial led to significant changes in thinking toward a clearer articulation of the effects of mutational change. We suggest that Muller's morphs provides an effective framework for facilitating student learning about mutational effects and evolutionary mechanisms. PMID:23213431

  15. Coexistence of spinodal instability and thermal nucleation in thin-film rupture: insights from molecular levels.

    PubMed

    Nguyen, Trung Dac; Fuentes-Cabrera, Miguel; Fowlkes, Jason D; Rack, Philip D

    2014-03-01

    Despite extensive investigation using hydrodynamic models and experiments over the past decades, there remain open questions regarding the origin of the initial rupture of thin liquid films. One of the reasons that makes it difficult to identify the rupture origin is the coexistence of two dewetting mechanisms, namely, thermal nucleation and spinodal instability, as observed in many experimental studies. Using a coarse-grained model and large-scale molecular dynamics simulations, we are able to characterize the very early stage of dewetting in nanometer-thick liquid-metal films wetting a solid substrate. We observe the features characteristic of both spinodal instability and thermal nucleation in the spontaneously dewetting films and show that these two macroscopic mechanisms share a common origin at molecular levels. PMID:24730848

  16. Coexistence of spinodal instability and thermal nucleation in thin-film rupture: Insights from molecular levels

    NASA Astrophysics Data System (ADS)

    Nguyen, Trung Dac; Fuentes-Cabrera, Miguel; Fowlkes, Jason D.; Rack, Philip D.

    2014-03-01

    Despite extensive investigation using hydrodynamic models and experiments over the past decades, there remain open questions regarding the origin of the initial rupture of thin liquid films. One of the reasons that makes it difficult to identify the rupture origin is the coexistence of two dewetting mechanisms, namely, thermal nucleation and spinodal instability, as observed in many experimental studies. Using a coarse-grained model and large-scale molecular dynamics simulations, we are able to characterize the very early stage of dewetting in nanometer-thick liquid-metal films wetting a solid substrate. We observe the features characteristic of both spinodal instability and thermal nucleation in the spontaneously dewetting films and show that these two macroscopic mechanisms share a common origin at molecular levels.

  17. Elastins from patients with Williams-Beuren syndrome and healthy individuals differ on the molecular level.

    PubMed

    Heinz, Andrea; Huertas, Angela C Mora; Schräder, Christoph U; Pankau, Rainer; Gosch, Angela; Schmelzer, Christian E H

    2016-07-01

    Williams-Beuren syndrome (WBS) is a congenital disorder, which involves the heterozygous deletion of the elastin gene and other genes on chromosome 7. Clinical symptoms that are associated with hemizygosity of the essential extracellular matrix protein elastin include premature aging of the skin and supravalvular aortic stenosis. However, only little is known about the molecular basis of structural abnormalities in the connective tissue of WBS patients. Therefore, for the first time this study aimed to systematically characterize and compare the structure and amount of elastin present in skin and aortic tissue from WBS patients and healthy individuals. Elastin fibers were isolated from tissue biopsies, and it was found that skin of WBS patients contains significantly less elastin compared to skin of healthy individuals. Scanning electron microscopy and mass spectrometric measurements combined with bioinformatics data analysis were used to investigate the molecular-level structure of elastin. Scanning electron microscopy revealed clear differences between WBS and healthy elastin. With respect to the molecular-level structure, it was found that the proline hydroxylation degree differed between WBS and healthy elastin, while the tropoelastin isoform appeared to be the same. In terms of cross-linking, no differences in the content of the tetrafunctional cross-links desmosine and isodesmosine were found between WBS and healthy elastin. However, principal component analysis revealed differences between enzymatic digests of elastin from healthy probands and WBS patients, which indicates differing susceptibility toward enzymatic cleavage. Overall, the study contributes to a better understanding of the correlation between genotypic and elastin-related phenotypic features of WBS patients. © 2016 Wiley Periodicals, Inc. PMID:27311421

  18. Numerical solution of equations governing longitudinal suspension line wave motion during the parachute unfurling process. Ph.D. Thesis - George Washington Univ., Washington, D. C.

    NASA Technical Reports Server (NTRS)

    Poole, L. R.

    1973-01-01

    Equations are presented which govern the dynamics of the lines-first parachute unfurling process, including wave motion in the parachute suspension lines. Techniques are developed for obtaining numerical solutions to the governing equations. Histories of tension at test data, and generally good agreement is observed. Errors in computed results are attributed to several areas of uncertainty, the most significant being a poorly defined boundary condition on the wave motion at the vehicle-suspension line boundary.

  19. Developing Process Indicators to Improve Educational Governance: Lessons for Education from Health Care. Testimony Presented to the Little Hoover Commission on June 23, 2005

    ERIC Educational Resources Information Center

    Stecher, Brian M.

    2005-01-01

    The author presents testimony on the value of process indicators--i.e., measures of the services the education system is actually providing--for improving educational governance. He states that the case in favor of process indicators can be summarized in terms of three propositions. First, information about system performance is critical for…

  20. A Five-Year Plan for Meeting the Automatic Data Processing and Telecommunications Needs of the Federal Government. Volume l: Planning Strategies.

    ERIC Educational Resources Information Center

    Department of Commerce, Washington, DC.

    The first of two volumes, this document describes the planning process of a 5-year plan for meeting the telecommunications and automatic data processing (ADP) needs of the federal government, examines the planning efforts of several typical agencies, and explores issues involved in managing new technology as it evolves. For each agency,…

  1. Molecular Level Design Principle behind Optimal Sizes of Photosynthetic LH2 Complex: Taming Disorder through Cooperation of Hydrogen Bonding and Quantum Delocalization.

    PubMed

    Jang, Seogjoo; Rivera, Eva; Montemayor, Daniel

    2015-03-19

    The light harvesting 2 (LH2) antenna complex from purple photosynthetic bacteria is an efficient natural excitation energy carrier with well-known symmetric structure, but the molecular level design principle governing its structure-function relationship is unknown. Our all-atomistic simulations of nonnatural analogues of LH2 as well as those of a natural LH2 suggest that nonnatural sizes of LH2-like complexes could be built. However, stable and consistent hydrogen bonding (HB) between bacteriochlorophyll and the protein is shown to be possible only near naturally occurring sizes, leading to significantly smaller disorder than for nonnatural ones. Extensive quantum calculations of intercomplex exciton transfer dynamics, sampled for a large set of disorder, reveal that taming the negative effect of disorder through a reliable HB as well as quantum delocalization of the exciton is a critical mechanism that makes LH2 highly functional, which also explains why the natural sizes of LH2 are indeed optimal. PMID:26262847

  2. Validating and determining the weight of items used for evaluating clinical governance implementation based on analytic hierarchy process model

    PubMed Central

    Hooshmand, Elaheh; Tourani, Sogand; Ravaghi, Hamid; Vafaee Najar, Ali; Meraji, Marziye; Ebrahimipour, Hossein

    2015-01-01

    Background: The purpose of implementing a system such as Clinical Governance (CG) is to integrate, establish and globalize distinct policies in order to improve quality through increasing professional knowledge and the accountability of healthcare professional toward providing clinical excellence. Since CG is related to change, and change requires money and time, CG implementation has to be focused on priority areas that are in more dire need of change. The purpose of the present study was to validate and determine the significance of items used for evaluating CG implementation. Methods: The present study was descriptive-quantitative in method and design. Items used for evaluating CG implementation were first validated by the Delphi method and then compared with one another and ranked based on the Analytical Hierarchy Process (AHP) model. Results: The items that were validated for evaluating CG implementation in Iran include performance evaluation, training and development, personnel motivation, clinical audit, clinical effectiveness, risk management, resource allocation, policies and strategies, external audit, information system management, research and development, CG structure, implementation prerequisites, the management of patients’ non-medical needs, complaints and patients’ participation in the treatment process. The most important items based on their degree of significance were training and development, performance evaluation, and risk management. The least important items included the management of patients’ non-medical needs, patients’ participation in the treatment process and research and development. Conclusion: The fundamental requirements of CG implementation included having an effective policy at national level, avoiding perfectionism, using the expertise and potentials of the entire country and the coordination of this model with other models of quality improvement such as accreditation and patient safety. PMID:26673174

  3. Modeling of growth factor-receptor systems: from molecular-level protein interaction networks to whole-body compartment models

    PubMed Central

    Wu, Florence T.H.; Stefanini, Marianne O.; Mac Gabhann, Feilim; Popel, Aleksander S.

    2010-01-01

    Most physiological processes are subjected to molecular regulation by growth factors, which are secreted proteins that activate chemical signal transduction pathways through binding of specific cell-surface receptors. One particular growth factor system involved in the in vivo regulation of blood vessel growth is called the vascular endothelial growth factor (VEGF) system. Computational and numerical techniques are well-suited to handle the molecular complexity (the number of binding partners involved, including ligands, receptors, and inert binding sites) and multi-scale nature (intra-tissue vs. inter-tissue transport and local vs. systemic effects within an organism) involved in modeling growth factor system interactions and effects. This paper introduces a variety of in silico models that seek to recapitulate different aspects of VEGF system biology at various spatial and temporal scales: molecular-level kinetic models focus on VEGF ligand-receptor interactions at and near the endothelial cell surface; meso-scale single-tissue 3D models can simulate the effects of multi-cellular tissue architecture on the spatial variation in VEGF ligand production and receptor activation; compartmental modeling allows efficient prediction of average interstitial VEGF concentrations and cell-surface VEGF signaling intensities across multiple large tissue volumes, permitting the investigation of whole-body inter-tissue transport (e.g., vascular permeability and lymphatic drainage). The given examples will demonstrate the utility of computational models in aiding both basic science and clinical research on VEGF systems biology. PMID:19897104

  4. 75 FR 76467 - Draft Concept for Government-Wide “ExpertNet” Platform and Process To Elicit Expert Public...

    Federal Register 2010, 2011, 2012, 2013, 2014

    2010-12-08

    ... structured format. The goal of ExpertNet is to enable government officials to search for and communicate with... Government Initiative and GSA and located at http://expertnet.wikispaces.com (the ``Wiki''). In addition...://expertnet.wikispaces.com or received via e-mail by January 7, 2011. Comments submitted in response to...

  5. Processes Governing the Location and Depth of Convection in the Labrador Sea - Lessons Learned from an Idealized Model Study

    NASA Astrophysics Data System (ADS)

    Katsman, C. A.; Gelderloos, R.

    2014-12-01

    The Labrador Sea is one of the few locations in the world's oceans where deep convection occurs. The convectively-formed Labrador Sea Water (LSW) contributes to the lower limb of the Atlantic Meridional Overturning Circulation (AMOC). In light of its link to the AMOC, it is important to understand the annual cycle of Labrador Sea convection and restratification, and the role that both atmospheric and oceanic conditions play for the formation of LSW. Convection in the Labrador Sea is highly variable in time, and observations indicate that also the location of deepest convection varies. It is obvious that the atmospheric heat loss is an important factor in governing these characteristics of wintertime convection. However, the story is probably more complicated than that. Over the year, the Labrador Sea loses heat to the atmosphere, and this loss is compensated by lateral eddy buoyancy fluxes originating from the boundary current. This implies that variations in the pattern and magnitude of these eddy fluxes may play a role as well for setting the preferred convection sites. In this study, a highly idealized model is applied to investigate the competing impacts of surface heat loss and lateral buoyancy fluxes in setting the characteristics of Labrador Sea convection, and to assess how sensitive the convection is to variations in these two processes. In particular, the impacts of Irminger Rings shed near Greenland's west coast are highlighted.

  6. Governance in Strategic Context

    ERIC Educational Resources Information Center

    Alfred, Richard L.

    2008-01-01

    This chapter begins with a retrospective look at governance in community colleges based on a working understanding of governance as a correlate of decision making. In its simplest form, governance is "a process for distributing authority, power, and influence in decision making among constituencies" (Alfred and Smydra, 1985, pp. 201-202). What…

  7. LACC Shared Governance Model.

    ERIC Educational Resources Information Center

    Spangler, Mary

    This document discusses Los Angeles City College's (LACC) (California) Shared Governance Model. In response to California Assembly Bill 1725, LACC set forth a plan to implement the statutory requirements of shared governance. Shared governance is a concept grounded in the idea that decision-making is a process that affects the entire campus…

  8. Pseudomonas viridiflava, a Multi Host Plant Pathogen with Significant Genetic Variation at the Molecular Level

    PubMed Central

    Mpalantinaki, Evaggelia; Ververidis, Filippos; Goumas, Dimitrios E.

    2012-01-01

    The pectinolytic species Pseudomonas viridiflava has a wide host range among plants, causing foliar and stem necrotic lesions and basal stem and root rots. However, little is known about the molecular evolution of this species. In this study we investigated the intraspecies genetic variation of P. viridiflava amongst local (Cretan), as well as international isolates of the pathogen. The genetic and phenotypic variability were investigated by molecular fingerprinting (rep-PCR) and partial sequencing of three housekeeping genes (gyrB, rpoD and rpoB), and by biochemical and pathogenicity profiling. The biochemical tests and pathogenicity profiling did not reveal any variability among the isolates studied. However, the molecular fingerprinting patterns and housekeeping gene sequences clearly differentiated them. In a broader phylogenetic comparison of housekeeping gene sequences deposited in GenBank, significant genetic variability at the molecular level was found between isolates of P. viridiflava originated from different host species as well as among isolates from the same host. Our results provide a basis for more comprehensive understanding of the biology, sources and shifts in genetic diversity and evolution of P. viridiflava populations and should support the development of molecular identification tools and epidemiological studies in diseases caused by this species. PMID:22558343

  9. Low temperature techniques applied for CTEM and STEM analysis of cellular components at a molecular level.

    PubMed

    Sjöstrand, F S

    1982-12-01

    One of the most important problems in tissue preparation for electron microscopic analysis at a molecular level involves the preservation of the tissue without introducing extensive denaturation of the proteins. Low temperature is a most efficient condition for the inhibition of protein denaturation and freeze-drying offers favourable conditions for transferring proteins to a dry state with minimal denaturation of the proteins. However, the embedding of the dried tissue in a plastic leads to extensive denaturation of the proteins when performed in the conventional way. This eliminates very efficiently the advantages of the method. The situation becomes even worse when subjecting the tissue to freeze-substitution. To eliminate as far as possible the denaturing effect of plastic embedding, freeze-drying can be combined with low temperature embedding in a plastic. Freeze-fracturing allows a most efficient use of low temperature to reduce conformation changes in proteins. The value of the freeze-fracturing technique depends entirely on a precise knowledge of the location of the fracture planes. Since this location is not known, it must be determined on the basis of a deduction. If this deduction is wrong, the method becomes misleading. Two methods which allow a certain testing of the correctness of the deduced location of the fracture planes are mentioned. PMID:6759657

  10. Insights into the uranium(VI) speciation with Pseudomonas fluorescens on a molecular level.

    PubMed

    Lütke, Laura; Moll, Henry; Bernhard, Gert

    2012-11-21

    Microorganisms have great potential to bind and thus transport actinides in the environment. Thus microbes indigenous to designated nuclear waste disposal sites have to be investigated regarding their interaction mechanisms with soluble actinyl ions when assessing the safety of a planned repository. This paper presents results on the pH-dependent sorption of U(VI) onto Pseudomonas fluorescens isolated from the granitic rock aquifers at Äspö Hard Rock Laboratory, Sweden. To characterize the U(VI) interaction on a molecular level, potentiometric titration in combination with time-resolved laser-induced fluorescence spectroscopy (TRLFS) were applied. This paper as a result is one of the very few sources which provide stability constants of U(VI) complexed by cell surface functional groups. In addition the bacteria-mediated liberation of inorganic phosphate in dependence on [U(VI)] at different pHs was studied to judge the influence of phosphate release on U(VI) mobilization. The results demonstrate that in the acidic pH range U(VI) is bound by the cells mainly via protonated phosphoryl and carboxylic sites. The complexation by carboxylic groups can be observed over a wide pH range up to around pH 7. At neutral pH fully deprotonated phosphoryl groups are mainly responsible for U(VI) binding. U(VI) can be bound by P. fluorescens with relatively high thermodynamic stability. PMID:23007661

  11. Molecular-level engineering of THz/IR-sensitive materials for future biological sensing application

    NASA Astrophysics Data System (ADS)

    Woolard, Dwight; Recine, Gregory; Bykhovski, Alexei; Zhang, Weidong

    2010-08-01

    While the unique spectral information associated with chemical and biological molecules within the terahertz frequency regime (~ 3.0-3.0 millimeters) motivates its use for practical sensing applications, limiting factors at the macroscale (weak spectral absorption, broad line widths and masking geometrical effects introduced by the samples) provides motivation for man-engineered sensing materials that allow for the transduction of the spectral information about target molecules from the nanoscale. This brief letter will overview work being performed by our research group to define molecular-level functionality that will be useful for realizing "THz/IR-sensitive" materials. Here the goal is to define switchable molecular components that when incorporated into larger DNA-based nanoscaffolds lead to THz and/or IR regime electronic and/or photonic material properties that are dictated in a predictable manner by novel functionality paradigms. In particular, theoretical modeling and design studies are being performed to engineer organic and biological switches that can be incorporated into DNA-based architectures that enable the precise extraction of nanoscale information (e.g., composition, dynamics, conformation) through electronic/photonic transformations to the macroscale. Hence, these studies seek to define new spectral-based sensing modalities useful for characterizing bio-molecules

  12. Dynamic, mechanistic, molecular-level modelling of cyanobacteria: Anabaena and nitrogen interaction.

    PubMed

    Hellweger, Ferdi L; Fredrick, Neil D; McCarthy, Mark J; Gardner, Wayne S; Wilhelm, Steven W; Paerl, Hans W

    2016-09-01

    Phytoplankton (eutrophication, biogeochemical) models are important tools for ecosystem research and management, but they generally have not been updated to include modern biology. Here, we present a dynamic, mechanistic, molecular-level (i.e. gene, transcript, protein, metabolite) model of Anabaena - nitrogen interaction. The model was developed using the pattern-oriented approach to model definition and parameterization of complex agent-based models. It simulates individual filaments, each with individual cells, each with genes that are expressed to yield transcripts and proteins. Cells metabolize various forms of N, grow and divide, and differentiate heterocysts when fixed N is depleted. The model is informed by observations from 269 laboratory experiments from 55 papers published from 1942 to 2014. Within this database, we identified 331 emerging patterns, and, excluding inconsistencies in observations, the model reproduces 94% of them. To explore a practical application, we used the model to simulate nutrient reduction scenarios for a hypothetical lake. For a 50% N only loading reduction, the model predicts that N fixation increases, but this fixed N does not compensate for the loading reduction, and the chlorophyll a concentration decreases substantially (by 33%). When N is reduced along with P, the model predicts an additional 8% reduction (compared to P only). PMID:27059435

  13. Unravelling Protein-DNA Interactions at Molecular Level: A DFT and NCI Study.

    PubMed

    González, J; Baños, I; León, I; Contreras-García, J; Cocinero, E J; Lesarri, A; Fernández, J A; Millán, J

    2016-02-01

    Histone-DNA interactions were probed computationally at a molecular level, by characterizing the bimolecular clusters constituted by selected amino acid derivatives with polar (asparagine and glutamine), nonpolar (alanine, valine, and isoleucine), and charged (arginine) side chains and methylated pyrimidinic (1-methylcytosine and 1-methylthymine) and puric (9-methyladenine and 9-methylguanine) DNA bases. The computational approach combined different methodologies: a molecular mechanics (MMFFs forced field) conformational search and structural and vibrational density-functional calculations (M06-2X with double and triple-ζ Pople's basis sets). To dissect the interactions, intermolecular forces were analyzed with the Non-Covalent Interactions (NCI) analysis. The results for the 24 different clusters studied show a noticeable correlation between the calculated binding energies and the propensities for protein-DNA base interactions found in the literature. Such correlation holded even for the interaction of the selected amino acid derivatives with Watson and Crick pairs. Therefore, the balance between hydrogen bonds and van der Waals interactions (specially stacking) in the control of the final shape of the investigated amino acid-DNA base pairs seems to be well reproduced in dispersion-corrected DFT molecular models, reinforcing the idea that the specificity between the amino acids and the DNA bases play an important role in the regulation of DNA. PMID:26765058

  14. Short-Term Dynamics of North Sea Bacterioplankton-Dissolved Organic Matter Coherence on Molecular Level.

    PubMed

    Lucas, Judith; Koester, Irina; Wichels, Antje; Niggemann, Jutta; Dittmar, Thorsten; Callies, Ulrich; Wiltshire, Karen H; Gerdts, Gunnar

    2016-01-01

    Remineralization and transformation of dissolved organic matter (DOM) by marine microbes shape the DOM composition and thus, have large impact on global carbon and nutrient cycling. However, information on bacterioplankton-DOM interactions on a molecular level is limited. We examined the variation of bacterial community composition (BCC) at Helgoland Roads (North Sea) in relation to variation of molecular DOM composition and various environmental parameters on short-time scales. Surface water samples were taken daily over a period of 20 days. Bacterial community and molecular DOM composition were assessed via 16S rRNA gene tag sequencing and ultrahigh resolution Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR-MS), respectively. Environmental conditions were driven by a coastal water influx during the first half of the sampling period and the onset of a summer phytoplankton bloom toward the end of the sampling period. These phenomena led to a distinct grouping of bacterial communities and DOM composition which was particularly influenced by total dissolved nitrogen (TDN) concentration, temperature, and salinity, as revealed by distance-based linear regression analyses. Bacterioplankton-DOM interaction was demonstrated in strong correlations between specific bacterial taxa and particular DOM molecules, thus, suggesting potential specialization on particular substrates. We propose that a combination of high resolution techniques, as used in this study, may provide substantial information on substrate generalists and specialists and thus, contribute to prediction of BCC variation. PMID:27014241

  15. Organization of Lipids in the Tear Film: A Molecular-Level View

    PubMed Central

    Wizert, Alicja; Iskander, D. Robert; Cwiklik, Lukasz

    2014-01-01

    Biophysical properties of the tear film lipid layer are studied at the molecular level employing coarse grain molecular dynamics (MD) simulations with a realistic model of the human tear film. In this model, polar lipids are chosen to reflect the current knowledge on the lipidome of the tear film whereas typical Meibomian-origin lipids are included in the thick non-polar lipids subphase. Simulation conditions mimic those experienced by the real human tear film during blinks. Namely, thermodynamic equilibrium simulations at different lateral compressions are performed to model varying surface pressure, and the dynamics of the system during a blink is studied by non-equilibrium MD simulations. Polar lipids separate their non-polar counterparts from water by forming a monomolecular layer whereas the non-polar molecules establish a thick outermost lipid layer. Under lateral compression, the polar layer undulates and a sorting of polar lipids occurs. Moreover, formation of three-dimensional aggregates of polar lipids in both non-polar and water subphases is observed. We suggest that these three-dimensional structures are abundant under dynamic conditions caused by the action of eye lids and that they act as reservoirs of polar lipids, thus increasing stability of the tear film. PMID:24651175

  16. Study on the mechanism of action between dimethyl phthalate and herring sperm DNA at molecular level.

    PubMed

    Chi, Zhenxing; Wang, Donglin; You, Hong

    2016-08-01

    Dimethyl phthalate (DMP), a typical phthalic acid ester, is widespread in the environment and causes extensive concern due to its adverse effects on human health. To understand the genotoxicity of DMP at molecular level, the toxic interaction of DMP with herring sperm (hs) deoxyribonucleic acid (DNA; hs-DNA) was investigated in vitro under simulated physiological conditions using multi-spectroscopic techniques and a molecular modeling method. The results of Ultraviolet-Visible absorption spectroscopy, fluorescence emission spectroscopy, and circular dichroism spectra indicated that DMP interacts with hs-DNA in a groove-binding mode that changes the double helical structure of DNA. The binding constant and the number of binding sites calculated from the fluorescence quenching data were 565.718 L mol(-1) and 0.7872, respectively. A molecular modeling study revealed that DMP tends to bind with DNA in the A-T-rich regions of minor groove and that hydrogen bonding and van der Waals forces play main roles in the interaction. This research can help to elucidate the mechanism of DMP toxicity in vivo. PMID:27166703

  17. Short-Term Dynamics of North Sea Bacterioplankton-Dissolved Organic Matter Coherence on Molecular Level

    PubMed Central

    Lucas, Judith; Koester, Irina; Wichels, Antje; Niggemann, Jutta; Dittmar, Thorsten; Callies, Ulrich; Wiltshire, Karen H.; Gerdts, Gunnar

    2016-01-01

    Remineralization and transformation of dissolved organic matter (DOM) by marine microbes shape the DOM composition and thus, have large impact on global carbon and nutrient cycling. However, information on bacterioplankton-DOM interactions on a molecular level is limited. We examined the variation of bacterial community composition (BCC) at Helgoland Roads (North Sea) in relation to variation of molecular DOM composition and various environmental parameters on short-time scales. Surface water samples were taken daily over a period of 20 days. Bacterial community and molecular DOM composition were assessed via 16S rRNA gene tag sequencing and ultrahigh resolution Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR-MS), respectively. Environmental conditions were driven by a coastal water influx during the first half of the sampling period and the onset of a summer phytoplankton bloom toward the end of the sampling period. These phenomena led to a distinct grouping of bacterial communities and DOM composition which was particularly influenced by total dissolved nitrogen (TDN) concentration, temperature, and salinity, as revealed by distance-based linear regression analyses. Bacterioplankton-DOM interaction was demonstrated in strong correlations between specific bacterial taxa and particular DOM molecules, thus, suggesting potential specialization on particular substrates. We propose that a combination of high resolution techniques, as used in this study, may provide substantial information on substrate generalists and specialists and thus, contribute to prediction of BCC variation. PMID:27014241

  18. The seven-transmembrane receptor Gpr1 governs processes relevant for the antagonistic interaction of Trichoderma atroviride with its host.

    PubMed

    Omann, Markus R; Lehner, Sylvia; Escobar Rodríguez, Carolina; Brunner, Kurt; Zeilinger, Susanne

    2012-01-01

    Mycoparasitic Trichoderma species are applied as biocontrol agents in agriculture to guard plants against fungal diseases. During mycoparasitism, Trichoderma directly interacts with phytopathogenic fungi, preceded by a specific recognition of the host and resulting in its disarming and killing. In various fungal pathogens, including mycoparasites, signalling via heterotrimeric G proteins plays a major role in regulating pathogenicity-related functions. However, the corresponding receptors involved in the recognition of host-derived signals are largely unknown. Functional characterization of Trichoderma atroviride Gpr1 revealed a prominent role of this seven-transmembrane protein of the cAMP-receptor-like family of fungal G-protein-coupled receptors in the antagonistic interaction with the host fungus and governing of mycoparasitism-related processes. Silencing of gpr1 led to an avirulent phenotype accompanied by an inability to attach to host hyphae. Furthermore, gpr1-silenced transformants were unable to respond to the presence of living host fungi with the expression of chitinase- and protease-encoding genes. Addition of exogenous cAMP was able to restore host attachment in gpr1-silenced transformants but could not restore mycoparasitic overgrowth. A search for downstream targets of the signalling pathway(s) involving Gpr1 resulted in the isolation of genes encoding e.g. a member of the cyclin-like superfamily and a small secreted cysteine-rich protein. Although silencing of gpr1 caused defects similar to those of mutants lacking the Tga3 Gα protein, no direct interaction between Gpr1 and Tga3 was observed in a split-ubiquitin two-hybrid assay. PMID:22075023

  19. Reducing Bureaucratic Accretion in Government and University Procedures for Sponsored Research. New Approaches in Process and Additional Areas for Attention. Proceedings of a Hearing, June 5, 1985. Summary.

    ERIC Educational Resources Information Center

    National Academy of Sciences, Washington, DC. Government-University-Industry Research Roundtable.

    On June 5, 1985, the Government-University-Industry Research Roundtable conducted a hearing designed to be the first step in what will be a continuing process by the Research Roundtable of seeking ways to improve the efficiency and effectiveness of the sponsored research system. The goal of the hearing was to identify ways to simplify the system…

  20. Regional Development Partnerships in Sweden: A Way for Higher Education Institutions to Develop their Role in the Processes of Regional Governance?

    ERIC Educational Resources Information Center

    Hudson, Christine

    2006-01-01

    This paper focuses on the multi-sectoral regional growth partnerships established as part of the new Swedish regional policy. It asks the question whether participation in these partnerships marks a closer involvement on the part of universities in the processes of regional governance. This paper argues that at least part of the explanation for…

  1. A Comparative Case Study of the Influence of Educational Governance Team Decision-Making Processes on District Climate and Student Achievement

    ERIC Educational Resources Information Center

    Thompson, Debra A.

    2010-01-01

    This study explored how the educational governance team, composed of the superintendent and school board, can, in their collaborative efforts and decision-making processes, influence school district climate and impact student achievement. Though in form and function, school boards have not changed much in their almost 200 years of existence,…

  2. Molecular level all-optical logic with chlorophyll absorption spectrum and polarization sensitivity

    NASA Astrophysics Data System (ADS)

    Raychaudhuri, B.; Bhattacharyya (Bhaumik), S.

    2008-06-01

    Chlorophyll is suggested as a suitable medium for realizing optical Boolean logic at the molecular level in view of its wavelength-selective property and polarization sensitivity in the visible region. Spectrophotometric studies are made with solutions of total chlorophyll and chromatographically isolated components, viz. chlorophyll a and b and carotenoids extracted from pumpkin leaves of different maturity stages. The absorption features of matured chlorophyll with two characteristic absorption peaks and one transmission band are molecular properties and independent of concentration. A qualitative explanation of such an absorption property is presented in terms of a ‘particle in a box’ model and the property is employed to simulate two-input optical logic operations. If both of the inputs are either red or blue, absorption is high. If either one is absent and replaced by a wavelength of the transmission band, e.g. green, absorption is low. Assigning these values as 0 s or 1 s, AND and OR operations can be performed. A NOT operation can be simulated with the transmittance instead of the absorbance. Also, the shift in absorbance values for two different polarizations of the same monochromatic light can simulate two logical states with a single wavelength. Cyclic change in absorbance is noted over a rotation of 360° for both red and blue peaks, although the difference is not very large. Red monochromatic light with polarizations apart by 90°, corresponding to maximum and minimum absorption, respectively, may be assigned as the two logical states. The fluorescence emissions for different pigment components are measured at different excitation wavelengths and the effect of fluorescence on the red absorbance is concluded to be negligible.

  3. BcCluster: A Bladder Cancer Database at the Molecular Level

    PubMed Central

    Bhat, Akshay; Mokou, Marika; Zoidakis, Jerome; Jankowski, Vera; Vlahou, Antonia; Mischak, Harald

    2016-01-01

    Background: Bladder Cancer (BC) has two clearly distinct phenotypes. Non-muscle invasive BC has good prognosis and is treated with tumor resection and intravesical therapy whereas muscle invasive BC has poor prognosis and requires usually systemic cisplatin based chemotherapy either prior to or after radical cystectomy. Neoadjuvant chemotherapy is not often used for patients undergoing cystectomy. High-throughput analytical omics techniques are now available that allow the identification of individual molecular signatures to characterize the invasive phenotype. However, a large amount of data produced by omics experiments is not easily accessible since it is often scattered over many publications or stored in supplementary files. Objective: To develop a novel open-source database, BcCluster (http://www.bccluster.org/), dedicated to the comprehensive molecular characterization of muscle invasive bladder carcinoma. Materials: A database was created containing all reported molecular features significant in invasive BC. The query interface was developed in Ruby programming language (version 1.9.3) using the web-framework Rails (version 4.1.5) (http://rubyonrails.org/). Results: BcCluster contains the data from 112 published references, providing 1,559 statistically significant features relative to BC invasion. The database also holds 435 protein-protein interaction data and 92 molecular pathways significant in BC invasion. The database can be used to retrieve binding partners and pathways for any protein of interest. We illustrate this possibility using survivin, a known BC biomarker. Conclusions: BcCluster is an online database for retrieving molecular signatures relative to BC invasion. This application offers a comprehensive view of BC invasiveness at the molecular level and allows formulation of research hypotheses relevant to this phenotype. PMID:27376128

  4. Long-term variation in above and belowground plant inputs alters soil organic matter biogeochemistry at the molecular-level

    NASA Astrophysics Data System (ADS)

    Simpson, M. J.; Pisani, O.; Lin, L.; Lun, O.; Simpson, A.; Lajtha, K.; Nadelhoffer, K. J.

    2015-12-01

    The long-term fate of soil carbon reserves with global environmental change remains uncertain. Shifts in moisture, altered nutrient cycles, species composition, or rising temperatures may alter the proportions of above and belowground biomass entering soil. However, it is unclear how long-term changes in plant inputs may alter the composition of soil organic matter (SOM) and soil carbon storage. Advanced molecular techniques were used to assess SOM composition in mineral soil horizons (0-10 cm) after 20 years of Detrital Input and Removal Treatment (DIRT) at the Harvard Forest. SOM biomarkers (solvent extraction, base hydrolysis and cupric (II) oxide oxidation) and both solid-state and solution-state nuclear magnetic resonance (NMR) spectroscopy were used to identify changes in SOM composition and stage of degradation. Microbial activity and community composition were assessed using phospholipid fatty acid (PLFA) analysis. Doubling aboveground litter inputs decreased soil carbon content, increased the degradation of labile SOM and enhanced the sequestration of aliphatic compounds in soil. The exclusion of belowground inputs (No roots and No inputs) resulted in a decrease in root-derived components and enhanced the degradation of leaf-derived aliphatic structures (cutin). Cutin-derived SOM has been hypothesized to be recalcitrant but our results show that even this complex biopolymer is susceptible to degradation when inputs entering soil are altered. The PLFA data indicate that changes in soil microbial community structure favored the accelerated processing of specific SOM components with littler manipulation. These results collectively reveal that the quantity and quality of plant litter inputs alters the molecular-level composition of SOM and in some cases, enhances the degradation of recalcitrant SOM. Our study also suggests that increased litterfall is unlikely to enhance soil carbon storage over the long-term in temperate forests.

  5. Modelling Molecular Mechanisms: A Framework of Scientific Reasoning to Construct Molecular-Level Explanations for Cellular Behaviour

    ERIC Educational Resources Information Center

    van Mil, Marc H. W.; Boerwinkel, Dirk Jan; Waarlo, Arend Jan

    2013-01-01

    Although molecular-level details are part of the upper-secondary biology curriculum in most countries, many studies report that students fail to connect molecular knowledge to phenomena at the level of cells, organs and organisms. Recent studies suggest that students lack a framework to reason about complex systems to make this connection. In this…

  6. Effectiveness of a MORE Laboratory Module in Prompting Students to Revise Their Molecular-Level Ideas about Solutions

    ERIC Educational Resources Information Center

    Tien, Lydia T.; Teichert, Melonie A.; Rickey, Dawn

    2007-01-01

    The effectiveness of the implementation of the Model-Observe-Reflect-Explain (MORE) laboratory module in prompting different populations of general chemistry students to revise their molecular-level ideas regarding chemical compounds dissolved in water is examined. The module is effective for encouraging students to revise their ideas about…

  7. Insights into the molecular level composition, sources, and formation mechanisms of dissolved organic matter in aerosols and precipitation

    NASA Astrophysics Data System (ADS)

    Altieri, Katye Elisabeth

    Atmospheric aerosols scatter and absorb light influencing the global radiation budget and climate, and are associated with adverse effects on human health. Precipitation is an important removal mechanism for atmospheric dissolved organic matter (DOM), and a potentially important input for receiving ecosystems. However, the sources, formation, and composition of atmospheric DOM in aerosols and precipitation are not well understood. This dissertation investigates the composition and formation mechanisms of secondary organic aerosol (SOA) formed through cloud processing reactions, elucidates the composition and sources of DOM in rainwater, and provides links connecting the two. Photochemical batch aqueous-phase reactions of organics with both biogenic and anthropogenic sources (i.e., methylglyoxal, pyruvic acid) and OH radical were performed to simulate cloud processing. The composition of products formed through cloud processing experiments and rainwater collected in New Jersey, USA was investigated using a combination of electrospray ionization mass spectrometry techniques, including ultra-high resolution Fourier transform ion cyclotron resonance mass spectrometry. This dissertation has resulted in the first evidence that oligomers form through cloud processing reactions, the first detailed chemical mechanism of aqueous phase oligomerization, the first identification of oligomers, organosulfates, and nitrooxy organosulfates in precipitation, and the first molecular level chemical characterization of organic nitrogen in precipitation. The formation of oligomers in SOA helps to explain the presence of large multifunctional compounds and humic like substances (HULIS) that dominate particulate organic mass. Oligomers have low vapor pressures and remain in the particle phase after cloud evaporation, enhancing SOA. The chemical properties of the oligomers suggest that they are less hygroscopic than the monomeric reaction products (i.e., organic acids). Their elemental

  8. Student Government.

    ERIC Educational Resources Information Center

    Morrow, Joyce

    Materials for running a student government program at the junior high school level are provided in three general sections. Section 1 is a description of student government operations. Topics covered include student government responsibilities and activities, student council meeting procedures, parliamentary rules, responsibilities of the…

  9. Molecular level mechanisms of quartz dissolution at neutral and alkaline conditions with the presence of electrolytes

    NASA Astrophysics Data System (ADS)

    Liu, Y.; Zhang, S.

    2012-12-01

    The mechanisms of quartz dissolution are intricately affected by pH and electrolyte types. While most of previous studies have focused on mechanisms of quartz dissolution under a single specific condition (e.g., temperature, pH, saturation, or electrolyte type), this study investigates the molecular level mechanisms at combinations of electrolyte and pH conditions, which are more complicated but closer to the reality. Under neutral and alkaline pH conditions, with one of the Ca2+, Mg2+ or Na+ electrolytes in the solution, the dissolution of Q1(Si) and Q2(Si) sites on quartz surface, which represents the most important part of the quartz dissolution story, were investigated by first-principles quantum chemistry calculation methods. Also, large cluster models were used to represent the surface structures of quartz. The M05-2X/6-311+G** level DFT (Density Functional Theory) calculations and the STQN (Synchronous Transit-Guided Quasi-Newton) method (i.e., the QST3 method in Gaussian 03) were used to search transition-state structures and calculate energy barriers of the elementary Si-O bond breaking steps. Our results confirm that the dissolution of quartz can be significantly enhanced with the presence of electrolytes under neutral pH conditions, while under alkaline pH conditions, the behaviors of electrolytes are complicated, depending on where and how the electrolytes bond to quartz surfaces. Under neutral conditions, almost all types of electrolytes can directly bond to the bridging oxygen (BO) sites, leading to a weakened Si-Obr bonding and an increase of quartz dissolution. At alkaline conditions, however, electrolytes can no longer link to BO sites but rather link to terminal oxygen sites, leading to different dissolution mechanisms of quartz. The behaviors of specific electrolytes Na+, Ca2+, and Mg2+ on Q1(Si) and Q2 (Si) sites are also different, leading to more complicated dissolution mechanisms. Finally, the calculated energy barriers of possible hydrolysis

  10. Multiprobe Spectroscopic Inverstigation of Molecular-level Behavior within Aqueous 1-Butyl-3-methylimidazolium Tetrafluoroborate

    SciTech Connect

    Sarkar, Abhra; Ali, Maroof; Baker, Gary A; Tetin, Sergey Y.; Ruan, Qiaoqiao; Pandey, Siddharth

    2009-01-01

    In this work, an array of molecular-level solvent featuressincluding solute-solvent/solvent-solvent interactions, dipolarity, heterogeneity, dynamics, probe accessibility, and diffusionswere investigated across the entire composition of ambient mixtures containing the ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate, [bmim][BF4], and pH 7.0 phosphate buffer, based on results assembled for nine different molecular probes utilized in a range of spectroscopic modes. These studies uncovered interesting and unusual solvatochromic probe behavior within this benchmark mixture. Solvatochromic absorbance probessa watersoluble betaine dye (betaine dye 33), N,N-diethyl-4-nitroaniline, and 4-nitroanilineswere employed to determine ET (a blend of dipolarity/polarizability and hydrogen bond donor contributions) and the Kamlet-Taft indices * (dipolarity/polarizability), R (hydrogen bond donor acidity), and (hydrogen bond acceptor basicity) characterizing the [bmim][BF4] + phosphate buffer system. These parameters each showed a marked deviation from ideality, suggesting selective solvation of the individual probe solutes by [bmim][BF4]. Similar conclusions were derived from the responses of the fluorescent polarity-sensitive probes pyrene and pyrene-1-carboxaldehyde. Importantly, the fluorescent microfluidity probe 1,3-bis(1-pyrenyl)propane senses a microviscosity within the mixture that significantly exceeds expectations derived from simple interpolation of the behavior in the neat solvents. On the basis of results from this probe, a correlation between microviscosity and bulk viscosity was established; pronounced solvent-solvent hydrogen-bonding interactions were implicit in this behavior. The greatest deviation from ideal additive behavior for the probes studied herein was consistently observed to occur in the buffer-rich regime. Nitromethane-based fluorescence quenching of pyrene within the [bmim][BF4] + phosphate buffer system showed unusual compliance with a sphere

  11. 17 CFR 240.15Ca2-5 - Consent to service of process to be furnished by non-resident government securities brokers or...

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... non-resident general partners or managing agents of government securities brokers or government... managing agents of government securities brokers or government securities dealers. (a) Each non-resident... managing agent of any other unincorporated government securities broker or government securities...

  12. Reinventing Government.

    ERIC Educational Resources Information Center

    Osborne, David T.

    1993-01-01

    Throughout all levels of American government, a shift is taking place from the rigid, wasteful, centralized bureaucracies of the industrial era to the more flexible, entrepreneurial, decentralized government needed to succeed in today's world. This shift has been brought about by an unprecedented, ongoing fiscal crisis that has created a sudden…

  13. Remaking Governance.

    ERIC Educational Resources Information Center

    Carver, John

    2000-01-01

    The Policy Governance model's philosophical foundations lie in Rousseau's social contract, Greenleaf's servant-leadership, and modern management theory. Policy Governance stresses primacy of the owner-representative role; full-board authority; superintendents as chief executive officers; authoritative prescription of "ends," bounded freedom for…

  14. Molecular level description of the sorptive fractionation of a fulvic acid on aluminum oxide using electrospray ionization Fourier transform mass spectrometry.

    PubMed

    Galindo, Catherine; Del Nero, Mirella

    2014-07-01

    We addressed here, by means of electrospray ionization mass spectrometry (ESI-MS) with ultrahigh resolution, the molecular level fractionation of a reference fulvic acid (SRFA) during its sorption at an alumina surface, taken as a model for surfaces of natural aluminum oxide hydrates. Examination of ESI-MS spectra of a native SRFA solution and of supernatants collected in sorption experiments at acidic pH showed that the ∼5700 compounds identified in the native solution were partitioned between the solution and alumina surface to quite varying degrees. Compounds showing the highest affinity for the surface were aromatic compounds with multiple oxygenated functionalities, polycyclic aromatic compounds depleted of hydrogen and carrying few oxygenated groups, and aliphatic compounds with very high O/C values, highlighting the fact that SRFA constituents were sorbed mainly via chemical sorption involving their oxygenated functionalities. We observed an inverse correlation between the degree of sorption of a molecule within a CH2 series and its number of CH2 groups and a positive correlation between the degree of sorption and the number of CO2 groups in a COO series, which was remarkable. These correlations provide evidence at the molecular scale that molecule acidity is the key parameter governing fulvic acid (FA) sorptive fractionation, and they are useful for predicting sorption of FA at a natural oxide surface. PMID:24905077

  15. Renewing governance.

    PubMed

    Loos, Gregory P

    2003-01-01

    Globalization's profound influence on social and political institutions need not be negative. Critics of globalization have often referred to the "Impossible Trinity" because decision-making must 1. respect national sovereignty, 2. develop and implement firm regulation, and 3. allow capital markets to be as free as possible. To many, such goals are mutually exclusive because history conditions us to view policy-making and governance in traditional molds. Thus, transnational governance merely appears impossible because current forms of governance were not designed to provide it. The world needs new tools for governing, and its citizens must seize the opportunity to help develop them. The rise of a global society requires a greater level of generality and inclusion than is found in most policy bodies today. Politicians need to re-examine key assumptions about government. States must develop ways to discharge their regulatory responsibilities across borders and collaborate with neighboring jurisdictions, multilateral bodies, and business. Concepts such as multilateralism and tripartism show great promise. Governments must engage civil society in the spirit of shared responsibility and democratic decision-making. Such changes will result in a renewal of the state's purpose and better use of international resources and expertise in governance. PMID:17208717

  16. Potential means of support for materials processing in space. A history of government support for new technology

    NASA Technical Reports Server (NTRS)

    Mckannan, E. C.

    1983-01-01

    Development of a given technology for national defense and large systems developments when the task is too large or risky for entrepreneurs, yet is clearly in the best interest of the nation are discussed. Advanced research to identify areas of interest was completed. Examples of commercial opportunities are the McDonnell-Douglas Corporation purification process for pharmaceutical products and the Microgravity Research Associates process for growing gallium arsenide crystals in space.

  17. Dissolution-precipitation processes governing the carbonation and silicification of the serpentinite sole of the New Caledonia ophiolite

    NASA Astrophysics Data System (ADS)

    Ulrich, Marc; Muñoz, Manuel; Guillot, Stéphane; Cathelineau, Michel; Picard, Christian; Quesnel, Benoit; Boulvais, Philippe; Couteau, Clément

    2014-01-01

    The weathering of mantle peridotite tectonically exposed to the atmosphere leads commonly to natural carbonation processes. Extensive cryptocrystalline magnesite veins and stock-work are widespread in the serpentinite sole of the New Caledonia ophiolite. Silica is systematically associated with magnesite. It is commonly admitted that Mg and Si are released during the laterization of overlying peridotites. Thus, the occurrence of these veins is generally attributed to a per descensum mechanism that involves the infiltration of meteoric waters enriched in dissolved atmospheric CO2. In this study, we investigate serpentinite carbonation processes, and related silicification, based on a detailed petrographic and crystal chemical study of serpentinites. The relationships between serpentine and alteration products are described using an original method for the analysis of micro-X-ray fluorescence images performed at the centimeter scale. Our investigations highlight a carbonation mechanism, together with precipitation of amorphous silica and sepiolite, based on a dissolution-precipitation process. In contrast with the per descensum Mg/Si-enrichment model that is mainly concentrated in rock fractures, dissolution-precipitation process is much more pervasive. Thus, although the texture of rocks remains relatively preserved, this process extends more widely into the rock and may represent a major part of total carbonation of the ophiolite.

  18. Dissolution-precipitation processes governing the carbonation and silicification of the serpentinite sole of the New Caledonia ophiolite

    NASA Astrophysics Data System (ADS)

    Ulrich, M.; Munoz, M.; Guillot, S.; Cathelineau, M.; Picard, C.; Quesnel, B.; Boulvais, P.; Couteau, C.

    2014-12-01

    The weathering of mantle peridotite tectonically exposed to the atmosphere leads commonly to natural carbonation processes. Extensive cryptocrystalline magnesite veins and stock-work are widespread in the serpentinite sole of the New Caledonia ophiolite. Silica is systematically associated with magnesite. It is commonly admitted that Mg and Si are released during the laterization of overlying peridotites. Thus, the occurrence of these veins is generally attributed to a per descensum mechanism that involves the infiltration of meteoric waters enriched in dissolved atmospheric CO2. In this study, we investigate serpentinite carbonation processes, and related silicification, based on a detailed petrographic and crystal chemical study of serpentinites. The relationships between serpentine and alteration products are described using an original method for the analysis of micro-X-ray fluorescence images performed at the centimeter scale. Our investigations highlight a carbonation mechanism, together with precipitation of amorphous silica and sepiolite, based on a dissolution-precipitation process. In contrast with the per descensum Mg/Si-enrichment model that is mainly concentrated in rock fractures, dissolution-precipitation process is much more pervasive. Thus, although the texture of rocks remains relatively preserved, this process extends more widely into the rock and may represent a major part of total carbonation of the ophiolite.

  19. How Effective Are Simulated Molecular-Level Experiments for Teaching Diffusion and Osmosis?

    ERIC Educational Resources Information Center

    Meir, Eli; Perry, Judith; Stal, Derek; Maruca, Susan; Klopfer, Eric

    2005-01-01

    Diffusion and osmosis are central concepts in biology, both at the cellular and organ levels. They are presented several times throughout most introductory biology textbooks (e.g., Freeman, 2002), yet both processes are often difficult for students to understand (Odom, 1995; Zuckerman, 1994; Sanger "et al.", 2001; and results herein). Students…

  20. Simultaneous Equations Models of the Educational Process for High and Low Achievers. Fels Center of Government Discussion Paper No. 89.

    ERIC Educational Resources Information Center

    Boardman, Anthony E.; Phillips, Barbara R.

    Separate simultaneous equations models for the educational process for high and low achievers are estimated with two stage least squares for a sample of the 12th grade Coleman data. The nine observed endogenous variables concern cognitive, non-cognitive, and attitudinal factors. The 48 exogenous variables concern demographic, home, peer, teacher,…

  1. Overview of the government/industry workshop on opportunities for new materials in pulp and paper processing

    SciTech Connect

    Young, J.K.; Fowler, R.A.

    1994-05-01

    This report presents a synopsis of the presentations made at the two-day workshop conducted in Portland, Oregon, on August 12 and 13, 1993, for the Advanced Industrial Concepts division (AICD) of the US Department of Energy (DOE) Office of Industrial Technologies (OIT) and DOE national laboratory representatives from the pulp and paper industry. The information from the presentations is supplemented by additional statistics, as appropriate. The workshop objectives were (1) to develop a strategy and framework for collaboration between the pulp and paper industries and DOE`s national laboratories, (2) to identify major challenges to pulp and paper industry modernization, and (3) to identify research objectives for DOE national laboratories to improve materials and process technology in pulp and paper mills. Prior to the workshop, participants had the opportunity to tour paper mills and gain familiarity with pulp and paper processing methods. During the workshop, research needs for materials and processing that were identified at earlier AICD workshops were reviewed. Major problems of the pulp and paper industry were addressed, and ways in which DOE national laboratories are interacting with other industries to foster innovation and solve problems were presented. As a result of this and other workshops, a Pulp Paper Mill of the future strategy is being developed to address challenges identified in these proceedings. Continued efforts are expected by AICD to match candidate materials and processes from DOE national laboratories with the technology needs of pulp and paper mills.

  2. The Rehabilitation Project in Data Processing: A Prototype Demonstration Project of University, State Government and Industrial Cooperation.

    ERIC Educational Resources Information Center

    White, Robert C.; Cormier, Robert J., Eds.

    1986-01-01

    In cooperation with the Maine Bureau of Rehabilitation, the University of Maine established the Rehabilitation Project in Data Processing in 1978 to train physically handicapped individuals to become business application computer programmers. Discusses various aspects of the program, considered one of the most successful rehabilitation programs in…

  3. Technology and Public Policy. The Process of Technology Assessment in the Federal Government. Volume 1. Final Report.

    ERIC Educational Resources Information Center

    Coates, Vary T.

    A descriptive and analytical study was made of the process of planning, programming, and evaluation of technological projects and programs as carried out by 86 offices within federal executive agencies. The focus is on the extent to which techniques of technology assessment are used, based on interviews with 115 officials. Ninety-seven…

  4. Two-Particle Interference of Electron Pairs on a Molecular Level

    NASA Astrophysics Data System (ADS)

    Waitz, M.; Metz, D.; Lower, J.; Schober, C.; Keiling, M.; Pitzer, M.; Mertens, K.; Martins, M.; Viefhaus, J.; Klumpp, S.; Weber, T.; Schmidt-Böcking, H.; Schmidt, L. Ph. H.; Morales, F.; Miyabe, S.; Rescigno, T. N.; McCurdy, C. W.; Martín, F.; Williams, J. B.; Schöffler, M. S.; Jahnke, T.; Dörner, R.

    2016-08-01

    We investigate the photodouble ionization of H2 molecules with 400 eV photons. We find that the emitted electrons do not show any sign of two-center interference fringes in their angular emission distributions if considered separately. In contrast, the quasiparticle consisting of both electrons (i.e., the "dielectron") does. The work highlights the fact that nonlocal effects are embedded everywhere in nature where many-particle processes are involved.

  5. Two-Particle Interference of Electron Pairs on a Molecular Level.

    PubMed

    Waitz, M; Metz, D; Lower, J; Schober, C; Keiling, M; Pitzer, M; Mertens, K; Martins, M; Viefhaus, J; Klumpp, S; Weber, T; Schmidt-Böcking, H; Schmidt, L Ph H; Morales, F; Miyabe, S; Rescigno, T N; McCurdy, C W; Martín, F; Williams, J B; Schöffler, M S; Jahnke, T; Dörner, R

    2016-08-19

    We investigate the photodouble ionization of H_{2} molecules with 400 eV photons. We find that the emitted electrons do not show any sign of two-center interference fringes in their angular emission distributions if considered separately. In contrast, the quasiparticle consisting of both electrons (i.e., the "dielectron") does. The work highlights the fact that nonlocal effects are embedded everywhere in nature where many-particle processes are involved. PMID:27588854

  6. The status of medical laboratory towards of AFRO-WHO accreditation process in government and private health facilities in Addis Ababa, Ethiopia

    PubMed Central

    Mesfin, Eyob Abera; Taye, Bineyam; Belay, Getachew; Ashenafi, Aytenew

    2015-01-01

    Introduction The World Health Organization Regional Office for Africa (WHO AFRO) introduces a step wise incremental accreditation approach to improving quality of laboratory and it is a new initiative in Ethiopia and activities are performed for implementation of accreditation program. Methods Descriptive cross sectional study was conducted in 30 laboratory facilities including 6 laboratory sections to determine their status towards of accreditation using WHO AFRO accreditation checklist and 213 laboratory professionals were interviewed to assess their knowledge on quality system essentials and accreditation in Addis Ababa Ethiopia. Results Out of 30 laboratory facilities 1 private laboratory scored 156 (62%) points, which is the minimum required point for WHO accreditation and the least score was 32 (12.8%) points from government laboratory. The assessment finding from each section indicate that 2 Clinical chemistry (55.2% & 62.8%), 2 Hematology (55.2% & 62.8%), 2 Serology (55.2% & 62.8%), 2 Microbiology (55.2% & 62.4%), 1 Parasitology (62.8%) & 1 Urinalysis (61.6%) sections scored the minimum required point for WHO accreditation. The average score for government laboratories was 78.2 (31.2%) points, of these 6 laboratories were under accreditation process with 106.2 (42.5%) average score, while the private laboratories had 71.2 (28.5%) average score. Of 213 respondents 197 (92.5%) professionals had a knowledge on quality system essentials whereas 155 (72.8%) respondents on accreditation. Conclusion Although majority of the laboratory professionals had knowledge on quality system and accreditation, laboratories professionals were not able to practice the quality system properly and most of the laboratories had poor status towards the WHO accreditation process. Thus government as well as stakeholders should integrate accreditation program into planning and health policy. PMID:26889317

  7. British Muslims and the UK government's 'war on terror' within: evidence of a clash of civilizations or emergent de-civilizing processes?

    PubMed

    Vertigans, Stephen

    2010-03-01

    In the immediate aftermath of the September 2001 attacks on America, defending civilization was quickly established at the core of the 'war on terror'. Unintentionally or otherwise this incorporation of civilization connected with Samuel Huntington's 'Clash of Civilizations' thesis. Within the 'war on terror' the dark side of counterterrorism has become apparent through international practices like extrajudicial killing, extraordinary rendition and torture. The impact of Western governments' policies upon their indigenous Muslim populations has also been problematic but social and political analysis has been relatively limited. This paper seeks to help address the scarcity of sociological contributions. Hidden costs of the UK government's attempts to utilize violence and enhance social constraints within the nation-state are identified. It is argued that although counterterrorism strategies are contributing to a self-fulfilling spiral of hatred that could be considered evidence in support of the 'Clash of Civilizations', the thesis is unhelpful when trying to grasp the underlying processes. Instead the paper draws upon Norbert Elias's application of the concepts of 'civilizing' and 'de-civilizing' to help improve levels of understanding about the processes and consequences of particular Muslim communities being targeted by security forces. The paper concludes with an exploration of the majority of the population's acquiescence and willingness to accept restraints upon Muslims in order to safeguard their own security. PMID:20377595

  8. Characterization of the breakpoints of a polymorphic inversion complex detects strict and broad breakpoint reuse at the molecular level.

    PubMed

    Puerma, Eva; Orengo, Dorcas J; Salguero, David; Papaceit, Montserrat; Segarra, Carmen; Aguadé, Montserrat

    2014-09-01

    Inversions are an integral part of structural variation within species, and they play a leading role in genome reorganization across species. Work at both the cytological and genome sequence levels has revealed heterogeneity in the distribution of inversion breakpoints, with some regions being recurrently used. Breakpoint reuse at the molecular level has mostly been assessed for fixed inversions through genome sequence comparison, and therefore rather broadly. Here, we have identified and sequenced the breakpoints of two polymorphic inversions-E1 and E2 that share a breakpoint-in the extant Est and E1 + 2 chromosomal arrangements of Drosophila subobscura. The breakpoints are two medium-sized repeated motifs that mediated the inversions by two different mechanisms: E1 via staggered breaks and subsequent repair and E2 via repeat-mediated ectopic recombination. The fine delimitation of the shared breakpoint revealed its strict reuse at the molecular level regardless of which was the intermediate arrangement. The occurrence of other rearrangements in the most proximal and distal extended breakpoint regions reveals the broad reuse of these regions. This differential degree of fragility might be related to their sharing the presence outside the inverted region of snoRNA-encoding genes. PMID:24881049

  9. Coal hydrogasification process development. Volume II. Peat studies. Second annual technical progress report, government fiscal year 1980

    SciTech Connect

    Sprouse, K.M.; Rosemary, J.K.

    1980-10-20

    This report describes work performed on a program directed towards investigating the effects of peat hydrogasification in an entrained flow reactor. The program was conducted in three phases: peat dense-phase feed system flow studies, hydrogasification entrained flow reactor testing, and preliminary peat process economic evaluations. The peat dense-phase feeding studies included low-pressure (below 150 psig) testing at nominal solid peat flow rates of 1 ton/hr and analytical modeling efforts. The hydrogasification reactor testing was performed at peat flow rates of over 1000 lb/hr and reactor temperatures to 1900/sup 0/F in hydrogen atmospheres from 500 to 1000 psig. A simple analytical kinetic model was developed to predict total carbon conversion as a function of reactor operating variables and its agreement with experimental data was found to be excellent. Finally, preliminary process economics were established for three variations of the Cities Service/Rockwell (CS/R) Flash Hydropyrolysis Process with the cost of high-Btu gas ranging from $3.43 to $4.06 per million Btu.

  10. Exposure to low pH induces molecular level changes in the marine worm, Platynereis dumerilii.

    PubMed

    Wäge, Janine; Lerebours, Adelaide; Hardege, Jörg D; Rotchell, Jeanette M

    2016-02-01

    Fossil fuel emissions and changes in net land use lead to an increase in atmospheric CO2 concentration and a subsequent decrease of ocean pH. Noticeable effects on organisms' calcification rate, shell structure and energy metabolism have been reported in the literature. To date, little is known about the molecular mechanisms altered under low pH exposure, especially in non-calcifying organisms. We used a suppression subtractive hybridisation (SSH) approach to characterise differentially expressed genes isolated from Platynereis dumerilii, a non-calcifying marine polychaeta species, kept at normal and low pH conditions. Several gene sequences have been identified as differentially regulated. These are involved in processes previously considered as indicators of environment change, such as energy metabolism (NADH dehydrogenase, 2-oxoglutarate dehydrogenase, cytochrome c oxidase and ATP synthase subunit F), while others are involved in cytoskeleton function (paramyosin and calponin) and immune defence (fucolectin-1 and paneth cell-specific alpha-defensin) processes. This is the first study of differential gene expression in a non-calcifying, marine polychaete exposed to low pH seawater conditions and suggests that mechanisms of impact may include additional pathways not previously identified as impacted by low pH in other species. PMID:26476878

  11. Probing Solvation Dynamics around Aromatic and Biological Molecules at the Single-Molecular Level.

    PubMed

    Dopfer, Otto; Fujii, Masaaki

    2016-05-11

    Solvation processes play a crucial role in chemical reactions and biomolecular recognition phenomena. Although solvation dynamics of interfacial or biological water has been studied extensively in aqueous solution, the results are generally averaged over several solvation layers and the motion of individual solvent molecules is difficult to capture. This review describes the development and application of a new experimental approach, namely, picosecond time-resolved pump-probe infrared spectroscopy of size- and isomer-selected aromatic clusters, in which for the first time the dynamics of a single individual solvent molecule can be followed in real time. The intermolecular isomerization reaction is triggered by resonant photoionization (pump), and infrared photodissociation (probe) at variable delay generates the spectroscopic signature of salient properties of the reaction, including rates, yields, pathways, branching ratios of competing reactions, existence of reaction intermediates, occurrence of back reactions, and time scales of energy relaxation processes. It is shown that this relevant information can reliably be decoded from the experimental spectra by sophisticated molecular dynamics simulations. This review covers a description of the experimental strategies and spectroscopic methods along with all applications to date, which range from aromatic clusters with nonpolar solvent molecules to aromatic monohydrated biomolecules. PMID:27054835

  12. On reproduction in red algae: further research needed at the molecular level.

    PubMed

    García-Jiménez, Pilar; Robaina, Rafael R

    2015-01-01

    Multicellular red algae (Rhodophyta) have some of the most complex life cycles known in living organisms. Economically valuable seaweeds, such as phycocolloid producers, have a triphasic (gametophyte, carposporophyte, and tetrasporophyte) life cycle, not to mention the intricate alternation of generations in the edible "sushi-alga" nori. It is a well-known fact that reproductive processes are controlled by one or more abiotic factor(s), including day length, light quality, temperature, and nutrients. Likewise, endogenous chemical factors such as plant growth regulators have been reported to affect reproductive events in some red seaweeds. Still, in the genomic era and given the high throughput techniques at our disposal, our knowledge about the endogenous molecular machinery lags far behind that of higher plants. Any potential effective control of the reproductive process will entail revisiting most of these results and facts to answer basic biological questions as yet unresolved. Recent results have shed light on the involvement of several genes in red alga reproductive events. In addition, a working species characterized by a simple filamentous architecture, easy cultivation, and accessible genomes may also facilitate our task. PMID:25755663

  13. On reproduction in red algae: further research needed at the molecular level

    PubMed Central

    García-Jiménez, Pilar; Robaina, Rafael R.

    2015-01-01

    Multicellular red algae (Rhodophyta) have some of the most complex life cycles known in living organisms. Economically valuable seaweeds, such as phycocolloid producers, have a triphasic (gametophyte, carposporophyte, and tetrasporophyte) life cycle, not to mention the intricate alternation of generations in the edible “sushi-alga” nori. It is a well-known fact that reproductive processes are controlled by one or more abiotic factor(s), including day length, light quality, temperature, and nutrients. Likewise, endogenous chemical factors such as plant growth regulators have been reported to affect reproductive events in some red seaweeds. Still, in the genomic era and given the high throughput techniques at our disposal, our knowledge about the endogenous molecular machinery lags far behind that of higher plants. Any potential effective control of the reproductive process will entail revisiting most of these results and facts to answer basic biological questions as yet unresolved. Recent results have shed light on the involvement of several genes in red alga reproductive events. In addition, a working species characterized by a simple filamentous architecture, easy cultivation, and accessible genomes may also facilitate our task. PMID:25755663

  14. A GFP endometriosis model reveals important morphological characteristics of the angiogenic process that govern benign and malignant diseases.

    PubMed

    Machado, Daniel Escorsim; Palumbo, Antônio; Santos, João Marcos; Mattos, Rômulo Medina; dos Santos, Thiago Alves; Seabra, Sergio Henrique; Boldrini, Leonardo da Cunha; Perini, Jamila Alessandra; Nasciutti, Luiz Eurico

    2014-07-01

    Endometriosis involves the growth of endometriotic tissue outside the uterine cavity, and is frequently associated with different malignancies. A well-reported alteration in the disease microenvironment is the proliferation of new blood vessels around the lesions, as part of a necessary repertory to contribute to the invasiveness and development of infiltrating endometriosis. Therefore, the establishment of a reliable experimental model is essential to elucidate the contribution of angiogenesis and to develop new therapeutic approaches to endometriosis treatment. For this purpose we transplanted endometrial fragments from green fluorescent protein (GFP)-mice (n=20) into the peritoneal cavity of wild-type mice (n=20), and then analyzed the morphological changes and the process of angiogenesis. The lesions were cystic and vascularized, and showed morphological hallmarks such as endometrial glands and stroma. An increase in endometriotic lesion vascular density was revealed by immunostaining and RNAm expression for Vegf and its receptor Flk-1, and the lesions were confirmed as a tissue-donor source by GFP fluorescent cells. The same pattern was observed through staining of activated macrophages and an increase of about 25% in the number of macrophage-positive cells was also demonstrated in endometriotic lesions by flow cytometry, which concords with previous data that correlate endometriosis, angiogenesis and inflammation. According to our understanding, this is the first demonstration that the pattern of the angiogenic process in the GFP endometriosis model is very similar to that of cancer. These observations will be useful for investigation of the process of angiogenesis involved in the attachment and invasion of endometrial cells, as well as an in vivo platform model to study the effects of antiangiogenic drugs. PMID:24385307

  15. Nonadaptive processes governing early stages of polyploid evolution: Insights from a primary contact zone of relict serpentine Knautia arvensis (Caprifoliaceae).

    PubMed

    Hanzl, Martin; Kolář, Filip; Nováková, Dora; Suda, Jan

    2014-06-11

    • Premise of the study: Contact zones between polyploids and their diploid progenitors may provide important insights into the mechanisms of sympatric speciation and local adaptation. However, most published studies investigated secondary contact zones where the effects of genome duplication can be confounded by previous independent evolution of currently sympatric cytotypes. We compared genetically close diploid and autotetraploid serpentine cytotypes of Knautia arvensis (Caprifoliaceae) in a primary contact zone and evaluated the role of adaptive and nonadaptive processes for cytotype coexistence.• Methods: DNA flow cytometry was used to determine ploidy distribution at various spatial scales (from across the entire contact zone to microgeographic). Habitat preferences of diploids and polyploids were assessed by comparing vegetation composition of nearby ploidy-uniform sites and by recording plant species immediately surrounding both cytotypes in mixed-ploidy plots.• Key results: Tetraploids considerably outnumbered their diploid progenitors in the contact zone. Both cytotypes were segregated at all investigated spatial scales. This pattern was not driven by ecological shifts, because both diploids and tetraploids inhabited sites with nearly identical vegetation cover. Certain interploidy niche differentiation was indicated only at the smallest spatial scale; ecologically nonadaptive processes were most likely responsible for this difference.• Conclusions: We conclude that a shift in ecological preferences (i.e., the adaptive scenario) is not necessary for the establishment and evolutionary success of autopolyploid derivatives in primary contact zones. Spatial segregation that would support ploidy coexistence can also be achieved by ecologically nonadaptive processes, including the founder effect, limited dispersal ability, intense clonal growth, and triploid block. PMID:24920762

  16. Fires in Operating or Abandoned Coal Mines or Heaps of Reactive Materials and the Governing Transport and Reaction Processes

    NASA Astrophysics Data System (ADS)

    Wuttke, M. W.; Kessels, W.; Wessling, S.; Han, J.

    2007-05-01

    Spontaneous combustion is a world wide problem for technical operations in mining, waste disposal and power plant facilities. The principle driving the combustion is every where the same independent of the different reactive materials: Fresh air with the common oxygen content is getting in contact with the reactive material by human operations. The following reaction process produces heat at a usually low but constant rate. The reactive material in operating or abandoned coal mines, heaps of coal, waste or reactive minerals is most times strongly broken or fractured, such that the atmospheric oxygen can deeply penetrate into the porous or fractured media. Because the strongly broken or fractured medium with air filled pores and fractures is often combined with a low thermal conductivity of the bulk material the produced heat accumulates and the temperature increases with time. If the reactivity strongly increases with temperature, the temperature rise accelerates up to the "combustion temperature". Once the temperature is high enough the combustion process is determined by the oxygen transport to the combustion center rather than the chemical reactivity. Spontaneous combustion is thus a self- amplifying process where an initial small variation in the parameters and the starting conditions can create exploding combustion hot spots in an apparently homogenous material. The phenomenon will be discussed by various examples in the context of the German - Sino coal fire project. A temperature monitoring in hot fracture systems documents the strong influence of the weather conditions on the combustion process. Numerical calculations show the sensitivity of the combustion to the model geometries, the boundary conditions and mainly the permeability. The most used fire fighting operations like covering and water injection are discussed. A new method of using saltwater for fire fighting is presented and discussed. References: Kessels, W., Wessling, S., Li, X., and Wuttke, M

  17. Research Frontiers in Bioinspired Energy: Molecular-Level Learning from Natural Systems: A Workshop

    SciTech Connect

    Zolandz, Dorothy

    2012-03-28

    An interactive, multidisciplinary, public workshop, organized by a group of experts in biochemistry, biophysics, chemical and biomolecular engineering, chemistry, microbial metabolism, and protein structure and function, was held on January 6-7, 2011 in Washington, DC. Fundamental insights into the biological energy capture, storage, and transformation processes provided by speakers was featured in this workshop which included topics such as microbes living in extreme environments such as hydrothermal vents or caustic soda lakes (extremophiles) provided a fascinating basis for discussing the exploration and development of new energy systems. Breakout sessions and extended discussions among the multidisciplinary groups of participants in the workshop fostered information sharing and possible collaborations on future bioinspired research. Printed and web-based materials that summarize the committee's assessment of what transpired at the workshop were prepared to advance further understanding of fundamental chemical properties of biological systems within and between the disciplines. In addition, webbased materials (including two animated videos) were developed to make the workshop content more accessible to a broad audience of students and researchers working across disciplinary boundaries. Key workshop discussion topics included: Exploring and identifying novel organisms; Identifying patterns and conserved biological structures in nature; Exploring and identifying fundamental properties and mechanisms of known biological systems; Supporting current, and creating new, opportunities for interdisciplinary education, training, and outreach; and Applying knowledge from biology to create new devices and sustainable technology.

  18. Aquatic ecotoxicology: from the ecosystem to the cellular and molecular levels.

    PubMed Central

    Boudou, A; Ribeyre, F

    1997-01-01

    This review of aquatic ecotoxicology is presented in three parts. First, we discuss the fundamental concepts and stress the importance of its ecological basis and the complexity and diversity of the field of investigation, which result from actions and interactions between the physicochemical characteristics of the biotopes, the structural and functional properties of the living organisms, and the contamination modalities. Ecotoxicological mechanisms, regardless of the level of biological complexity, primarily depend on the bioavailability of the toxic products. Numerous processes control the chemical fate of contaminants in the water column and/or sediment compartments; accessibility to the biological barriers that separate the organisms from their surrounding medium depends directly on bioavailability. Second, we review the principal methodologies of the field, from in situ studies at the ecosystem/ecocomplex level to bioassays or single species tests. Third, we focus on mercury, selected as a reference contaminant, in order to illustrate the main ecotoxicological concepts, the complementarity between field and laboratory studies, and the indispensable multidisciplinarity of the approaches. PMID:9114275

  19. Molecular-level origins of biomass recalcitrance: decrystallization free energies for four common cellulose polymorphs.

    PubMed

    Beckham, Gregg T; Matthews, James F; Peters, Baron; Bomble, Yannick J; Himmel, Michael E; Crowley, Michael F

    2011-04-14

    Cellulose is a crystalline polymer of β1,4-D-glucose that is difficult to deconstruct to sugars by enzymes. The recalcitrance of cellulose microfibrils is a function of both the shape of cellulose microfibrils and the intrinsic work required to decrystallize individual chains, the latter of which is calculated here from the surfaces of four crystalline cellulose polymorphs: cellulose Iβ, cellulose Iα, cellulose II, and cellulose III(I). For edge chains, the order of decrystallization work is as follows (from highest to lowest): Iβ, Iα, ΙΙΙ(Ι), and II. For cellulose Iβ, we compare chains from three different locations on the surface and find that an increasing number of intralayer hydrogen bonds (from 0 to 2) increases the intrinsic decrystallization work. From these results, we propose a microkinetic model for the deconstruction of cellulose (and chitin) by processive enzymes, which when taken with a previous study [Horn et al. Proc. Natl. Acad. Sci. U.S.A. 2006, 103, 18089] identifies the thermodynamic and kinetic attributes of enzyme and substrate engineering for enhanced cellulose (or chitin) conversion. Overall, this study provides new insights into the molecular interactions that form the structural basis of cellulose, which is the primary building block of plant cell walls, and highlights the need for experimentally determining microfibril shape at the nanometer length scale when comparing conversion rates of cellulose polymorphs by enzymes. PMID:21425804

  20. New tools for the study of chromosome segregation and aneuploidy at the molecular level

    SciTech Connect

    Charlieu, J.P.; Marcais, B.; Laurent, A.M.; Roizes, G.

    1993-12-31

    The molecular mechanisms which allow the correct distribution of chromosomes during cell division are not yet well known. The centromere, because of its possible involvement in the attachment of sister chromatids and its participation in the formation of the kinetochore, may play an important role in these mechanisms. Trisomy 21 (down syndrome, DS) provides a good model for studying aneuploidy resulting from the dysfunction of the chromosome distribution process. A possible means of analyzing the mechanisms leading to non-disjunction (NDJ) could be to determine the origin of the supernumerary chromosome 21 and to attempt to find some structural or physical characteristics of the potentially responsible centromere. This could be performed by using molecular tools which allow each of the two parental chromosomes 21 to be distinguished. Possible markers suitable for this purpose are DNA fragments that exhibit length polymorphisms. We present here some examples of such molecular tools, and discuss ways to use them in order to study the parental origin and the meiotic stage of nondisjunction, and we propose an hypothesis suggesting a possible cause of nondisjunction in human chromosomes.

  1. Dispersing perylene diimide/SWCNT hybrids: structural insights at the molecular level and fabricating advanced materials.

    PubMed

    Tsarfati, Yael; Strauss, Volker; Kuhri, Susanne; Krieg, Elisha; Weissman, Haim; Shimoni, Eyal; Baram, Jonathan; Guldi, Dirk M; Rybtchinski, Boris

    2015-06-17

    The unique properties of carbon nanotubes (CNT) are advantageous for emerging applications. Yet, the CNT insolubility hampers their potential. Approaches based on covalent and noncovalent methodologies have been tested to realize stable dispersions of CNTs. Noncovalent approaches are of particular interest as they preserve the CNT's structures and properties. We report on hybrids, in which perylene diimide (PDI) amphiphiles are noncovalently immobilized onto single wall carbon nanotubes (SWCNT). The resulting hybrids were dispersed and exfoliated both in water and organic solvents in the presence of two different PDI derivatives, PP2b and PP3a. The dispersions were investigated using cryogenic transmission electron microscopy (cryo-TEM), providing unique structural insights into the exfoliation. A helical arrangement of PP2b assemblies on SWCNTs dominates in aqueous dispersions, while a single layer of PP2b and PP3a was found on SWCNTs in organic dispersions. The dispersions were probed by steady-state and time-resolved spectroscopies, revealing appreciable charge redistribution in the ground state, and an efficient electron transfer from SWCNTs to PDIs in the excited state. We also fabricated hybrid materials from the PP2b/SWCNT dispersions. A supramolecular membrane was prepared from aqueous dispersions and used for size-selective separation of gold nanoparticles. Hybrid buckypaper films were prepared from the organic dispersions. In the latter, high conductivity results from enhanced electronic communication and favorable morphology within the hybrid material. Our findings shed light onto SWCNT/dispersant molecular interactions, and introduce a versatile approach toward universal solution processing of SWCNT-based materials. PMID:25977989

  2. Investigating carbon dynamics in Siberian peat bogs using molecular-level analyses

    NASA Astrophysics Data System (ADS)

    Kaiser, K.; Benner, R. H.

    2013-12-01

    Total hydrolysable carbohydrates, and lignin and cutin acid compounds were analyzed in peat cores collected 56.8 N (SIB04), 58.4 N (SIB06), 63.8 N (G137) and 66.5 N (E113) in the Western Siberian Lowland to investigate vegetation, chemical compositions and the stage of decomposition. Sphagnum mosses dominated peatland vegetation in all four cores. High-resolution molecular analyses revealed rapid vegetation changes on timescales of 50-200 years in the southern cores Sib4 and Sib6. Syringyl and vanillyl (S/V) ratios and cutin acids indicated these vegetation changes were due to varying inputs of angiosperm and gymnosperm and root material. In the G137 and E113 cores lichens briefly replaced sphagnum mosses and vascular plants. Molecular decomposition indicators used in this study tracked the decomposition of different organic constituents of peat organic matter. The carbohydrate decomposition index was sensitive to the polysaccharide component of all peat-forming plants, whereas acid/aldehyde ratios of S and V phenols (Ac/AlS,V) followed the lignin component of vascular plants. Low carbohydrate decomposition indices in peat layers corresponded well with elevated (Ad/Al)S,V ratios. This suggested both classes of biochemicals were simultaneously decomposed, and decomposition processes were associated with extensive total mass loss in these ombrotrophic systems. Selective decomposition or transformation of lignin was observed in the permafrost-influenced northern cores G137 and E113. Both cores exhibited the highest (Ad/Al)S,V ratios, almost four-fold higher than measured in peat-forming plants. The extent of decomposition in the four peat cores did not uniformly increase with age, but showed episodic extensive decomposition events. Variable decomposition events independent of climatic conditions and vegetation shifts highlight the complexity of peatland dynamics.

  3. Molecular level assessment of thermal transport and thermoelectricity in materials: From bulk alloys to nanostructures

    NASA Astrophysics Data System (ADS)

    Kinaci, Alper

    The ability to manipulate material response to dynamical processes depends on the extent of understanding of transport properties and their variation with chemical and structural features in materials. In this perspective, current work focuses on the thermal and electronic transport behavior of technologically important bulk and nanomaterials. Strontium titanate is a potential thermoelectric material due to its large Seebeck coefficient. Here, first principles electronic band structure and Boltzmann transport calculations are employed in studying the thermoelectric properties of this material in doped and deformed states. The calculations verified that excessive carrier concentrations are needed for this material to be used in thermoelectric applications. Carbon- and boron nitride-based nanomaterials also offer new opportunities in many applications from thermoelectrics to fast heat removers. For these materials, molecular dynamics calculations are used to evaluate lattice thermal transport. To do this, first, an energy moment term is reformulated for periodic boundary conditions and tested to calculate thermal conductivity from Einstein relation in various systems. The influences of the structural details (size, dimensionality) and defects (vacancies, Stone-Wales defects, edge roughness, isotopic disorder) on the thermal conductivity of C and BN nanostructures are explored. It is observed that single vacancies scatter phonons stronger than other type of defects due to unsatisfied bonds in their structure. In pristine states, BN nanostructures have 4-6 times lower thermal conductivity compared to C counterparts. The reason of this observation is investigated on the basis of phonon group velocities, life times and heat capacities. The calculations show that both phonon group velocities and life times are smaller in BN systems. Quantum corrections are also discussed for these classical simulations. The chemical and structural diversity that could be attained by

  4. Vibrational spectroscopy to support the link between rheology and continuous twin-screw melt granulation on molecular level: A case study.

    PubMed

    Monteyne, Tinne; Heeze, Liza; Oldörp, Klaus; Vervaet, Chris; Remon, Jean-Paul; De Beer, Thomas

    2016-06-01

    Twin screw hot melt granulation (TSHMG) is an innovative and continuous drug formulation process allowing granulation of moisture sensitive drugs. However, due to the lack of experience and in-depth process understanding, this technique is not yet widely used. During the TSHMG process, the microstructure of the granules is generated and modified and strongly depends on the flow behavior of the material. Hence, rheology might be a suitable tool to simulate and examine this process. However, chemical interactions of the material are influencing the physical properties leading to the microstructure. In this research project it is spectroscopically investigated whether the heat applied in a rheometer induces the same molecular effects as these occurring during TSHMG of the model formulation caffeine anhydrous/Soluplus®. Hence, it is evaluated whether rheology can be used as a simulation tool to improve the understanding of the material behavior at molecular level during continuous melt granulation. Therefore, in-line Raman spectroscopy is executed during TSHMG and in situ Fourier Transform Infra-red (FTIR) during oscillatory rheological experiments. The results from the in-line Raman monitoring revealed polymorph transition of caffeine anhydrous during twin screw melt granulation with Soluplus® which is stimulated depending on the binder concentration and/or granulation temperature. A correlation was seen between the FTIR spectra obtained during the rheological temperature ramp and the in-line collected Raman spectra during the melt granulation runs. The polymorphic conversion of caffeine anhydrous could be detected in the same temperature range with both techniques, proving the comparability of plate-plate rheometry and hot melt granulation (HMG) for this case with the used parameter settings. Process simulation using rheology combined with in situ FTIR seems a promising approach to increase process understanding and to facilitate binder and parameter selection for

  5. The political process in global health and nutrition governance: the G8's 2010 Muskoka Initiative on Maternal, Child, and Newborn Health.

    PubMed

    Kirton, John; Kulik, Julia; Bracht, Caroline

    2014-12-01

    Why do informal, plurilateral summit institutions such as the Group of Eight (G8) major market democracies succeed in advancing costly public health priorities such as maternal, newborn, and child health (MNCH), even when the formal, multilateral United Nations (UN) system fails to meet such goals, when G8 governments afflicted by recession, deficit, and debt seek to cut expenditures, and when the private sector is largely uninvolved, despite the growing popularity of public-private partnerships to meet global health and related nutrition, food, and agriculture needs? Guided by the concert-equality model of G8 governance, this case study of the G8's 2010 Muskoka Initiative on MNCH traces the process through which that initiative was planned within Canada, internationally prepared through negotiations with Canada's G8 partners, produced at Muskoka by the leaders in June, multiplied in its results by the UN summit in September, and reinforced by the new accountability mechanism put in place. It finds that the Muskoka summit succeeded in mobilizing major money and momentum for MNCH. This was due to the initiative and influence of children-focused nongovernmental organizations (NGOs), working with committed individuals and agencies within the host Canadian government, as well as supportive public opinion and the help of those in the UN responsible for realizing its Millennium Development Goals. Also relevant were the democratic like-mindedness of G8 leaders and their African partners, the deference of G8 members to the host's priority, and the need of the G8 to demonstrate its relevance through a division of labor between it and the new Group of Twenty summit. This study shows that G8 summits can succeed in advancing key global health issues without a global shock on the same subject to galvanize agreement and action. It suggests that, when committed, focused NGOs and government officials will lead and the private sector will follow, but that there will be a lag in the

  6. Coexistence of spinodal instability and thermal nucleation in thin-film rupture:Insights from molecular levels

    SciTech Connect

    Nguyen, Trung D; Fuentes-Cabrera, Miguel A; Fowlkes, Jason Davidson; Rack, Philip D

    2014-01-01

    Despite extensive investigation using hydrodynamic models and experiments over the past decades, there remain open questions regarding the origin of the initial rupture of thin liquid films. One of the reasons that makes it difficult to identify the rupture origin is the coexistence of two dewettingmechanisms, namely, thermal nucleation and spinodal instability, as observed in many experimental studies. Using a coarse-grained model and large-scale molecular dynamics simulations, we are able to characterize the very early stage of dewetting in nanometer-thick liquid-metal films wetting a solid substrate. We observe the features characteristic of both spinodal instability and thermal nucleation in the spontaneously dewetting films and show that these two macroscopic mechanisms share a common origin at molecular levels.

  7. In Situ Molecular Level Studies on Membrane Related Peptides and Proteins in Real Time Using Sum Frequency Generation Vibrational Spectroscopy

    PubMed Central

    Ye, Shuji; Nguyen, Khoi Tan; Le Clair, Stéphanie V.; Chen, Zhan

    2009-01-01

    Sum frequency generation (SFG) vibrational spectroscopy has been demonstrated to be a powerful technique to study the molecular structures of surfaces and interfaces in different chemical environments. This review summarizes recent SFG studies on hybrid bilayer membranes and substrate-supported lipid monolayers and bilayers, the interaction between peptides/proteins and lipid monolayers/bilayers, and bilayer perturbation induced by peptides/proteins. To demonstrate the ability of SFG to determine the orientations of various secondary structures, studies on the interaction between different peptides/proteins (melittin, G proteins, almethicin, and tachyplesin I) and lipid bilayers are discussed. Molecular level details revealed by SFG in these studies show that SFG can provide a unique understanding on the interactions between a lipid monolayer/bilayer and peptides/proteins in real time, in situ and without any exogenous labeling. PMID:19306928

  8. Enhanced strength in reduced graphene oxide/nickel composites prepared by molecular-level mixing for structural applications

    NASA Astrophysics Data System (ADS)

    Zhao, Chao

    2015-02-01

    An effective molecular-level mixing approach was used to prepare reduced graphene oxide (rGO)/Ni powders, which were directly consolidated into rGO/Ni composites by spark plasma sintering. The rGO/Ni composites were found to exhibit a homogeneous dispersion of rGO and a strong interfacial bonding between the rGO and the Ni matrix. The enhanced interfacial bonding was attributed to the oxygen-mediated bonding generated from the interactions between the residue functional groups of rGO and the Ni atoms. Tensile test revealed that 1.5 wt% rGO/Ni composites demonstrated a 95.2 % increase in tensile strength and a 327.6 % increase in yield strength, while simultaneously retained a 12.1 % of elongation. This study thus proposed an effective way to fabricate rGO/Ni composites with enhanced tensile properties.

  9. 2D Confined-Space Assisted Growth of Molecular-Level-Thick Polypyrrole Sheets with High Conductivity and Transparency.

    PubMed

    Yang, Yang; Wang, Dong; Wu, Yongjin; Tian, Xiaorui; Qin, Haili; Hu, Liang; Zhang, Ting; Ni, Weihai; Jin, Jian

    2016-04-01

    Herein, the use of a 2D soft template system composed of hundred-nanometer-thick water/ethanol mixed layers sandwiched by lamellar bilayer membranes of a self-assembled amphiphilic molecule to produce ultrathin polyprrole (PPy) with a uniform thickness as thin as 3.8 nm and with large dimensions (>2 μm(2) ) is presented. The obtained PPy nanosheets exhibit regioregularity with ordered chain alignment where the polymer chains in the nanosheets produced are well aligned with a clear interchain spacing as confirmed by small-angle X-ray scattering measurement. The molecular-level-thick PPy nanosheets exhibit extremely high conductivity up to 1330 S m(-1) , thanks to the ordered alignment of polymer chains in the nanosheets, and a high transparency in both the visible region (transmittance >99%) and near-infrared region (transmittance >93%). PMID:26833631

  10. Individual and molecular level effects of produced water contaminants on nauplii and adult females of Calanus finmarchicus.

    PubMed

    Jensen, Louise Kiel; Halvorsen, Elisabeth; Song, You; Hallanger, Ingeborg G; Hansen, Elisabeth Lindbo; Brooks, Steven J; Hansen, Bjørn Henrik; Tollefsen, Knut Erik

    2016-01-01

    In the Barents Sea region new petroleum fields are discovered yearly and extraction of petroleum products is expected to increase in the upcoming years. Despite enhanced technology and stricter governmental legislation, establishment of the petroleum industry in the Barents Sea may potentially introduce a new source of contamination to the area, as some discharges of produced water will be allowed. Whether the presence of produced water poses a risk to the Arctic marine life remains to be investigated. The aim of this study was to examine effects of exposure to several compounds found in produced water-a mixture of selected organic compounds (APW), radium-226 ((226)Ra), barium (Ba), and a scale inhibitor-on the copepod species Calanus finmarchicus. Experiments were performed using exposure concentrations at realistic levels based on those detected in the vicinity of known discharge points. The influence of lethal and sublethal effects on early life stages was determined and significantly lower survival in the APW exposure groups was found. In the Ba treatment the life stage development did not proceed to the same advanced stages as observed in the control (filtered sea water). The scale inhibitor and (226)Ra treatments showed no significant difference from control. In addition, adult females were exposed to APW, (226)Ra, and a mixture of the two. Both individual-level effects (egg production and feeding) and molecular-level effects (gene expression) were assessed. On the individual level endpoints, only treatments including APW produced an effect compared to control. However, on the molecular level the possibility that also (226)Ra induced toxicologically relevant effects cannot be ruled out. PMID:27484140

  11. Synthesis of organic-inorganic hybrid fillers at the molecular level and their application to composite resin.

    PubMed

    Anzai, Misaki; Ishikawa, Youichi; Yoshihashi, Kazue; Hirose, Hideharu; Nishiyama, Minoru

    2002-12-01

    The objective of this study was to synthesize a hybrid type filler composed of an organic component with inorganic component at the molecular level and to examine the properties of the filler. The composite resin was prepared by mixing synthesized filler with monomer and its physical properties were also examined. An organic-inorganic hybrid filler was synthesized by using 3-methacryloxypropyltrimethoxysilane (3-MPTS), methyltriethyoxysilane (MTES) and methanol silica sol. Firstly, poly3-methacryloxypropyltrimethoxysilane (poly3-MPTS) was synthesized by polymerization of 3-MPTS. A gelation product was obtained by graft-polymerization of poly3-MPTS with condensed organopolysiloxane after the hydrolysis of 3-MPTS, MTES and methanol silica sol. The gelation product was dried and ground to a filler. From the results of thermogravimetry-differential thermal analysis (TG-DTA), the organic-inorganic hybrid filler was found to be composed of 16.5 wt% organic component, 83.1 wt% inorganic component and 0.4 wt% residual water. A trial composite resin was prepared by mixing 55 wt% dimethacryloxyethyl 2,2,4-trimethylhexamethylene diurethane (UDMA), 15 wt% triethyleneglycol dimethacrylate (TEGDMA), 30 wt% 1-fluoro-1,3,3,5,5-penta (methacryloxyethyleneoxy) cyclotriphosphazene [P3N3(F)1 (EMA)5] as a base monomer and then 32.0 wt% of this monomer was mixed with 68.0 wt % of synthesized filler and a photo initiator, comphorquinone (CQ), was added. Compressive strength of the trial visible-light cured composite resin showed 397.0 MPa, and flexural strength and elastic modulus showed 142.5 MPa and 11.5 GPa, respectively. From the results, it was demonstrated that the present organic-inorganic hybrid filler at the molecular level can be used as a composite resin filler. PMID:12613504

  12. Reinventing government

    SciTech Connect

    Hanson, D.J.; Lepkowski, W.; Long, J.R.; Zurer, P.S.

    1993-10-11

    Both Clinton and Vice President Al Gore are committed to reinventing the federal government. To do so they will need more than a little help from Congress. But, if they succeed in turning the report's recommendations into reality, substantial change will occur in the way the federal government interacts with the chemical community in areas such as environmental and safety and health regulation, science and technology policy, education, and research priority setting. The report is the result of a six-month effort by the National Performance Review (NPR), a group led by Gore. It contains some 400 specific recommendations for changing the ways the federal government operates. These recommendations, if enacted the report claims, would produced savings of $108 billion over five years and reduce the size of the civilian, nonpostal work force by 12%, 252 positions, over the same period. The Department of Energy is the target of eight NPR recommendations. But the one with the most direct relevance to R and D calls for directing its national laboratories to pursue post-Cold War research priorities. Efforts to shift the labs away from their defense orientation began during the Carter presidency, when all of the labs began establishing stronger research programs in environmental science and technology and biology.

  13. Research and development of methods and tools for achieving and maintaining consensus processes in the face of change within and among government oversight agencies: Volume 1

    SciTech Connect

    Not Available

    1992-03-01

    This progress report summarizes our research activities under our consensus grant. In year four of the grant, we continued to capitalize on and benefit from historical events which drove our early emphasis on group process studies. Following our work on various procedures for bringing together groups such as the State and Tribal Government Working Group and the Stakeholders' Forum (both of which provide input to the Five-Year Waste Plan), we continue to observe these groups and collect data. We also began a configuration study involving the complex modeling of DOE's Office of Environmental Restoration and Waste Management (EM). Related to group process studies is the issue of the information requirements for individuals making decisions in consensus groups. Our information studies examined the requirements for decision-related information, frameworks for such information, and the effectiveness of information portrayed for decision making. However, we were able not only to continue studying consensus groups in action and related information issues, but also to focus considerable attention on the fundamental side of our research. The fundamental or basic research conducted in year four included: (1) expanding our literature database; (2) beginning the writing of the literature review summary document and the consensus guide; (3) developing frameworks and models such as the Environmental Trilogy model and a structural equations model of the consensus process; and (4) conducting laboratory studies concerning the effects of the presence of an expert, met expectations, opportunity to express views, incentive structure and conflict type (competitive versus collaborative) on consensus outcomes.

  14. REST-Governed Gene Expression Profiling in a Neuronal Cell Model Reveals Novel Direct and Indirect Processes of Repression and Up-Regulation

    PubMed Central

    Garcia-Manteiga, Jose M.; Bonfiglio, Silvia; Folladori, Lucrezia; Malosio, Maria L.; Lazarevic, Dejan; Stupka, Elia; Cittaro, Davide; Meldolesi, Jacopo

    2015-01-01

    The role of REST changes in neurons, including the rapid decrease of its level during differentiation and its fluctuations during many mature functions and diseases, is well established. However, identification of many thousand possible REST-target genes, mostly based on indirect criteria, and demonstration of their operative dependence on the repressor have been established for only a relatively small fraction. In the present study, starting from our recently published work, we have expanded the identification of REST-dependent genes, investigated in two clones of the PC12 line, a recognized neuronal cell model, spontaneously expressing different levels of REST: very low as in neurons and much higher as in most non-neural cells. The molecular, structural and functional differences of the two PC12 clones were shown to depend largely on their different REST level and the ensuing variable expression of some dependent genes. Comprehensive RNA-Seq analyses of the 13,700 genes expressed, validated by parallel RT-PCR and western analyses of mRNAs and encoded proteins, identified in the high-REST clone two groups of almost 900 repressed and up-regulated genes. Repression is often due to direct binding of REST to target genes; up-regulation to indirect mechanism(s) mostly mediated by REST repression of repressive transcription factors. Most, but not all, genes governing neurosecretion, excitability, and receptor channel signaling were repressed in the high REST clone. The genes governing expression of non-channel receptors (G protein-coupled and others), although variably affected, were often up-regulated together with the genes of intracellular kinases, small G proteins, cytoskeleton, cell adhesion, and extracellular matrix proteins. Expression of REST-dependent genes governing functions other than those mentioned so far were also identified. The results obtained by the parallel investigation of the two PC12 clones revealed the complexity of the REST molecular and

  15. Governance and Civic Education.

    ERIC Educational Resources Information Center

    Thompson, Ekundayo J. D., Ed.

    This book contains 13 papers on the socioeconomic development, legal, gender, philosophical, and human rights dimensions of state governance within the context of social, economic, and political processes in Sierra Leone and Kenya. The Political Literacy and Civic Education (PLACE) Project, which was sponsored by the British Overseas Development…

  16. Source Apportionment of Background PAHs in the Peace-Athabasca Delta (Alberta, Canada) Using Molecular Level Radiocarbon Analysis.

    PubMed

    Jautzy, Josué J; Ahad, Jason M E; Hall, Roland I; Wiklund, Johan A; Wolfe, Brent B; Gobeil, Charles; Savard, Martine M

    2015-08-01

    The downstream accumulation of polycyclic aromatic hydrocarbons (PAHs) in the Peace-Athabasca Delta (PAD), an ecologically important landscape, is a key issue of concern given the rapid development of the oil sands industry in Northern Alberta, Canada. In addition to PAHs derived from industrial activity (i.e., oil sands mining) within the Athabasca watershed, however, forest fires and erosion of fossil fuel deposits within both the Athabasca and Peace watersheds are two potentially important natural sources of PAHs delivered to the PAD. Consequently, evaluating the environmental impact of mining activities requires a quantitative understanding of natural, background PAHs. Here, we utilize molecular-level natural-abundance radiocarbon measurements on an amalgamated sediment record from a Peace River flood-susceptible oxbow lake in the northern Peace sector of the PAD to quantitatively discriminate sources of naturally occurring alkylated PAHs (fossil and modern biomass). A radiocarbon mass balance quantified a predominantly natural petrogenic source (93% petrogenic, 7% forest fire) for alkylated PAHs during the past ∼50 years. Additionally, a significant petrogenic component determined for retene, a compound usually considered a biomarker for softwood combustion, suggests that its use as a unique forest fire indicator may not be suitable in PAD sediments receiving Peace watershed-derived fluvial inputs. PMID:26115178

  17. Quantifying Molecular-Level Cell Adhesion on Electroactive Conducting Polymers using Electrochemical-Single Cell Force Spectroscopy

    NASA Astrophysics Data System (ADS)

    Zhang, Hongrui; Molino, Paul J.; Wallace, Gordon G.; Higgins, Michael J.

    2015-09-01

    Single Cell Force Spectroscopy was combined with Electrochemical-AFM to quantify the adhesion between live single cells and conducting polymers whilst simultaneously applying a voltage to electrically switch the polymer from oxidized to reduced states. The cell-conducting polymer adhesion represents the non-specific interaction between cell surface glycocalyx molecules and polymer groups such as sulfonate and dodecylbenzene groups, which rearrange their orientation during electrical switching. Single cell adhesion significantly increases as the polymer is switched from an oxidized to fully reduced state, indicating stronger cell binding to sulfonate groups as opposed to hydrophobic groups. This increase in single cell adhesion is concomitant with an increase in surface hydrophilicity and uptake of cell media, driven by cation movement, into the polymer film during electrochemical reduction. Binding forces between the glycocalyx and polymer surface are indicative of molecular-level interactions and during electrical stimulation there is a decrease in both the binding force and stiffness of the adhesive bonds. The study provides insight into the effects of electrochemical switching on cell adhesion at the cell-conducting polymer interface and is more broadly applicable to elucidating the binding of cell adhesion molecules in the presence of electrical fields and directly at electrode interfaces.

  18. Quantifying Molecular-Level Cell Adhesion on Electroactive Conducting Polymers using Electrochemical-Single Cell Force Spectroscopy.

    PubMed

    Zhang, Hongrui; Molino, Paul J; Wallace, Gordon G; Higgins, Michael J

    2015-01-01

    Single Cell Force Spectroscopy was combined with Electrochemical-AFM to quantify the adhesion between live single cells and conducting polymers whilst simultaneously applying a voltage to electrically switch the polymer from oxidized to reduced states. The cell-conducting polymer adhesion represents the non-specific interaction between cell surface glycocalyx molecules and polymer groups such as sulfonate and dodecylbenzene groups, which rearrange their orientation during electrical switching. Single cell adhesion significantly increases as the polymer is switched from an oxidized to fully reduced state, indicating stronger cell binding to sulfonate groups as opposed to hydrophobic groups. This increase in single cell adhesion is concomitant with an increase in surface hydrophilicity and uptake of cell media, driven by cation movement, into the polymer film during electrochemical reduction. Binding forces between the glycocalyx and polymer surface are indicative of molecular-level interactions and during electrical stimulation there is a decrease in both the binding force and stiffness of the adhesive bonds. The study provides insight into the effects of electrochemical switching on cell adhesion at the cell-conducting polymer interface and is more broadly applicable to elucidating the binding of cell adhesion molecules in the presence of electrical fields and directly at electrode interfaces. PMID:26335299

  19. Quantifying Molecular-Level Cell Adhesion on Electroactive Conducting Polymers using Electrochemical-Single Cell Force Spectroscopy

    PubMed Central

    Zhang, Hongrui; Molino, Paul J.; Wallace, Gordon G.; Higgins, Michael J.

    2015-01-01

    Single Cell Force Spectroscopy was combined with Electrochemical-AFM to quantify the adhesion between live single cells and conducting polymers whilst simultaneously applying a voltage to electrically switch the polymer from oxidized to reduced states. The cell-conducting polymer adhesion represents the non-specific interaction between cell surface glycocalyx molecules and polymer groups such as sulfonate and dodecylbenzene groups, which rearrange their orientation during electrical switching. Single cell adhesion significantly increases as the polymer is switched from an oxidized to fully reduced state, indicating stronger cell binding to sulfonate groups as opposed to hydrophobic groups. This increase in single cell adhesion is concomitant with an increase in surface hydrophilicity and uptake of cell media, driven by cation movement, into the polymer film during electrochemical reduction. Binding forces between the glycocalyx and polymer surface are indicative of molecular-level interactions and during electrical stimulation there is a decrease in both the binding force and stiffness of the adhesive bonds. The study provides insight into the effects of electrochemical switching on cell adhesion at the cell-conducting polymer interface and is more broadly applicable to elucidating the binding of cell adhesion molecules in the presence of electrical fields and directly at electrode interfaces. PMID:26335299

  20. Molecular-Level Thermodynamic Switch Controls Chemical Equilibrium in Sequence-Specific Hydrophobic Interaction of 35 Dipeptide Pairs

    PubMed Central

    Chun, Paul W.

    2003-01-01

    Applying the Planck-Benzinger methodology, the sequence-specific hydrophobic interactions of 35 dipeptide pairs were examined over a temperature range of 273–333 K, based on data reported by Nemethy and Scheraga in 1962. The hydrophobic interaction in these sequence-specific dipeptide pairs is highly similar in its thermodynamic behavior to that of other biological systems. The results imply that the negative Gibbs free energy change minimum at a well-defined stable temperature, 〈Ts〉, where the bound unavailable energy, TΔSo = 0, has its origin in the sequence-specific hydrophobic interactions, are highly dependent on details of molecular structure. Each case confirms the existence of a thermodynamic molecular switch wherein a change of sign in ΔCpo(T)reaction (change in specific heat capacity of reaction at constant pressure) leads to true negative minimum in the Gibbs free energy change of reaction, ΔGo(T)reaction, and hence a maximum in the related equilibrium constant, Keq. Indeed, all interacting biological systems examined to date by Chun using the Planck-Benzinger methodology have shown such a thermodynamic switch at the molecular level, suggesting its existence may be universal. PMID:12547816

  1. Modification of nanocrystalline WO3 with a dicationic perylene bisimide: applications to molecular level solar water splitting.

    PubMed

    Ronconi, Federico; Syrgiannis, Zois; Bonasera, Aurelio; Prato, Maurizio; Argazzi, Roberto; Caramori, Stefano; Cristino, Vito; Bignozzi, Carlo Alberto

    2015-04-15

    [(N,N'-Bis(2-(trimethylammonium)ethylene) perylene 3,4,9,10-tetracarboxylic acid bisimide)(PF6)2] (1) was observed to spontaneously adsorb on nanocrystalline WO3 surfaces via aggregation/hydrophobic forces. Under visible irradiation (λ > 435 nm), the excited state of 1 underwent oxidative quenching by electron injection (kinj > 10(8) s(-1)) to WO3, leaving a strongly positive hole (Eox ≈ 1.7 V vs SCE), which allows to drive demanding photo-oxidation reactions in photoelectrochemical cells (PECs). The casting of IrO2 nanoparticles (NPs), acting as water oxidation catalysts (WOCs) on the sensitized electrodes, led to a 4-fold enhancement in photoanodic current, consistent with hole transfer from oxidized dye to IrO2 occurring on the microsecond time scale. Once the interaction of the sensitizer with suitable WOCs is optimized, 1/WO3 photoanodes may hold potentialities for the straightforward building of molecular level devices for solar fuel production. PMID:25837588

  2. Strong interfacial polarization in ZnO decorated reduced-graphene oxide synthesized by molecular level mixing.

    PubMed

    Jammula, Rama Krishna; Pittala, Suresh; Srinath, Sanyadhanam; Srikanth, Vadali V S S

    2015-07-14

    Globally, there is a great demand for energy storage materials and devices. In this context, charge storage capacitors are of great prominence. Metal oxide-graphene composites are excellent candidates for charge storage materials. This is because the dielectric properties of these composites can be controlled by the nature, dimensions and spatial distribution of the conductive components in these composites. ZnO decorated reduced-graphene oxide (r-GO) is synthesized and studied in this context. ZnO-r-GO composites are synthesized using molecular-level mixing. The composites are named as ZnO-0.1G, ZnO-0.2G and ZnO-0.3G in the order of increasing r-GO content. At 1 kHz, the dielectric permittivity (ε') values of ZnO-0.1G, ZnO-0.2G and ZnO-0.3G are nearly 11 (ε' = 114), 15 (ε' = 153) and 40 (ε' = 400) times greater than that of ZnO (ε' = 10). The strong interfacial polarization (Maxwell-Wagner polarization) in these composites is attributed to the presence of functional groups (which are polar in nature) on the r-GO sheets and also to the presence of lattice and/or topological defects in the r-GO. Temperature dependent electric modulus (M'') studies further confirm the observed interfacial polarization. PMID:26073161

  3. Engineering the Crystalline Morphology of Polymer Thin Films at a Molecular Level via Matrix Assisted Pulsed Laser Evaporation

    NASA Astrophysics Data System (ADS)

    Jeong, Hyuncheol; Arnold, Craig; Priestley, Rodney

    2015-03-01

    Controlling the crystalline morphology of polymeric thin films at a molecular level has been increasingly important due to their potential as the active layer in organic electronics. Typically, the crystalline morphology in films is achieved via thermal annealing or melt-crystallization of spin-cast polymers. This approach often leads to a spherulitic morphology where the crystalline lamellae grow in all directions. Here, we introduce an alternative approach to make crystalline polymer films via Matrix Assisted Pulsed Laser Evaporation (MAPLE). Using polyethylene oxide (PEO) as a model polymer, we show that the preferential orientation of polymer crystals can be controlled during the film growth. By laser-ablating a frozen dilute solution of the desired polymer, MAPLE provides a non-destructive means for the deposition of polymer films. Due to the liquid nature of as-deposited polymers confined in nanodroplets, this technique can exploit the substrate effect on the crystal nucleation and growth of nano-confined polymers during the film growth. Mimicking the epitaxial growth of metallic films, this novel polymer deposition technique may enable the engineering of film properties in a way not achievable in bulk.

  4. Molecular-Level Insights into the Reactivity of Siloxane-Based Electrolytes at a Lithium-Metal Anode

    SciTech Connect

    Assary, Rajeev S.; Lu, Jun; Luo, Xiangyi; Zhang, Xiaoyi; Ren, Yang; Wu, Huiming; Albishri, Hassan M.; El-Hady, D. A.; Al-Bogami, A. S.; Curtiss, Larry A.; Amine, Khalil

    2014-07-21

    A molecular-level understanding of the reactions that occur at the lithium-metal anode/electrolyte interphase is essential to improve the performance of Li–O2 batteries. Experimental and computational techniques are applied to explore the reactivity of tri(ethylene glycol)-substituted trimethylsilane (1NM3), a siloxane-based ether electrolyte, at the lithium-metal anode. In situ/ex situ X-ray diffraction and Fourier-transform infrared spectroscopy studies provide evidence of the formation of lithium hydroxide and lithium carbonates at the anode upon gradual degradation of the metallic lithium anode and the solvent molecules in the presence of oxygen. Density functional calculations performed to obtain a mechanistic understanding of the reductive decomposition of 1NM3 indicate that the decomposition does not require any apparent barrier to produce lithium hydroxide and lithium carbonates when the reduced 1NM3 solvent molecules interact with the oxygen crossing over from the cathode. This study indicates that degradation may be more significant in the case of the 1NM3 solvent, compared to linear ethers such as tetraglyme or dioxalone, because of its relatively high electron affinity. Also, both protection of the lithium metal and prevention of oxygen crossover to the anode are essential for minimizing electrolyte and anode decomposition.

  5. IBS: transforming our governance.

    PubMed

    Basford, Kaye E

    2011-12-01

    After more than 60 years, the Legislative Council overwhelming approved a revised governance structure for the International Biometric Society (IBS) to take effect from 1 January 2012. Responsibility for the governance and leadership of the society will be combined and placed in the hands of an Executive Board, supported by a much larger Representative Council. The Representative Council will be composed of members selected by the different regions (or geographical components) of the society. It will be responsible for overseeing the nomination and election (by the whole society) of the Executive Board and provide the conduit between the regions and this leadership team. Members of the Representative Council will also chair the Standing Committees. The transition process to the new governance structure is outlined, as are focus issues for the next decade. PMID:22050135

  6. Initial Molecular-Level Response to Artificial Selection for Increased Aerobic Metabolism Occurs Primarily through Changes in Gene Expression.

    PubMed

    Konczal, Mateusz; Babik, Wiesław; Radwan, Jacek; Sadowska, Edyta T; Koteja, Paweł

    2015-06-01

    Experimental evolution combined with genome or transcriptome resequencing (Evolve and Resequence) represents a promising approach for advancing our understanding of the genetic basis of adaptation. Here, we applied this strategy to investigate the effect of selection on a complex trait in lines derived from a natural population of a small mammal. We analyzed the liver and heart transcriptomes of bank voles (Myodes [=Clethrionomys] glareolus) that had been selected for increased aerobic metabolism. The organs were sampled from 13th generation voles; at that point, the voles from four replicate selected lines had 48% higher maximum rates of oxygen consumption than those from four control lines. At the molecular level, the response to selection was primarily observed in gene expression: Over 300 genes were found to be differentially expressed between the selected and control lines and the transcriptome-wide pattern of expression distinguished selected lines from controls. No evidence for selection-driven changes of allele frequencies at coding sites was found: No single nucleotide polymorphism (SNP) changed frequency more than expected under drift alone and frequency changes aggregated over all SNPs did not separate selected and control lines. Nevertheless, among genes which showed highest differentiation in allele frequencies between selected and control lines we identified, using information about gene functions and the biology of the selected phenotype, plausible targets of selection; these genes, together with those identified in expression analysis, have been prioritized for further studies. Because our selection lines were derived from a natural population, the amount and the spectrum of variation available for selection probably closely approximated that typically found in populations of small mammals. Therefore, our results are relevant to the understanding of the molecular basis of complex adaptations occurring in natural vertebrate populations. PMID:25739734

  7. Modelling Molecular Mechanisms: A Framework of Scientific Reasoning to Construct Molecular-Level Explanations for Cellular Behaviour

    NASA Astrophysics Data System (ADS)

    van Mil, Marc H. W.; Boerwinkel, Dirk Jan; Waarlo, Arend Jan

    2013-01-01

    Although molecular-level details are part of the upper-secondary biology curriculum in most countries, many studies report that students fail to connect molecular knowledge to phenomena at the level of cells, organs and organisms. Recent studies suggest that students lack a framework to reason about complex systems to make this connection. In this paper, we present a framework that could help students to reason back and forth between cells and molecules. It represents both the general type of explanation in molecular biology and the research strategies scientists use to find these explanations. We base this framework on recent work in the philosophy of science that characterizes explanations in molecular biology as mechanistic explanations. Mechanistic explanations describe a phenomenon in terms of the entities involved, the activities displayed and the way these entities and activities are organized. We conclude that to describe cellular phenomena scientists use entities and activities at multiple levels between cells and molecules. In molecular biological research, scientists use heuristics based on these intermediate levels to construct mechanistic explanations. They subdivide a cellular activity into hypothetical lower-level activities (top-down approaches) and they predict and test the organization of macromolecules into functional modules that play a role in higher-level activities (bottom-up approaches). We suggest including molecular mechanistic reasoning in biology education and we identify criteria for designing such education. Education using molecular mechanistic reasoning can build on common intuitive reasoning about mechanisms. The heuristics that scientists use can help students to apply this intuitive notion to the levels in between molecules and cells.

  8. Protein tyrosine phosphatase 1B inhibitors: a molecular level legitimate approach for the management of diabetes mellitus.

    PubMed

    Thareja, Suresh; Aggarwal, Saurabh; Bhardwaj, T R; Kumar, Manoj

    2012-05-01

    Diabetes mellitus is a systemic disease responsible for morbidity in the western world and is gradually becoming prevalent in developing countries too. The prevalence of diabetes is rapidly increasing in industrialized countries and type 2 diabetes accounts for 90% of the disease. Insulin resistance is a major pathophysiological factor in the development of type 2 diabetes, occurring mainly in muscle, adipose tissues, and liver leading to reduced glucose uptake and utilization and increased glucose production. The prevalence and rising incidence of diabetes emphasized the need to explore new molecular targets and strategies to develop novel antihyperglycemic agents. Protein Tyrosine Phosphatase 1B (PTP 1B) has recently emerged as a promising molecular level legitimate therapeutic target in the effective management of type 2 diabetes. PTP 1B, a cytosolic nonreceptor PTPase, has been implicated as a negative regulator of insulin signal transduction. Therefore, PTP 1B inhibitors would increase insulin sensitivity by blocking the PTP 1B-mediated negative insulin signaling pathway and might be an attractive target for type 2 diabetes mellitus and obesity. With X-ray crystallography and NMR-based fragment screening, the binding interactions of several classes of inhibitors have been elucidated, which could help the design of future PTP 1B inhibitors. The drug discovery research in PTP 1B is a challenging area to work with and many pharmaceutical organizations and academic research laboratories are focusing their research toward the development of potential PTP 1B inhibitors which would prove to be a milestone for the management of diabetes. PMID:20814956

  9. A molecular level mechanism for uranium (VI) toxicity through Ca(2+) displacement in pyrroloquinoline quinone-dependent bacterial dehydrogenase.

    PubMed

    Burbank, Katherine A; Walker, Robert A; Peyton, Brent M

    2015-08-01

    Dipicolinic acid (DPA), a small molecule analogue for the pyrroloquinoline quinone (PQQ) bacterial dehydrogenase cofactor, was used to model displacement of the complexing ion, Ca(2+), by a uranium (VI) dioxo-cation, UO2(2+). Complexation of UO2(2+) with DPA through the displacement of Ca(2+) was examined with UV/visible spectroscopy, ESI (electrospray ionization)-Mass spectrometry, and density functional theory based-modeling. The UO2(2+) displacement of other biologically important metal cations (Zn(2+), Cu(2+), Ni(2+), and Fe(3+)) from DPA was also examined. Results show that UO2(2+) has a distinctly higher binding affinity (logβ = 10.2 ± 0.1) for DPA compared to that of Ca(2+) (logβ = 4.6 ± 0.1), and provide molecular level insight into the mechanism of uranium toxicity associated with the {ONO} site. These results support those of VanEngelen et al. (2011) where a key interaction between PQQ and UO2(2+) produced significant uranium toxicity in bacteria. The observed toxicity mechanism was determined to be the displacement of a Ca(2+) cation bound to the {ONO} site on PQQ and was observed even at submicromolar UO2(2+) concentrations. Here we couple experimental findings with density functional theory (DFT) calculations to investigate the electronic and structural properties that make the {ONO} site so distinctively favorable for UO2(2+) binding. This novel approach using integrated experimental and fundamental atomic based models opens the path to identify a library of potential uranium interactions with critical biological molecules. PMID:25920685

  10. Effects of long-term space condition on cell ultrastructure and the molecular level change of the tomato

    NASA Astrophysics Data System (ADS)

    Jinying, L.; Min, L.; Huai, X.; Yi, P.; Chunhua, Z.; Nechitalo, G.

    Effects of long-term exposure to physical factors of space flight on dormant seeds were studied on plants derived from tomato seeds flown for 6 years on board of the space station MIR Upon return to the Earth the seeds were germinated and grown to maturity Samples of plants were compared to plants from parallel ground-based controls Various differences of ultrastructure of the tomato leaf cell were observed with an electron microscope One plant carried by space station has the anatomy of leaves with a three-layered palisade tissue and other plants similar with ground controls have the anatomy of leaves with a one-layered palisade tissue The number of starch grains per chloroplast of every space-treated tomato leaf increased significantly compared with that of the ground control The leaf cell walls of two plants carried by space station became contracted and deformed The size of chloroplast in some space-treated plants was larger and the lamellae s structure of some chloroplasts turned curvature and loose The results obtained point out to significant changes occurring on the molecular level among the space-flight treated seedlings and the ground control The leaves of plants were used for AFLP Amplification Fragment Length Polymorphism analysis For the first generation space-flight treated tomato plants among 64 pairs of primers used in this experiment 43 primers generated the same DNA bands type and 21 primers generated a different DNA band type 2582 DNA bands were produced among which 34 DNA bands were polymorphic with the percentage