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Sample records for mesocosm approach electronic

  1. Bacterial dynamics in a microphytobenthic biofilm: A tidal mesocosm approach

    Agogué, Hélène; Mallet, Clarisse; Orvain, Francis; De Crignis, Margot; Mornet, Françoise; Dupuy, Christine

    2014-09-01

    In intertidal mudflats, during low tide exposure, microphytobenthos (MPB) migrate vertically through the surface sediment and form, with the heterotrophic bacteria, a transient biofilm. Inside this biofilm, multiple interactions exist between MPB and bacteria. These micro-organisms secrete a wide range of extracellular polymeric substances (EPS), which are major components of the biofilm matrix. In this study, we used a tidal mesocosm experiment in order to decipher the interactions of the MPB-EPS-bacteria complex within the biofilm. We tried to determine if the EPS could control bacterial activities and/or production and/or richness according to the age of the biofilm and to the immersion/emersion period. The dynamics of biomasses of MPB and prokaryotes, the bacterial production, the hydrolysis of predominating organic constituents in the dissolved organic carbon (DOC) pool (i.e., carbohydrates and polypeptides), and the bacterial structure were studied in relation to the different EPS fractions (carbohydrates and proteins: colloidal and bound) dynamics during 8 days. Our experiment had emphasized the influence of the environmental conditions (light, immersion/emersion) on the interactions within the biofilm and also on the effects on biofilm aging. Bacterial production was always inhibited by the bound EPS-carbohydrate, especially during low tide. Our results suggest that the concentration and composition of EPS had a major role in the bacterial/MPB interactions: these interactions can be either positive or negative in order to regulate the productive phases of MPB and bacteria.

  2. The role of biogenic structures on the biogeochemical functioning of mangrove constructed wetlands sediments - A mesocosm approach

    Penha-Lopes, Gil; Kristensen, Erik; Flindt, Mogens; Mangion, Perrine; Bouillon, Steven; Paula, Jose

    2010-01-01

    Benthic metabolism (measured as CO 2 production) and carbon oxidation pathways were evaluated in 4 mangrove mesocosms subjected daily to seawater or 60% sewage in the absence or presence of mangrove trees and biogenic structures (pneumatophores and crab burrows). Total CO 2 emission from darkened sediments devoid of biogenic structures at pristine conditions was comparable during inundation (immersion) and air exposure (emersion), although increased 2-7 times in sewage contaminated mesocosms. Biogenic structures increased low tide carbon gas emissions at contaminated (30%) and particularly pristine conditions (60%). When sewage was loaded into the mesocosms under unvegetated and planted conditions, iron reduction was substituted by sulfate reduction and contribution of aerobic respiration to total metabolism remained above 50%. Our results clearly show impacts of sewage on the partitioning of electron acceptors in mangrove sediment and confirm the importance of biogenic structures for biogeochemical functioning but also on greenhouse gases emission.

  3. A mesocosm approach for detecting stream invertebrate community responses to treated wastewater effluent

    Grantham, Theodore E.; Cañedo-Argüelles, Miguel; Perrée, Isabelle; Rieradevall, Maria; Prat, Narcís

    2012-01-01

    The discharge of wastewater from sewage treatment plants is one of the most common forms of pollution to river ecosystems, yet the effects on aquatic invertebrate assemblages have not been investigated in a controlled experimental setting. Here, we use a mesocosm approach to evaluate community responses to exposure to different concentrations of treated wastewater effluents over a two week period. Multivariate analysis using Principal Response Curves indicated a clear, dose-effect response to the treatments, with significant changes in macroinvertebrate assemblages after one week when exposed to 30% effluent, and after two weeks in the 15% and 30% effluent treatments. Treatments were associated with an increase in nutrient concentrations (ammonium, sulfate, and phosphate) and reduction of dissolved oxygen. These findings indicate that exposure to wastewater effluent cause significant changes in abundance and composition of macroinvertebrate taxa and that effluent concentration as low as 5% can have detectable ecological effects. - Highlights: ► Stream invertebrate communities are altered by exposure to wastewater effluent. ► Principal Response Curves indicate a dose-effect response to effluent treatment. ► Biotic quality indices decline with increasing effluent concentration and exposure time. ► Effluent concentrations as low as 5% have detectable ecological effects. - Exposure to treated effluent in a stream mesocosm caused a dose-dependent response in the aquatic invertebrate community and led to declines in biological quality indices.

  4. Implications of elevated CO2 on pelagic carbon fluxes in an Arctic mesocosm study – an elemental mass balance approach

    J. Czerny

    2013-05-01

    Full Text Available Recent studies on the impacts of ocean acidification on pelagic communities have identified changes in carbon to nutrient dynamics with related shifts in elemental stoichiometry. In principle, mesocosm experiments provide the opportunity of determining temporal dynamics of all relevant carbon and nutrient pools and, thus, calculating elemental budgets. In practice, attempts to budget mesocosm enclosures are often hampered by uncertainties in some of the measured pools and fluxes, in particular due to uncertainties in constraining air–sea gas exchange, particle sinking, and wall growth. In an Arctic mesocosm study on ocean acidification applying KOSMOS (Kiel Off-Shore Mesocosms for future Ocean Simulation, all relevant element pools and fluxes of carbon, nitrogen and phosphorus were measured, using an improved experimental design intended to narrow down the mentioned uncertainties. Water-column concentrations of particulate and dissolved organic and inorganic matter were determined daily. New approaches for quantitative estimates of material sinking to the bottom of the mesocosms and gas exchange in 48 h temporal resolution as well as estimates of wall growth were developed to close the gaps in element budgets. However, losses elements from the budgets into a sum of insufficiently determined pools were detected, and are principally unavoidable in mesocosm investigation. The comparison of variability patterns of all single measured datasets revealed analytic precision to be the main issue in determination of budgets. Uncertainties in dissolved organic carbon (DOC, nitrogen (DON and particulate organic phosphorus (POP were much higher than the summed error in determination of the same elements in all other pools. With estimates provided for all other major elemental pools, mass balance calculations could be used to infer the temporal development of DOC, DON and POP pools. Future elevated pCO2 was found to enhance net autotrophic community carbon

  5. A Micro and Mesocosm Approach to Understanding the Response of Branched GDGTs to Environmental Perturbation

    Martínez-Sosa, P.; Tierney, J. E.; Castañeda, I. S.

    2017-12-01

    Branched glycerol dialkyl glycerol tetraethers (brGDGTs) are membrane lipids with 15 known structures. Thought to be synthesized by bacteria, they are found in peatlands, soils, near-shore marine sediments and lakes. Previous studies have reported a correlation between the number and position of methyl groups and cyclopentane moieties in these lipids with environmental factors such as pH and temperature, leading to the creation of the methylation and cyclisation indices (MBT and CBT respectively). Although an empirical relationship between these structural modifications and environmental conditions has been described, the source organism for these molecules remains unknown. Lacking pure cultures of brGDGT producing bacteria, a different approach is necessary to study their response to environmental perturbations under controlled conditions. To this end, we studied the production of brGDGTs in water from two fishing lakes in Arizona using a series of microcosms, comprised by 1L flasks filled with environmental water; and mesocosm experiments, where two 20L tanks were filled with either lake water or lake water and synthetic sediments. This experimental design allowed us to modify environmental factors while preserving the natural conditions of the sample. Our experiments point to a production of brGDGTs on the suspended particulate matter in the water column, which appears to contribute to some extent to the presence of this molecules on lake sediments. Furthermore, we observed a shift in the ratio between 5' and 6' isomers related to both the presence of a carbon source and temperature. Limited oxygen availability appears to correlate with higher brGDGT concentration. Notably, we find that methylation decreases with increasing temperature in our experiments at a rate that is roughly in agreement with empirical observations. To our knowledge, these experiments provide the first evidence of growth and alteration of brGDGTs under laboratory conditions, which could be

  6. Assessing sulfate and carbon controls on net methylmercury production in peatlands: An in situ mesocosm approach

    Mitchell, Carl P.J. [Department of Geography, University of Toronto at Mississauga, 3359 Mississauga Road North, Mississauga, Ontario L5L 1C6 (Canada)], E-mail: mitchellc@si.edu; Branfireun, Brian A. [Department of Geography, University of Toronto at Mississauga, 3359 Mississauga Road North, Mississauga, Ontario L5L 1C6 (Canada); Kolka, Randall K. [Northern Research Station, US Department of Agriculture Forest Service, 1831 Highway 169 East, Grand Rapids, MN 55744 (United States)

    2008-03-15

    The transformation of atmospherically deposited inorganic Hg to the toxic, organic form methylmercury (MeHg) is of serious ecological concern because MeHg accumulates in aquatic biota, including fish. Research has shown that the Hg methylation reaction is dependent on the availability of SO{sub 4} (as an electron acceptor) because SO{sub 4}-reducing bacteria (SRB) mediate the biotic methylation of Hg. Much less research has investigated the possible organic C limitations to Hg methylation (i.e. from the perspective of the electron donor). Although peatlands are long-term stores of organic C, the C derived from peatland vegetation is of questionable microbial lability. This research investigated how both SO{sub 4} and organic C control net MeHg production using a controlled factorial addition design in 44 in situ peatland mesocosms. Two levels of SO{sub 4} addition and energetic-equivalent additions (i.e. same number of electrons) of a number of organic C sources were used including glucose, acetate, lactate, coniferous litter leachate, and deciduous litter leachate. This study supports previous research demonstrating the stimulation of MeHg production from SO{sub 4} input alone ({approx}200 pg/L/day). None of the additions of organic C alone resulted in significant MeHg production. The combined addition of SO{sub 4} and some organic C sources resulted in considerably more MeHg production ({approx}500 pg/L/day) than did the addition of SO{sub 4} alone, demonstrating that the highest levels of MeHg production can be expected only where fluxes of both SO{sub 4} and organic C are delivered concurrently. When compared to a number of pore water samples taken from two nearby peatlands, MeHg concentrations resulting from the combined addition of SO{sub 4} and organic C in this study were similar to MeHg 'hot spots' found near the upland-peatland interface. The formation of MeHg 'hot spots' at the upland-peatland interface may be dependent on concurrent

  7. Assessing sulfate and carbon controls on net methylmercury production in peatlands: An in situ mesocosm approach

    Mitchell, Carl P.J.; Branfireun, Brian A.; Kolka, Randall K.

    2008-01-01

    The transformation of atmospherically deposited inorganic Hg to the toxic, organic form methylmercury (MeHg) is of serious ecological concern because MeHg accumulates in aquatic biota, including fish. Research has shown that the Hg methylation reaction is dependent on the availability of SO 4 (as an electron acceptor) because SO 4 -reducing bacteria (SRB) mediate the biotic methylation of Hg. Much less research has investigated the possible organic C limitations to Hg methylation (i.e. from the perspective of the electron donor). Although peatlands are long-term stores of organic C, the C derived from peatland vegetation is of questionable microbial lability. This research investigated how both SO 4 and organic C control net MeHg production using a controlled factorial addition design in 44 in situ peatland mesocosms. Two levels of SO 4 addition and energetic-equivalent additions (i.e. same number of electrons) of a number of organic C sources were used including glucose, acetate, lactate, coniferous litter leachate, and deciduous litter leachate. This study supports previous research demonstrating the stimulation of MeHg production from SO 4 input alone (∼200 pg/L/day). None of the additions of organic C alone resulted in significant MeHg production. The combined addition of SO 4 and some organic C sources resulted in considerably more MeHg production (∼500 pg/L/day) than did the addition of SO 4 alone, demonstrating that the highest levels of MeHg production can be expected only where fluxes of both SO 4 and organic C are delivered concurrently. When compared to a number of pore water samples taken from two nearby peatlands, MeHg concentrations resulting from the combined addition of SO 4 and organic C in this study were similar to MeHg 'hot spots' found near the upland-peatland interface. The formation of MeHg 'hot spots' at the upland-peatland interface may be dependent on concurrent inputs of SO 4 and organic C in runoff from the adjacent upland hillslopes

  8. Technical Note: Mesocosm approach to quantify dissolved inorganic carbon percolation fluxes

    Thaysen, Eike Marie; Jessen, S.; Ambus, Per

    2014-01-01

    unplanted soil. Carbon dioxide partial pressure (pCO(2)), alkalinity, soil moisture and temperature were measured with depth and time, and DIC in the percolate was quantified using a sodium hydroxide trap. Results showed good reproducibility between two replicate mesocosms. The pCO(2) varied between 0.......2 and 1.1 %, and the alkalinity was 0.1-0.6 meq L-1. The measured cumulative effluent DIC flux over the 78-day experimental period was 185-196 mg L-1 m(-2) and in the same range as estimates derived from pCO(2) and alkalinity in samples extracted from the side of the mesocosm column and the drainage flux...

  9. Response of stream invertebrates to short-term salinization: A mesocosm approach

    Cañedo-Argüelles, Miguel; Grantham, Theodore E.; Perrée, Isabelle; Rieradevall, Maria; Céspedes-Sánchez, Raquel; Prat, Narcís

    2012-01-01

    Salinization is a major and growing threat to freshwater ecosystems, yet its effects on aquatic invertebrates have been poorly described at a community-level. Here we use a controlled experimental setting to evaluate short-term stream community responses to salinization, under conditions designed to replicate the duration (72 h) and intensity (up to 5 mS cm −1 ) of salinity pulses common to Mediterranean rivers subjected to mining pollution during runoff events. There was a significant overall effect, but differences between individual treatments and the control were only significant for the highest salinity treatment. The community response to salinization was characterized by a decline in total invertebrate density, taxon richness and diversity, an increase in invertebrate drift and loss of the most sensitive taxa. The findings indicate that short-term salinity increases have a significant impact on the stream invertebrate community, but concentrations of 5 mS cm −1 are needed to produce a significant ecological response. - Highlights: ► Short-term salinization has a significant impact on the aquatic invertebrates. ► A significant short-term ecological response is registered at 5 mS cm −1 . ► Salinization causes a decline in invertebrate density, richness and diversity. ► Biotic quality indices decline with increasing salinity and exposure time. - Short-term salinization in a stream mesocosm caused a significant response in the aquatic invertebrate community and led to declines in biological quality indices.

  10. Atmospheric Deposition Effects on Plankton Communities in the Eastern Mediterranean: A Mesocosm Experimental Approach

    Tatiana M. Tsagaraki

    2017-07-01

    Full Text Available The effects of atmospheric deposition on plankton community structure were examined during a mesocosm experiment using water from the Cretan Sea (Eastern Mediterranean, an area with a high frequency of atmospheric aerosol deposition events. The experiment was carried out under spring-summer conditions (May 2012. The main objective was to study the changes induced from a single deposition event, on the autotrophic and heterotrophic surface microbial populations, from viruses to zooplankton. To this end, the effects of Saharan dust addition were compared to the effects of mixed aerosol deposition on the plankton community over 9 days. The effects of the dust addition seemed to propagate throughout the food-web, with changes observed in nearly all of the measured parameters up to copepods. The dust input stimulated increased productivity, both bacterial and primary. Picoplankton, both autotrophic and heterotrophic capitalized on the changes in nutrient availability and microzooplankton abundance also increased due to increased availability of prey. Five days after the simulated deposition, copepods also responded, with an increase in egg production. The results suggest that nutrients were transported up the food web through autotrophs, which were favored by the Nitrogen supplied through both treatments. Although, the effects of individual events are generally short lived, increased deposition frequency and magnitude of events is expected in the area, due to predicted reduction in rainfall and increase in temperature, which can lead to more persistent changes in plankton community structure. Here we demonstrate how a single dust deposition event leads to enhancement of phytoplankton and microzooplankton and can eventually, through copepods, transport more nutrients up the food web in the Eastern Mediterranean Sea.

  11. Evaluating the impact of atmospheric depositions on springtime dinitrogen fixation in the Cretan Sea (Eastern Mediterranean - A mesocosm approach

    Eyal Rahav

    2016-09-01

    Full Text Available Large amounts of dust and atmospheric aerosols, originating from surrounding desert areas (e.g., Sahara and Middle East are deposited annually on the surface of the Eastern Mediterranean Sea. These depositions can provide high amounts of micro (such as Fe, Zn, Co and macro nutrients (such as P and N to supplement nutrient-poor surface waters- that typically limit primary productivity and also dinitrogen (N2 fixation in many marine environments. Here, we studied the impact of the atmospheric deposition of dust and aerosols on N2 fixation in the Cretan Sea (Eastern Mediterranean Sea. Mixed polluted aerosols (hereafter A and Saharan dust (hereafter SD were added to nine mesocosms (3-m3 each containing surface mixed layer seawater (~10 m, and N2 fixation was evaluated for 6 days during May 2012 (springtime. The addition of SD triggered a rapid (30 h and robust (2-4 fold increase in N2 fixation rates that remained high for 6 days and contributed 3-8% of the primary productivity. The A addition also resulted in higher N2 fixation rates compared to the unamended control mesocosms, although the responses were less profound (1.5-2 fold and accounted for only 2-4% of the primary productivity. The microbial community responded differently to the two additions. Heterotrophic bacterial N2 fixers dominated the diazotroph community in A and the control mesocosms, while the non-filamentous cyanobacterial group Trichodesmium prevailed in the SD treatment (68% of all the operational taxonomic units, verified by qPCR analyses. Our results indicate that the aerosol source, its route prior to deposition, and its specific chemical composition, can alter the diazotrophic diversity and activity in the Eastern Mediterranean Sea and may thus impact both the N and C dynamics in this impoverished environment.

  12. Cross validation of two partitioning-based sampling approaches in mesocosms containing PCB contaminated field sediment, biota, and activated carbon amendment

    Nørgaard Schmidt, Stine; Wang, Alice P.; Gidley, Philip T

    2017-01-01

    with multiple thicknesses of silicone and in situ pre-equilibrium sampling with low density polyethylene (LDPE) loaded with performance reference compounds were applied independently to measure polychlorinated biphenyls (PCBs) in mesocosms with (1) New Bedford Harbor sediment (MA, USA), (2) sediment and biota......, and (3) activated carbon amended sediment and biota. The aim was to cross validate the two different sampling approaches. Around 100 PCB congeners were quantified in the two sampling polymers, and the results confirmed the good precision of both methods and were in overall good agreement with recently...... published silicone to LDPE partition ratios. Further, the methods yielded Cfree in good agreement for all three experiments. The average ratio between Cfree determined by the two methods was factor 1.4±0.3 (range: 0.6-2.0), and the results thus cross-validated the two sampling approaches. For future...

  13. Electronics a systems approach

    Storey, Neil

    2017-01-01

    Electronics plays a central role in our everyday lives. It is at the heart of almost all of today's essential technology, from mobile phones to computers and from cars to power stations. As such, all engineers, scientists and technologists need to have a fundamental understanding of this exciting subject, and for many this will just be the beginning. Now in its sixth edition, Electronics: A Systems Approach provides an outstanding introduction to this fast-moving and important field. Comprehensively revised and updated to cover the latest developments in the world of electronics, the text continues to use Neil Storey's established and well-respected systems approach. It introduces the basic concepts first before progressing to a more advanced analysis, enabling you to contextualise what a system is designed to achieve before tackling the intricacies of designing or analysing its various components with confidence. This book is accompanied by a website which contains over 100 video tutorials to help explain ke...

  14. The Efficacy of Bioaugmentation on Remediating Oil Contaminated Sandy Beach Using Mesocosm Approach (Efikasi Tehnik Bioaugmentasi dalam Memulihkan Pantai Berpasir Tercemar Minyak Menggunakan Pendekatan Mesokosm

    Yeti Darmayati

    2015-09-01

    Full Text Available Bioremediation is basically consists of two approaches, biostimulation and bioaugmentation. The efficacy of bioaugmentation for combating oil pollution in field application is still argued. The purpose of study was to evaluate the efficacy of bioaugmentation and to compare the affectivity of single strain and consortium application in remediating oil polluted sandy beach. Experimental study in a field has been conducted with two (2 treatments and one (1 control in three different plots. The treatmens were introduction of a single strain (Alcanivorax sp TE-9 and a consortium (Alcanivorax sp. TE-9, Pseudomonas balearica st 101 and RCO/B/08-015 cultures into oil contaminated sediment. The experiment in mesocosm approach was taken place in Cilacap coast. Arabian light crude oil was used in the concentration of 100.000 mg.kg-1 sediment. Changes of oil concentration, bacterial density and pore water quality have been monitored periodically for 3 months. The result showed that oil degradation percentage and bacterial growth in both treatments were higher than in control. After 3 months, the percentage of oil degradation experiment in control, single strain and formulated consortium treatments were observed at 60.4%, 74.5% and 73.5%. It proves that bioaugmentation tehnique can enhance significantly oil biodegradation in sandy beach. The applications of bacteria in single or consortium culture give no different impact on their affectivity for bioremediation in Cilacap sandy beach. By data extrapolation it can be predicted that both of treatments able to reduce remediation time from 210 days into 135–137 days. Bioaugmentation can be proposed as a good solution for finalizing oil removing in Cilacap sandy beach when oil spilled occurred in this environment. Keywords: Bioremediation, bioaugmentation, oil, sandy beach, Alcanivorax, mesocosm, Cilacap   Bioremediasi pada dasarnya terdiri dari dua pendekatan yaitu biostimulasi dan bioaugmentasi. Teknik

  15. Enhancing the Process of Anaerobic Ammonium Oxidation Coupled to Iron Reduction in Constructed Wetland Mesocosms with Supplementation of Ferric Iron Hydroxides

    Shuai, W.; Jaffe, P. R.

    2017-12-01

    Effective ammonium (NH4+) removal has been a challenge in wastewater treatment processes. Aeration, which is required for the conventional NH4+ removal approach by ammonium oxidizing bacteria, is an energy intensive process during the operation of wastewater treatment plant. The efficiency of NH4+ oxidation in natural systems is also limited by oxygen transfer in water and sediments. The objective of this study is to enhance NH4+ removal by applying a novel microbial process, anaerobic NH4+ oxidation coupled to iron (Fe) reduction (also known as Feammox), in constructed wetlands (CW). Our studies have shown that an Acidimicrobiaceae bacterium named A6 can carry out the Feammox process using ferric Fe (Fe(III)) minerals like ferrihydrite as their electron acceptor. To investigate the properties of the Feammox process in CW as well as the influence of electrodes, Feammox bacterium A6 was inoculated in planted CW mesocosms with electrodes installed at multiple depths. CW mesocosms were operated using high NH4+ nutrient solution as inflow under high or low sediment Fe(III) level. During the operation, NH4+ and ferrous Fe concentration, pore water pH, voltages between electrodes, oxidation reduction potential and dissolved oxygen were measured. At the end of the experiment, CW sediment samples at different depths were taken, DNAs were extracted and quantitative polymerase chain reaction and pyrosequencing were performed to analyze the microbial communities. The results show that the high Fe level CW mesocosm has much higher NH4+ removal ability than the low Fe level CW mesocosm after Fe-reducing conditions are developed. This indicates the enhanced NH4+ removal can be attributed to elevated Feammox activity in high Fe level CW mesocosm. The microbial community structures are different in high or low Fe level CW mesocosms and on or away from the installed electrodes. The voltages between cathode and anode increased after the injection of A6 enrichment culture in low Fe

  16. The usefulness of mesocosms for ecotoxicity testing with lacertid lizards

    Maria José Amaral

    2012-12-01

    Full Text Available Mesocosms (i.e., outdoor, man-made representations of natural ecosystems have seldom been used to study the impact of contaminants on terrestrial ecosystems. However, mesocosms can be a useful tool to provide a link between field and laboratory studies. We exposed juvenile lacertid lizards for a period of over one year to pesticides (herbicides and insecticides in mesocosm enclosures with the intention of validating field observations obtained in a previous study that examined the effects of corn pesticides in Podarcis bocagei. Our treatments replicated field conditions and consisted of a control, an herbicides only treatment (alachlor, terbuthylazine, mesotrione and glyphosate and an herbicides and insecticide treatment (including chlorpyrifos. We used a multi-biomarker approach that examined parameters at an individual and sub-individual level, including growth, locomotor performance, standard metabolic rate, biomarkers of oxidative stress, esterases and liver histopathologies. Although mortality over the course of the exposures was high (over 60%, surviving individuals prospered relatively well in the mesocosms and displayed a broad range of natural behaviours. The low numbers of replicate animals compromised many of the statistical comparisons, but in general, surviving lizards exposed to pesticides in mesocosm enclosures for over one year, thrived, and displayed few effects of pesticide exposure. Despite the difficulties, this work acts as an important stepping-stone for future ecotoxicology studies using lizards.

  17. Mercury in the mix: An in situ mesocosm approach to assess relative contributions of mercury sources to methylmercury production and bioaccumulation in the Sacramento-San Joaquin Delta

    Fleck, J.; Krabbenhoft, D. P.; Kraus, T. E. C.; Ackerman, J.; Stumpner, E. B.; DeWild, J.; Marvin-DiPasquale, M. C.; Tate, M.; Ogorek, J.

    2014-12-01

    Mercury (Hg) contamination is considered one of the greatest threats to the Sacramento-San Joaquin Delta and the San Francisco Estuary ecosystems. This threat is driven by the transformation of Hg, deposited in the Delta from erosion of upstream historic mining debris and atmospheric deposition, by native bacteria into the more toxic and biologically available form, methylmercury (MeHg), in the wetlands and sediment of the Delta. To effectively manage this threat, a quantitative understanding of the relative contribution of the different Hg sources to MeHg formation is needed. Mass balance estimates indicate as much as 99% of the Hg entering the Delta arrives via tributary inputs. Of the tributary Hg load, approximately 90% is adsorbed to suspended particles from tributary discharge and 10% is in the dissolved fraction, potentially of atmospheric origin. In comparison, the remaining 1-2% of the Hg entering the Delta arrives through direct atmospheric deposition (wet and dry). The relative importance of these sources to MeHg production within the Delta is not linearly related to the mass inputs because atmospherically-derived Hg is believed to be more reactive than sediment-bound Hg with respect to MeHg formation. We conducted an in situ mesocosm dosing experiment where different Hg sources to the Delta (direct atmospheric, dissolved riverine and suspended sediment) were "labeled" with different stable Hg isotopes and added to mesocosms within four different wetlands. Mercury isotopes added with the streambed sediments were equilibrated in sealed containers for six months; while the Hg isotopes associated with the precipitation and river water were equilibrated for 24 hours prior to use. After adding the isotopes, we sampled the water column, overlying air, bottom sediments and fish (Gambusia) at time intervals up to 30 days. Preliminary results from this experiment suggest that aqueous Hg sources (Hg introduced with precipitation and filtered river water) are 10

  18. Effects of food web structure and resource subsidies on the patterns and mechanisms of temporal coherence in a tropical coastal lagoon: an experimental mesocosm approach

    Luciana Silva Carneiro

    Full Text Available AIM: The study of the patterns and mechanisms of temporal coherence of ecological variables among lakes has become an important area of limnology. However, no study to date has experimentally tested whether and how resource subsidies and food web configuration affect the patterns and mechanisms of temporal coherence of limnological variables. We conducted a field mesocosm experiment to test the following hypotheses: (i nutrient enrichment would reduce the temporal coherence of system variables; (ii fish predation would enhance the temporal coherence of system variables; and (iii the strength of temporal coherence decreases from physical (water transparency, to chemical (dissolved oxygen concentration [DO] to biological variables (total zooplankton biomass. METHODS: For 11 weeks, we manipulated fish presence and nutrient (N and P concentration in a 2 × 2 factorial design in sixteen within-lake enclosures installed in a tropical coastal lagoon. Coherence was estimated by pair-to-pair Pearson's moment correlations of the temporal trajectories of each response variable among enclosures of the same treatment. RESULTS: Fish presence only enhanced the temporal coherence of zooplankton biomass, whereas contrary to our expectations, nutrient addition enhanced the temporal coherence of [DO]. The strength of the individual effects of fish and nutrients on temporal coherence was affected by variable identity, but this variation did not occur in a consistent pattern across variables. However, the interactive effects of fish and nutrients on the temporal coherence of the three variables monitored were not statistically significant. CONCLUSIONS: Our results indicate that local factors, such as fish presence and nutrient availability, may affect the temporal coherence of several system variables, but these effects are better predicted by the strength of direct interactions between the local factor and the variable than by the identity of the variable itself

  19. A Worldwide Web-portal for Aquatic Mesocosm Facilities: WWW.MESOCOSM.EU

    Berger, S. A.; Nejstgaard, J. C.

    2016-02-01

    Experimental mesocosms are valuable tools to fill the gap between highly controlled/replicated lab experiments and uncontrolled/non-replicated natural environments such as rivers, lakes and oceans. WWW.MESOCOSM.EU is an open web-portal for leading aquatic mesocosm facilities around the world. It was created within the FP7 EU-project MESOAQUA (A network of leading MESOcosm facilities to advance the studies of future AQUAtic ecosystems from the Arctic to the Mediterranean). The goal of the portal is to increase international knowledge about existing mesocosm facilities, including information on locations, environment, equipment, contacts, research opportunities and mesocosm-based publications. MESOCOSM.EU specifically aims to be a tool to enhance the quality of research by facilitating international cooperative network building, announcement of new research initiatives, transfer of best practice, and dissemination of knowledge, public information and press releases. As an open platform for all aquatic ecosystem scale science (marine and freshwater), MESOCOSM.EU aims to fill the lack of a centralized, coordinating virtual infrastructure for international aquatic mesocosm research, from the mountains to the ocean and from polar to tropical regions.

  20. Stream periphyton responses to mesocosm treatments of ...

    A stream mesocosm experiment was designed to compare biotic responses among streams exposed to an equal excess specific conductivity target of 850 µS/cm relative to a control that was set for 200 µS/cm and three treatments comprised of different major ion contents. Each treatment and the control was replicated 4 times at the mesocosm scale (16 mesocosms total). The treatments were based on dosing the background mesocosm water, a continuous flow-through mixture of natural river water and reverse osmosis treated water, with stock salt solutions prepared from 1) a mixture of sodium chloride and calcium chloride (Na/Cl chloride), 2) sodium bicarbonate, and 3) magnesium sulfate. The realized average specific conductance over the first 28d of continuous dosing was 827, 829, and 847 µS/cm, for the chloride, bicarbonate, and sulfate based treatments, respectively, and did not differ significantly. The controls averaged 183 µS/cm. Here we focus on comparing stream periphyton communities across treatments based on measurements obtained from a Pulse-Amplitude Modulated (PAM) fluorometer. The fluorometer is used in situ and with built in algorithms distributes the total aerial algal biomass (µg/cm2) of the periphyton among cyanobacteria, diatoms, and green algae. A measurement is recorded in a matter of seconds and, therefore, many different locations can be measured with in each mesocosm at a high return frequency. Eight locations within each of the 1 m2 (0.3 m W x 3

  1. Hydrodynamic approach to electronic transport in graphene

    Narozhny, Boris N. [Institute for Theoretical Condensed Matter Physics, Karlsruhe Institute of Technology, Karlsruhe (Germany); National Research Nuclear University MEPhI (Moscow Engineering Physics Institute), Moscow (Russian Federation); Gornyi, Igor V. [Institute for Theoretical Condensed Matter Physics, Karlsruhe Institute of Technology, Karlsruhe (Germany); Institute of Nanotechnology, Karlsruhe Institute of Technology, Karlsruhe (Germany); Ioffe Physical Technical Institute, St. Petersburg (Russian Federation); Mirlin, Alexander D. [Institute for Theoretical Condensed Matter Physics, Karlsruhe Institute of Technology, Karlsruhe (Germany); Institute of Nanotechnology, Karlsruhe Institute of Technology, Karlsruhe (Germany); Petersburg Nuclear Physics Institute, St. Petersburg (Russian Federation); Schmalian, Joerg [Institute for Theoretical Condensed Matter Physics, Karlsruhe Institute of Technology, Karlsruhe (Germany); Institute for Solid State Physics, Karlsruhe Institute of Technology, Karlsruhe (Germany)

    2017-11-15

    The last few years have seen an explosion of interest in hydrodynamic effects in interacting electron systems in ultra-pure materials. In this paper we briefly review the recent advances, both theoretical and experimental, in the hydrodynamic approach to electronic transport in graphene, focusing on viscous phenomena, Coulomb drag, non-local transport measurements, and possibilities for observing nonlinear effects. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  2. Nucleation from seawater emissions during mesocosm experiments

    Rose, Clémence; Culot, Anais; Pey, Jorge; Schwier, Allison; Mas, Sébastien; Charriere, Bruno; Sempéré, Richard; Marchand, Nicolas; D'Anna, Barbara; Sellegri, Karine

    2015-04-01

    Nucleation and new particle formation in the marine atmosphere is usually associated to the presence of macroalgea emerged at low tides in coastal areas, while these processes were very rarely detected away from coastlines. In the present study, we evidence the formation of new particles from the 1 nm size above the seawater surface in the absence of any macroalgea population. Within the SAM project (Sources of marine Aerosol in the Mediterranean),seawater mesocosms experiments were deployed in May 2013 at the STARESO in western Corsica, with the goal of investigating the relationship between marine aerosol emissions and the seawater biogeochemical properties. Three mesocosms imprisoned 3,3 m3 of seawater each and their emerged part was flushed with aerosol-filtered natural air. One of these mesocosms was left unchanged as control and the two others were enriched by addition of nitrates and phosphates respecting Redfield ratio (N:P = 16) in order to create different levels of phytoplanctonic activities. We followed both water and air characteristics of three mesocosms during a period of three weeks by using online water and atmospheric probes as well as seawater daily samples for chemical and biological analysis. Secondary new particle formation was followed on-line in the emerged parts of the mesocosms, using a SMPS for the size distribution above 6 nm and a Particle Size Magnifyer (PSM) for the number of cluster particles between 1 and 6 nm. We will present how the cluster formation rates and early growth rates relate to the gaz-phase emissions from the seawater and to its biogeochemical properties. Aknowledgemnts: The authors want to acknowledge the financial support of the ANR "Source of marine Aerosol in the Mediterranean" (SAM), and the support of MISTRAL CHARMEX and MERMEX programs.

  3. Soil mesocosm studies on atrazine bioremediation.

    Sagarkar, Sneha; Nousiainen, Aura; Shaligram, Shraddha; Björklöf, Katarina; Lindström, Kristina; Jørgensen, Kirsten S; Kapley, Atya

    2014-06-15

    Accumulation of pesticides in the environment causes serious issues of contamination and toxicity. Bioremediation is an ecologically sound method to manage soil pollution, but the bottleneck here, is the successful scale-up of lab-scale experiments to field applications. This study demonstrates pilot-scale bioremediation in tropical soil using atrazine as model pollutant. Mimicking field conditions, three different bioremediation strategies for atrazine degradation were explored. 100 kg soil mesocosms were set-up, with or without atrazine application history. Natural attenuation and enhanced bioremediation were tested, where augmentation with an atrazine degrading consortium demonstrated best pollutant removal. 90% atrazine degradation was observed in six days in soil previously exposed to atrazine, while soil without history of atrazine use, needed 15 days to remove the same amount of amended atrazine. The bacterial consortium comprised of 3 novel bacterial strains with different genetic atrazine degrading potential. The progress of bioremediation was monitored by measuring the levels of atrazine and its intermediate, cyanuric acid. Genes from the atrazine degradation pathway, namely, atzA, atzB, atzD, trzN and trzD were quantified in all mesocosms for 60 days. The highest abundance of all target genes was observed on the 6th day of treatment. trzD was observed in the bioaugmented mesocosms only. The bacterial community profile in all mesocosms was monitored by LH-PCR over a period of two months. Results indicate that the communities changed rapidly after inoculation, but there was no drastic change in microbial community profile after 1 month. Results indicated that efficient bioremediation of atrazine using a microbial consortium could be successfully up-scaled to pilot scale. Copyright © 2014 Elsevier Ltd. All rights reserved.

  4. Application of in-situ bioassays with macrophytes in aquatic mesocosm studies.

    Coors, Anja; Kuckelkorn, Jochen; Hammers-Wirtz, Monika; Strauss, Tido

    2006-10-01

    Aquatic mesocosm studies assess ecotoxicological effects of chemicals by using small artificial ponds as models of lentic ecosystems. In this study, methods of controlled insertion of macrophytes within an outdoor mesocosm study were explored. Although analytically confirmed concentrations of the model herbicide terbuthylazine were high enough to expect direct effects on phytoplankton, functional parameters and dominant taxa abundance indicated only minor and transient effects. In-situ assays with Lemna minor, Myriophyllum spicatum, Potamogeton lucens and Chara globularis revealed adverse effects at concentrations in accordance with literature data. Complex interactions such as nutrient limitation and competition were possible reasons for the observed growth promotion at the lower concentration of about 5 microg/l terbuthylazine. The approach of macrophyte in-situ bioassays within a mesocosm study proved to be applicable. Presumed advantages are simultaneous acquisition of toxicity data for several species of aquatic plants under more realistic conditions compared to laboratory tests and inclusion of macrophytes as important structural and functional components in mesocosms while limiting their domination of the model ecosystem.

  5. Electronic resource management systems a workflow approach

    Anderson, Elsa K

    2014-01-01

    To get to the bottom of a successful approach to Electronic Resource Management (ERM), Anderson interviewed staff at 11 institutions about their ERM implementations. Among her conclusions, presented in this issue of Library Technology Reports, is that grasping the intricacies of your workflow-analyzing each step to reveal the gaps and problems-at the beginning is crucial to selecting and implementing an ERM. Whether the system will be used to fill a gap, aggregate critical data, or replace a tedious manual process, the best solution for your library depends on factors such as your current soft

  6. Nutrient loading and metabolism in hard-bottom littoral mesocosms

    Kersting, K.; Lindblad, C.

    2001-01-01

    In eight hard-bottom tidal littoral mesocosms oxygen concentrations and temperature were measured every 30 s and registered as 15 min-averages. The mesocosms were fed with water from the Oslofjord (residence time about 2 h) and the measurements were also performed in the inflow. In addition,

  7. Interacting electrons theory and computational approaches

    Martin, Richard M; Ceperley, David M

    2016-01-01

    Recent progress in the theory and computation of electronic structure is bringing an unprecedented level of capability for research. Many-body methods are becoming essential tools vital for quantitative calculations and understanding materials phenomena in physics, chemistry, materials science and other fields. This book provides a unified exposition of the most-used tools: many-body perturbation theory, dynamical mean field theory and quantum Monte Carlo simulations. Each topic is introduced with a less technical overview for a broad readership, followed by in-depth descriptions and mathematical formulation. Practical guidelines, illustrations and exercises are chosen to enable readers to appreciate the complementary approaches, their relationships, and the advantages and disadvantages of each method. This book is designed for graduate students and researchers who want to use and understand these advanced computational tools, get a broad overview, and acquire a basis for participating in new developments.

  8. Assessment of nutrient removal in vegetated and unvegetated gravel bed mesocosm treatment wetlands

    Dougherty, J.M.; Werker, A.G.

    2002-01-01

    Constructed wetlands are being considered more frequently as an option for wastewater treatment around the world. However, widespread application of this technology requires further understanding of the system performance. Such knowledge is necessary to develop improved models, better characterize the essential treatment processes and improve the reliability in performance. The goal of achieving predictable levels of wastewater amelioration with minimal performance variability is an essential part of securing regulatory approval for treatment wetland systems. Laboratory mesocosms or unit-wetlands are being utilized and novel in-situ calibration methods are being applied to reference and compare kinetics of wastewater contaminant transformations. Tracer studies are being applied to reference plant and biofilm development within and between mesocosms with respect to carbon and nitrogen. Through detailed characterization of these unit wetlands, aspects of nutrient removal are being systematically examined. This paper will highlight the unit-wetland approach and experimental results juxtaposed the relevant literature surrounding wetland treatment of wastewater. (author)

  9. Effective approaches for managing electronic records and archives

    Dearstyne, Bruce W

    2006-01-01

    This is a book of fresh insights, perspectives, strategies, and approaches for managing electronic records and archives. The authors draw on first-hand experience to present practical solutions, including recommendations for building and sustaining strong electronic records programs.

  10. Instructional Approach to Molecular Electronic Structure Theory

    Dykstra, Clifford E.; Schaefer, Henry F.

    1977-01-01

    Describes a graduate quantum mechanics projects in which students write a computer program that performs ab initio calculations on the electronic structure of a simple molecule. Theoretical potential energy curves are produced. (MLH)

  11. A linear algebraic approach to electron-molecule collisions

    Collins, L.A.; Schnieder, B.I.

    1982-01-01

    The linear algebraic approach to electron-molecule collisions is examined by firstly deriving the general set of coupled integrodifferential equations that describe electron collisional processes and then describing the linear algebraic approach for obtaining a solution to the coupled equations. Application of the linear algebraic method to static-exchange, separable exchange and effective optical potential, is examined. (U.K.)

  12. Electronics lab instructors' approaches to troubleshooting instruction

    Dounas-Frazer, Dimitri R.; Lewandowski, H. J.

    2017-06-01

    In this exploratory qualitative study, we describe instructors' self-reported practices for teaching and assessing students' ability to troubleshoot in electronics lab courses. We collected audio data from interviews with 20 electronics instructors from 18 institutions that varied by size, selectivity, and other factors. In addition to describing participants' instructional practices, we characterize their perceptions about the role of troubleshooting in electronics, the importance of the ability to troubleshoot more generally, and what it means for students to be competent troubleshooters. One major finding of this work is that, while almost all instructors in our study said that troubleshooting is an important learning outcome for students in electronics lab courses, only half of instructors said they directly assessed students' ability to troubleshoot. Based on our findings, we argue that there is a need for research-based instructional materials that attend to both cognitive and noncognitive aspects of troubleshooting proficiency. We also identify several areas for future investigation related to troubleshooting instruction in electronics lab courses.

  13. Ocean acidification and calcifying reef organisms: a mesocosm investigation

    Jokiel, P. L.; Rodgers, K. S.; Kuffner, I. B.; Andersson, A. J.; Cox, E. F.; MacKenzie, F. T.

    2008-09-01

    A long-term (10 months) controlled experiment was conducted to test the impact of increased partial pressure of carbon dioxide ( pCO2) on common calcifying coral reef organisms. The experiment was conducted in replicate continuous flow coral reef mesocosms flushed with unfiltered sea water from Kaneohe Bay, Oahu, Hawaii. Mesocosms were located in full sunlight and experienced diurnal and seasonal fluctuations in temperature and sea water chemistry characteristic of the adjacent reef flat. Treatment mesocosms were manipulated to simulate an increase in pCO2 to levels expected in this century [midday pCO2 levels exceeding control mesocosms by 365 ± 130 μatm (mean ± sd)]. Acidification had a profound impact on the development and growth of crustose coralline algae (CCA) populations. During the experiment, CCA developed 25% cover in the control mesocosms and only 4% in the acidified mesocosms, representing an 86% relative reduction. Free-living associations of CCA known as rhodoliths living in the control mesocosms grew at a rate of 0.6 g buoyant weight year-1 while those in the acidified experimental treatment decreased in weight at a rate of 0.9 g buoyant weight year-1, representing a 250% difference. CCA play an important role in the growth and stabilization of carbonate reefs, so future changes of this magnitude could greatly impact coral reefs throughout the world. Coral calcification decreased between 15% and 20% under acidified conditions. Linear extension decreased by 14% under acidified conditions in one experiment. Larvae of the coral Pocillopora damicornis were able to recruit under the acidified conditions. In addition, there was no significant difference in production of gametes by the coral Montipora capitata after 6 months of exposure to the treatments.

  14. Ocean acidification and calcifying reef organisms: A mesocosm investigation

    Jokiel, P.L.; Rodgers, K.S.; Kuffner, I.B.; Andersson, A.J.; Cox, E.F.; MacKenzie, F.T.

    2008-01-01

    A long-term (10 months) controlled experiment was conducted to test the impact of increased partial pressure of carbon dioxide (pCO2) on common calcifying coral reef organisms. The experiment was conducted in replicate continuous flow coral reef mesocosms flushed with unfiltered sea water from Kaneohe Bay, Oahu, Hawaii. Mesocosms were located in full sunlight and experienced diurnal and seasonal fluctuations in temperature and sea water chemistry characteristic of the adjacent reef flat. Treatment mesocosms were manipulated to simulate an increase in pCO2 to levels expected in this century [midday pCO2 levels exceeding control mesocosms by 365 ?? 130 ??atm (mean ?? sd)]. Acidification had a profound impact on the development and growth of crustose coralline algae (CCA) populations. During the experiment, CCA developed 25% cover in the control mesocosms and only 4% in the acidified mesocosms, representing an 86% relative reduction. Free-living associations of CCA known as rhodoliths living in the control mesocosms grew at a rate of 0.6 g buoyant weight year-1 while those in the acidified experimental treatment decreased in weight at a rate of 0.9 g buoyant weight year-1, representing a 250% difference. CCA play an important role in the growth and stabilization of carbonate reefs, so future changes of this magnitude could greatly impact coral reefs throughout the world. Coral calcification decreased between 15% and 20% under acidified conditions. Linear extension decreased by 14% under acidified conditions in one experiment. Larvae of the coral Pocillopora damicornis were able to recruit under the acidified conditions. In addition, there was no significant difference in production of gametes by the coral Montipora capitata after 6 months of exposure to the treatments. ?? 2008 Springer-Verlag.

  15. A data-model synthesis to explain variability in calcification observed during a CO2 perturbation mesocosm experiment

    Krishna, Shubham; Schartau, Markus

    2017-04-01

    The effect of ocean acidification on growth and calcification of the marine algae Emiliania huxleyi was investigated in a series of mesocosm experiments where enclosed water volumes that comprised a natural plankton community were exposed to different carbon dioxide (CO2) concentrations. Calcification rates observed during those experiments were found to be highly variable, even among replicate mesocosms that were subject to similar CO2 perturbations. Here, data from an ocean acidification mesocosm experiment are reanalysed with an optimality-based dynamical plankton model. According to our model approach, cellular calcite formation is sensitive to variations in CO2 at the organism level. We investigate the temporal changes and variability in observations, with a focus on resolving observed differences in total alkalinity and particulate inorganic carbon (PIC). We explore how much of the variability in the data can be explained by variations of the initial conditions and by the level of CO2 perturbation. Nine mesocosms of one experiment were sorted into three groups of high, medium, and low calcification rates and analysed separately. The spread of the three optimised ensemble model solutions captures most of the observed variability. Our results show that small variations in initial abundance of coccolithophores and the prevailing physiological acclimation states generate differences in calcification that are larger than those induced by ocean acidification. Accordingly, large deviations between optimal mass flux estimates of carbon and of nitrogen are identified even between mesocosms that were subject to similar ocean acidification conditions. With our model-based data analysis we document how an ocean acidification response signal in calcification can be disentangled from the observed variability in PIC.

  16. NASA and COTS Electronics: Past Approach and Successes - Future Considerations

    LaBel, Kenneth A.

    2018-01-01

    NASA has a long history of using commercial grade electronics in space. In this talk, a brief history of NASAâ's trends and approaches to commercial grade electronics focusing on processing and memory systems will be presented. This will include providing summary information on the space hazards to electronics as well as NASA mission trade space. We will also discuss developing recommendations for risk management approaches to Electrical, Electronic and Electromechanical (EEE) parts and reliability in space. The final portion of the talk will discuss emerging aerospace trends and the future for Commercial Off The Shelf (COTS) usage.

  17. Quantifying differences in responses of aquatic insects to trace metal exposure in field studies and short-term stream mesocosm experiments

    Iwasaki, Yuichi; Schmidt, Travis S.; Clements, William H.

    2018-01-01

    Characterizing macroinvertebrate taxa as either sensitive or tolerant is of critical importance for investigating impacts of anthropogenic stressors in aquatic ecosystems and for inferring causality. However, our understanding of relative sensitivity of aquatic insects to metals in the field and under controlled conditions in the laboratory or mesocosm experiments is limited. In this study, we compared the response of 16 lotic macroinvertebrate families to metals in short-term (10-day) stream mesocosm experiments and in a spatially extensive field study of 154 Colorado streams. Comparisons of field and mesocosm-derived EC20 (effect concentration of 20%) values showed that aquatic insects were generally more sensitive to metals in the field. Although the ranked sensitivity to metals was similar for many families, we observed large differences between field and mesocosm responses for some groups (e.g., Baetidae and Heptageniidae). These differences most likely resulted from the inability of short-term experiments to account for factors such as dietary exposure to metals, rapid recolonization in the field, and effects of metals on sensitive life stages. Understanding mechanisms responsible for differences among field, mesocosm, and laboratory approaches would improve our ability to predict contaminant effects and establish ecologically meaningful water-quality criteria.

  18. Electronic waste management approaches: an overview.

    Kiddee, Peeranart; Naidu, Ravi; Wong, Ming H

    2013-05-01

    Electronic waste (e-waste) is one of the fastest-growing pollution problems worldwide given the presence if a variety of toxic substances which can contaminate the environment and threaten human health, if disposal protocols are not meticulously managed. This paper presents an overview of toxic substances present in e-waste, their potential environmental and human health impacts together with management strategies currently being used in certain countries. Several tools including life cycle assessment (LCA), material flow analysis (MFA), multi criteria analysis (MCA) and extended producer responsibility (EPR) have been developed to manage e-wastes especially in developed countries. The key to success in terms of e-waste management is to develop eco-design devices, properly collect e-waste, recover and recycle material by safe methods, dispose of e-waste by suitable techniques, forbid the transfer of used electronic devices to developing countries, and raise awareness of the impact of e-waste. No single tool is adequate but together they can complement each other to solve this issue. A national scheme such as EPR is a good policy in solving the growing e-waste problems. Crown Copyright © 2013. Published by Elsevier Ltd. All rights reserved.

  19. Global approaches to regulating electronic cigarettes

    Kennedy, Ryan David; Awopegba, Ayodeji; De Le?n, Elaine; Cohen, Joanna E

    2016-01-01

    Objectives Classify and describe the policy approaches used by countries to regulate e-cigarettes. Methods National policies regulating e-cigarettes were identified by (1) conducting web searches on Ministry of Health websites, and (2) broad web searches. The mechanisms used to regulate e-cigarettes were classified as new/amended laws, or existing laws. The policy domains identified include restrictions or prohibitions on product: sale, manufacturing, importation, distribution, use, product d...

  20. Electronic waste management approaches: An overview

    Kiddee, Peeranart [Centre for Environmental Risk Assessment and Remediation, University of South Australia, Mawson Lakes Campus, Adelaide, SA 5095 (Australia); Cooperative Research Centre for Contamination Assessment and Remediation of the Environment, Mawson Lakes Campus, Adelaide, SA 5095 (Australia); Naidu, Ravi, E-mail: ravi.naidu@crccare.com [Centre for Environmental Risk Assessment and Remediation, University of South Australia, Mawson Lakes Campus, Adelaide, SA 5095 (Australia); Cooperative Research Centre for Contamination Assessment and Remediation of the Environment, Mawson Lakes Campus, Adelaide, SA 5095 (Australia); Wong, Ming H. [Croucher Institute for Environmental Sciences, Department of Biology, Hong Kong Baptist University, Kowloon Tong (China)

    2013-05-15

    Highlights: ► Human toxicity of hazardous substances in e-waste. ► Environmental impacts of e-waste from disposal processes. ► Life Cycle Assessment (LCA), Material Flow Analysis (MFA), Multi Criteria Analysis (MCA) and Extended Producer Responsibility (EPR) to and solve e-waste problems. ► Key issues relating to tools managing e-waste for sustainable e-waste management. - Abstract: Electronic waste (e-waste) is one of the fastest-growing pollution problems worldwide given the presence if a variety of toxic substances which can contaminate the environment and threaten human health, if disposal protocols are not meticulously managed. This paper presents an overview of toxic substances present in e-waste, their potential environmental and human health impacts together with management strategies currently being used in certain countries. Several tools including Life Cycle Assessment (LCA), Material Flow Analysis (MFA), Multi Criteria Analysis (MCA) and Extended Producer Responsibility (EPR) have been developed to manage e-wastes especially in developed countries. The key to success in terms of e-waste management is to develop eco-design devices, properly collect e-waste, recover and recycle material by safe methods, dispose of e-waste by suitable techniques, forbid the transfer of used electronic devices to developing countries, and raise awareness of the impact of e-waste. No single tool is adequate but together they can complement each other to solve this issue. A national scheme such as EPR is a good policy in solving the growing e-waste problems.

  1. Electronic waste management approaches: An overview

    Kiddee, Peeranart; Naidu, Ravi; Wong, Ming H.

    2013-01-01

    Highlights: ► Human toxicity of hazardous substances in e-waste. ► Environmental impacts of e-waste from disposal processes. ► Life Cycle Assessment (LCA), Material Flow Analysis (MFA), Multi Criteria Analysis (MCA) and Extended Producer Responsibility (EPR) to and solve e-waste problems. ► Key issues relating to tools managing e-waste for sustainable e-waste management. - Abstract: Electronic waste (e-waste) is one of the fastest-growing pollution problems worldwide given the presence if a variety of toxic substances which can contaminate the environment and threaten human health, if disposal protocols are not meticulously managed. This paper presents an overview of toxic substances present in e-waste, their potential environmental and human health impacts together with management strategies currently being used in certain countries. Several tools including Life Cycle Assessment (LCA), Material Flow Analysis (MFA), Multi Criteria Analysis (MCA) and Extended Producer Responsibility (EPR) have been developed to manage e-wastes especially in developed countries. The key to success in terms of e-waste management is to develop eco-design devices, properly collect e-waste, recover and recycle material by safe methods, dispose of e-waste by suitable techniques, forbid the transfer of used electronic devices to developing countries, and raise awareness of the impact of e-waste. No single tool is adequate but together they can complement each other to solve this issue. A national scheme such as EPR is a good policy in solving the growing e-waste problems

  2. Global approaches to regulating electronic cigarettes

    Kennedy, Ryan David; Awopegba, Ayodeji; De León, Elaine; Cohen, Joanna E

    2017-01-01

    Objectives Classify and describe the policy approaches used by countries to regulate e-cigarettes. Methods National policies regulating e-cigarettes were identified by (1) conducting web searches on Ministry of Health websites, and (2) broad web searches. The mechanisms used to regulate e-cigarettes were classified as new/amended laws, or existing laws. The policy domains identified include restrictions or prohibitions on product: sale, manufacturing, importation, distribution, use, product design including e-liquid ingredients, advertising/promotion/sponsorship, trademarks, and regulation requiring: taxation, health warning labels and child-safety standards. The classification of the policy was reviewed by a country expert. Results The search identified 68 countries that regulate e-cigarettes: 22 countries regulate e-cigarettes using existing regulations; 25 countries enacted new policies to regulate e-cigarettes; 7 countries made amendments to existing legislation; 14 countries use a combination of new/amended and existing regulation. Common policies include a minimum-age-of-purchase, indoor-use (vape-free public places) bans and marketing restrictions. Few countries are applying a tax to e-cigarettes. Conclusions A range of regulatory approaches are being applied to e-cigarettes globally; many countries regulate e-cigarettes using legislation not written for e-cigarettes. PMID:27903958

  3. Understanding electron magnetic circular dichroism in a transition potential approach

    Barthel, J.; Mayer, J.; Rusz, J.; Ho, P.-L.; Zhong, X. Y.; Lentzen, M.; Dunin-Borkowski, R. E.; Urban, K. W.; Brown, H. G.; Findlay, S. D.; Allen, L. J.

    2018-04-01

    This paper introduces an approach based on transition potentials for inelastic scattering to understand the underlying physics of electron magnetic circular dichroism (EMCD). The transition potentials are sufficiently localized to permit atomic-scale EMCD. Two-beam and three-beam systematic row cases are discussed in detail in terms of transition potentials for conventional transmission electron microscopy, and the basic symmetries which arise in the three-beam case are confirmed experimentally. Atomic-scale EMCD in scanning transmission electron microscopy (STEM), using both a standard STEM probe and vortex beams, is discussed.

  4. Grid-based electronic structure calculations: The tensor decomposition approach

    Rakhuba, M.V., E-mail: rakhuba.m@gmail.com [Skolkovo Institute of Science and Technology, Novaya St. 100, 143025 Skolkovo, Moscow Region (Russian Federation); Oseledets, I.V., E-mail: i.oseledets@skoltech.ru [Skolkovo Institute of Science and Technology, Novaya St. 100, 143025 Skolkovo, Moscow Region (Russian Federation); Institute of Numerical Mathematics, Russian Academy of Sciences, Gubkina St. 8, 119333 Moscow (Russian Federation)

    2016-05-01

    We present a fully grid-based approach for solving Hartree–Fock and all-electron Kohn–Sham equations based on low-rank approximation of three-dimensional electron orbitals. Due to the low-rank structure the total complexity of the algorithm depends linearly with respect to the one-dimensional grid size. Linear complexity allows for the usage of fine grids, e.g. 8192{sup 3} and, thus, cheap extrapolation procedure. We test the proposed approach on closed-shell atoms up to the argon, several molecules and clusters of hydrogen atoms. All tests show systematical convergence with the required accuracy.

  5. Two-process approach to electron beam welding control

    Lastovirya, V.N.

    1987-01-01

    The analysis and synthesis of multi-dimensional welding control systems, which require the usage of computers, should be conducted within the temporal range. From the general control theory point two approaches - one-process and two-process - are possible to electron beam welding. In case of two-process approach, subprocesses of heat source formation and direct metal melting are separated. Two-process approach leads to two-profile control system and provides the complete controlability of electron beam welding within the frameworks of systems with concentrated, as well as, with distributed parameters. Approach choice for the given problem solution is determined, first of all, by stability degree of heat source during welding

  6. Toward Environmentally Robust Organic Electronics: Approaches and Applications.

    Lee, Eun Kwang; Lee, Moo Yeol; Park, Cheol Hee; Lee, Hae Rang; Oh, Joon Hak

    2017-11-01

    Recent interest in flexible electronics has led to a paradigm shift in consumer electronics, and the emergent development of stretchable and wearable electronics is opening a new spectrum of ubiquitous applications for electronics. Organic electronic materials, such as π-conjugated small molecules and polymers, are highly suitable for use in low-cost wearable electronic devices, and their charge-carrier mobilities have now exceeded that of amorphous silicon. However, their commercialization is minimal, mainly because of weaknesses in terms of operational stability, long-term stability under ambient conditions, and chemical stability related to fabrication processes. Recently, however, many attempts have been made to overcome such instabilities of organic electronic materials. Here, an overview is provided of the strategies developed for environmentally robust organic electronics to overcome the detrimental effects of various critical factors such as oxygen, water, chemicals, heat, and light. Additionally, molecular design approaches to π-conjugated small molecules and polymers that are highly stable under ambient and harsh conditions are explored; such materials will circumvent the need for encapsulation and provide a greater degree of freedom using simple solution-based device-fabrication techniques. Applications that are made possible through these strategies are highlighted. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Pseudogap in the Eliashberg approach based on electron-phonon and electron-electron-phonon interaction

    Szczesniak, R. [Institute of Physics, Czestochowa University of Technology (Poland); Institute of Physics, Jan Dlugosz University in Czestochowa (Poland); Durajski, A.P.; Duda, A.M. [Institute of Physics, Czestochowa University of Technology (Poland)

    2017-04-15

    The properties of the superconducting and the anomalous normal state were described by using the Eliashberg method. The pairing mechanism was reproduced with the help of the Hamiltonian, which models the electron-phonon and the electron-electron-phonon interaction (EEPh). The set of the Eliashberg equations, which determines the order parameter function (φ), the wave function renormalization factor (Z), and the energy shift function (χ), was derived. It was proven that for the sufficiently large values of the EEPh potential, the doping dependence of the order parameter (φ/Z) has the analogous course to that observed experimentally in cuprates. The energy gap in the electron density of states is induced by Z and χ - the contribution from φ is negligible. The electron density of states possesses the characteristic asymmetric form and the pseudogap is observed above the critical temperature. (copyright 2017 by WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  8. Thinking Towards Peace: On Triades and New Cosmology of the Mesocosm

    Lenart Škof

    2016-06-01

    Full Text Available This paper has three parts. In the first part, we bring to the fore an ancient Vedic concept of mesocosm and discuss its religious and cosmic significance within Indian religion. This part also brings an initial approach towards philosophy of spirituality by focusing on the role of breath within the very concept of mesocosm. In the second part, based on our preliminary analysis, we present an original account on triades and Trinitarian thinking in some of the religious traditions by discussing the following questions: (1 What does the triade as a concept bring to theology and religious studies? (2 How could it be understood as a form, representing the most perfect model for the sacred correlation between divine and for the human Being? (3 How is it related to the idea of the “Third Presence,” the relational link between One and Two as primeval ontological realms? In the third and concluding part, we return to the ancient Indoeuropean religion by discussing the mediatory role of the Indo-Iranian Mit(hra.

  9. Responses of stream microbes to multiple anthropogenic stressors in a mesocosm study.

    Nuy, Julia K; Lange, Anja; Beermann, Arne J; Jensen, Manfred; Elbrecht, Vasco; Röhl, Oliver; Peršoh, Derek; Begerow, Dominik; Leese, Florian; Boenigk, Jens

    2018-08-15

    Stream ecosystems are affected by multiple anthropogenic stressors worldwide. Even though effects of many single stressors are comparatively well studied, the effects of multiple stressors are difficult to predict. In particular bacteria and protists, which are responsible for the majority of ecosystem respiration and element flows, are infrequently studied with respect to multiple stressors responses. We conducted a stream mesocosm experiment to characterize the responses of single and multiple stressors on microbiota. Two functionally important stream habitats, leaf litter and benthic phototrophic rock biofilms, were exposed to three stressors in a full factorial design: fine sediment deposition, increased chloride concentration (salinization) and reduced flow velocity. We analyzed the microbial composition in the two habitat types of the mesocosms using an amplicon sequencing approach. Community analysis on different taxonomic levels as well as principle component analyses (PCoAs) based on realtive abundances of operational taxonomic units (OTUs) showed treatment specific shifts in the eukaryotic biofilm community. Analysis of variance (ANOVA) revealed that Bacillariophyta responded positively salinity and sediment increase, while the relative read abundance of chlorophyte taxa decreased. The combined effects of multiple stressors were mainly antagonistic. Therefore, the community composition in multiply stressed environments resembled the composition of the unstressed control community in terms of OTU occurrence and relative abundances. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.

  10. Fate of pharmaceutical compounds in hydroponic mesocosms planted with Scirpus validus.

    Zhang, Dong Qing; Gersberg, Richard M; Hua, Tao; Zhu, Junfei; Goyal, Manish Kumar; Ng, Wun Jern; Tan, Soon Keat

    2013-10-01

    A systematic approach to assess the fate of selected pharmaceuticals (carbamazepine, naproxen, diclofenac, clofibric acid and caffeine) in hydroponic mesocosms is described. The overall objective was to determine the kinetics of depletion (from solution) and plant uptake for these compounds in mesocosms planted with S. validus growing hydroponically. The potential for translocation of these pharmaceuticals from the roots to the shoots was also assessed. After 21 days of incubation, nearly all of the caffeine, naproxen and diclofenac were eliminated from solution, whereas carbamazepine and clofibric acid were recalcitrant to both photodegradation and biodegradation. The fact that the BAFs for roots for carbamazepine and clofibric acid were greater than 5, while the BAFs for naproxen, diclofenac and caffeine were less than 5, implied that the latter two compounds although recalcitrant to biodegradation, still had relatively high potential for plant uptake. Naproxen was sensitive to both photodegradation (30-42%) and biodegradation (>50%), while diclofenac was particularly sensitive (>70%) to photodegradation alone. No significant correlations (p > 0.05) were found between the rate constants of depletion or plant tissue levels of the pharmaceuticals and either log Kow or log Dow. Copyright © 2013 Elsevier Ltd. All rights reserved.

  11. The use of mesocosms in marine oil spill - ecological research and development

    Reilly, T.J.

    1999-01-01

    This paper focuses on the design of mesocosms which are partly enclosed, bounded, outdoor experimental systems for simulating marine oil spill environments for use in examining the ecological impact of the spill response. System requirements for mesocosms in marine oil spill ecological research and development are discussed, and the question of scaling, and mesocosm tank features useful in coastal/nearshore ecological marine oil spill research are considered. Details are given of the MERL mesocosm facility at the University of Rhode Island, and the Coastal Oil-Spill Simulation System (COSS) multiple tank mesocosm facility in Texas, and recommendations for the design and use of marine mesocosms in oil spill ecological impact studies are presented. (UK)

  12. Electronic structure of a striped nickelate studied by the exact exchange for correlated electrons (EECE) approach

    Schwingenschlögl, Udo

    2009-12-01

    Motivated by a RIXS study of Wakimoto, et al.(Phys. Rev. Lett., 102 (2009) 157001) we use density functional theory to analyze the magnetic order in the nickelate La5/3Sr1/3NiO4 and the details of its crystal and electronic structure. We compare the generalized gradient approximation to the hybrid functional approach of exact exchange for correlated electrons (EECE). In contrast to the former, the latter reproduces the insulating state of the compound and the midgap states. The EECE approach, in general, appears to be appropriate for describing stripe phases in systems with orbital degrees of freedom. Copyright © EPLA, 2009.

  13. Neo-Institutional Approach to the Study of Electronic Government

    Yan I. Vaslavskiy

    2016-01-01

    Full Text Available The article is devoted to the neo-institutional approach as a methodological basis in the study of electronic government. In this article substantiates the choice of neo-institutional approach to the study of the processes of implementation of information and communication technologies in the activity of state institutions, analyzes the differences of neoinstitutionalism from traditional institutional approach, considers the features of the different directions of neo-institutionalism, namely sociological, historical and rational choice theory. Attention is paid to the reasons for the renewed interest in political institutions in political science. The article emphasizes the importance of considering the electronic government as an institution, and the conditions for its implementation in the Russian political system as the institutional environment. The authors pay special attention to the variety of sociological neo-institutionalism, used, in addition to political science in sociology of organizations. The article substantiates the value of using sociological institutionalism to explore the electronic government based on a comparative analysis of e-government projects in Russia and abroad and explores its heuristic capabilities. It examines the impact of the system of norms and values of the institutional environment on the processes of formation and development of electronic government in Russia. The research capacity of this theory is due to the fact that it allows us to trace the reasons for copying and replication of inefficient practices and organizational and management schemes, to identify the factors impeding innovation use by the state of electronic interaction technologies. It is emphasized that the use of the theory of institutional isomorphism is useful in the sphere of implementation of electronic technologies, in which a key role play pluralism, horizontal managerial communication, inter-agency coordination.

  14. Orbital approach to the electronic structure of solids

    Canadell, Enric; Iung, Christophe

    2012-01-01

    This book provides an intuitive yet sound understanding of how structure and properties of solids may be related. The natural link is provided by the band theory approach to the electronic structure of solids. The chemically insightful concept of orbital interaction and the essential machinery of band theory are used throughout the book to build links between the crystal and electronic structure of periodic systems. In such a way, it is shown how important tools for understandingproperties of solids like the density of states, the Fermi surface etc. can be qualitatively sketched and used to ei

  15. Sensor data as a measure of native freshwater mussel impact on nitrate formation and food digestion in continuous-flow mesocosms

    Bril, Jeremy S.; Durst, Jonathan J.; Hurley, Brion M.; Just, Craig L.; Newton, Teresa J.

    2014-01-01

    Native freshwater mussels can influence the aquatic N cycle, but the mechanisms and magnitude of this effect are not fully understood. We assessed the effects of Amblema plicata and Lampsilis cardium on N transformations over 72 d in 4 continuous-flow mesocosms, with 2 replicates of 2 treatments (mesocosms with and without mussels), equipped with electronic water-chemistry sensors. We compared sensor data to discrete sample data to assess the effect of additional sensor measurements on the ability to detect mussel-related effects on NO3– formation. Analysis of 624 sensor-based data points detected a nearly 6% increase in NO3– concentration in overlying water of mesocosms with mussels relative to mesocosms without mussels (p 3– between treatments. Mussels also significantly increased NO2– concentrations in the overlying water, but no significant difference in total N was observed. We used the sensor data for phytoplankton-N and NH4+ to infer that digestion times in mussels were 13 ± 6 h. The results suggest that rapid increases in phytoplankton-N levels in the overlying water can lead to decreased lag times between phytoplankton-N and NH4+ maxima. This result indicates that mussels may adjust their digestion rates in response to increased levels of food. The adjustment in digestion time suggests that mussels have a strong response to food availability that can disrupt typical circadian rhythms. Use of sensor data to measure directly and to infer mussel effects on aquatic N transformations at the mesocosm scale could be useful at larger scales in the future.

  16. Path integral approach to electron scattering in classical electromagnetic potential

    Xu Chuang; Feng Feng; Li Ying-Jun

    2016-01-01

    As is known to all, the electron scattering in classical electromagnetic potential is one of the most widespread applications of quantum theory. Nevertheless, many discussions about electron scattering are based upon single-particle Schrodinger equation or Dirac equation in quantum mechanics rather than the method of quantum field theory. In this paper, by using the path integral approach of quantum field theory, we perturbatively evaluate the scattering amplitude up to the second order for the electron scattering by the classical electromagnetic potential. The results we derive are convenient to apply to all sorts of potential forms. Furthermore, by means of the obtained results, we give explicit calculations for the one-dimensional electric potential. (paper)

  17. Cyber Physical Systems Approach to Power Electronics Education

    Marko Vekić

    2012-12-01

    Full Text Available This paper proposes a Cyber Physical Approach (CPS to power electronics (PE education where all aspects of PE technology from circuit topology to the implementation of real time control code on a microprocessor are dealt with as an inseparable whole, and only the system complexity is increased during the course of instruction. This approach is now made practical thanks to the affordable and unrestricted access to high-power PE laboratory infrastructure (PE laboratory in a box in the form of high-fidelity digital PE emulators with 1us calculation time step and latency.

  18. Quantitative vs. qualitative approaches to the electronic structure of solids

    Oliva, J.M.; Llunell, Miquel; Alemany, Pere; Canadell, Enric

    2003-01-01

    The usefulness of qualitative and quantitative theoretical approaches in solid state chemistry is discussed by considering three different types of problems: (a) the distribution of boron and carbon atoms in MB 2 C 2 (M=Ca, La, etc.) phases, (b) the band structure and Fermi surface of low-dimensional transition metal oxides and bronzes, and (c) the correlation between the crystal and electronic structure of the ternary nitride Ca 2 AuN

  19. An effective approach for choosing an electronic health record.

    Rowley, Robert

    2009-01-01

    With government stimulus money becoming available to encourage healthcare facilities to adopt electronic health record (EHR) systems, the decision to move forward with implementing an EHR system has taken on an urgency not previously seen. The EHR landscape is evolving rapidly and the underlying technology platform is becoming increasingly interconnected. One must make sure that an EHR decision does not lock oneself into technology obsolescence. The best approach for evaluating an EHR is on the basis of:usability, interoperability, and affordability.

  20. A multi-frequency approach to free electron lasers driven by short electron bunches

    Piovella, Nicola

    1997-01-01

    A multi-frequency model for free electron lasers (FELs), based on the Fourier decomposition of the radiation field coupled with the beam electrons, is discussed. We show that the multi-frequency approach allows for an accurate description of the evolution of the radiation spectrum, also when the FEL is driven by short electron bunches, of arbitrary longitudinal profile. We derive from the multi-frequency model, by averaging over one radiation period, the usual FEL equations modelling the slippage between radiation and particles and describing the super-radiant regime in high-gain FELs. As an example of application of the multi-frequency model, we discuss the coherent spontaneous emission (CSE) from short electron bunches

  1. Materials and processing approaches for foundry-compatible transient electronics

    Chang, Jan-Kai; Fang, Hui; Bower, Christopher A.; Song, Enming; Yu, Xinge; Rogers, John A.

    2017-07-01

    Foundry-based routes to transient silicon electronic devices have the potential to serve as the manufacturing basis for “green” electronic devices, biodegradable implants, hardware secure data storage systems, and unrecoverable remote devices. This article introduces materials and processing approaches that enable state-of-the-art silicon complementary metal-oxide-semiconductor (CMOS) foundries to be leveraged for high-performance, water-soluble forms of electronics. The key elements are (i) collections of biodegradable electronic materials (e.g., silicon, tungsten, silicon nitride, silicon dioxide) and device architectures that are compatible with manufacturing procedures currently used in the integrated circuit industry, (ii) release schemes and transfer printing methods for integration of multiple ultrathin components formed in this way onto biodegradable polymer substrates, and (iii) planarization and metallization techniques to yield interconnected and fully functional systems. Various CMOS devices and circuit elements created in this fashion and detailed measurements of their electrical characteristics highlight the capabilities. Accelerated dissolution studies in aqueous environments reveal the chemical kinetics associated with the underlying transient behaviors. The results demonstrate the technical feasibility for using foundry-based routes to sophisticated forms of transient electronic devices, with functional capabilities and cost structures that could support diverse applications in the biomedical, military, industrial, and consumer industries.

  2. Analytic approach to auroral electron transport and energy degradation

    Stamnes, K.

    1980-01-01

    The interaction of a beam of auroral electrons with the atmosphere is described by the linear transport equation, encompassing discrete energy loss, multiple scattering, and secondary electrons. A solution to the transport equation provides the electron intensity as a function of altitude, pitch angle (with respect to the geomagnetic field) and energy. A multi-stream (discrete ordinate) approximation to the transport equation is developed. An analytic solution is obtained in this approximation. The computational scheme obtained by combining the present transport code with the energy degradation method of Swartz (1979) conserves energy identically. The theory provides a framework within which angular distributions can be easily calculated and interpreted. Thus, a detailed study of the angular distributions of 'non-absorbed' electrons (i.e., electrons that have lost just a small fraction of their incident energy) reveals a systematic variation with incident angle and energy, and with penetration depth. The present approach also gives simple yet accurate solutions in low order multi-stream approximations. The accuracy of the four-stream approximation is generally within a few per cent, whereas two-stream results for backscattered mean intensities and fluxes are accurate to within 10-15%. (author)

  3. Path-integral approach to resonant electron-molecule scattering

    Winterstetter, M.; Domcke, W.

    1993-01-01

    A path-integral formulation of resonant electron-molecule scattering is developed within the framework of the projection-operator formalism of scattering theory. The formation and decay of resonances is treated in real time as a quantum-mechanical electronic-tunneling process, modified by the coupling of the electronic motion with the nuclear degrees of freedom. It is shown that the electronic continuum can be summed over in the path-integral formulation, resulting formally in the path integral for an effective two-state system with coupling to vibrations. The harmonic-oscillator approximation is adopted for the vibrational motion in the present work. Approximation methods are introduced which render the numerical evaluation of the sum over paths feasible for up to ∼10 3 elementary time slices. The theory is numerically realized for simple but nontrivial models representing the 2 Π g d-wave shape resonance in e - +N 2 collisions and the 2 Σ u + p-wave shape resonance in e - +H 2 collisions, respectively. The accuracy of the path-integral results is assessed by comparison with exact numerical reference data for these models. The essential virtue of the path-integral approach is the fact that the computational effort scales at most linearly with the number of vibrational degrees of freedom. The path-integral method is thus well suited to treat electron collisions with polyatomic molecules and molecular aggregates

  4. Carbon and nitrogen dynamics in mesocosms of five different European peatlands

    Blodau, Christian; Zajac, Katarzyna

    2015-04-01

    Elevated nitrogen (N) deposition, a key growth limiting nutrient in ombrotrophic peatlands, can cause various shifts in peatland N cycling. Quantification of N transformation rates and fluxes within peatlands that are induced by long-term N deposition is crucial for understanding the mechanisms and robustness of N retention. Using a 15N labeled tracer under steady state conditions at two water table levels, we investigated the fate of N in mesocosms from five European peatlands, which have a history of differing long-term N load. Peat contained the largest N pool, followed by Sphagnum (0 - 5 cm), shrubs, graminoids and the dissolved pool. We found a decline of N recovery from the peat and an increase of N recovery from shrubs and the dissolved pool across the N deposition gradient. Sphagnum mosses not only intercepted large amounts of 15N in the mesocosms (0.2 - 0.35 mg g-1) but they also retained the tracer most effectively relative to their biomass. Polluted sites (Lille Vildmose, Frölichshaier Sattelmoor) contained the largest dissolved nitrogen pools and the highest nitrate concentrations. At the same time the recoveries of their Sphagnum pools were in the range of the recovery recorded for the Sphagnum layer from the 'clean' site (Degerö Stormyr). Our experiment shows that a decline in N retention at levels above ca. 1.5 g m-2 yr-1, as expressed by elevated near-surface peat N content and increased dissolved N concentrations, might not be an evidence for Sphagnum saturation. As long as N is required for the synthesis of biomass Sphagnum species can thrive even at strongly elevated long-term N loads. A change in WT position from -28 to -8 cm influenced CO2 fluxes from mesocosms only to a small degree, which implies that small changes in water table position may be less important in controlling CO2 exchange with the atmosphere than often assumed. Although water table rise was a main driver for increase of methane emissions in all cores, short time lags (3

  5. Electronic excitation of atoms and molecules by electron impact in a linear algebraic, separable potential approach

    Collins, L.A.; Schneider, B.I.

    1984-01-01

    The linear algebraic, separable potential approach is applied to the electronic excitation of atoms and molecules by electron impact. By representing the exchange and off-diagonal direct terms on a basis, the standard set of coupled inelastic equations is reduced to a set of elastic inhomogeneous equations. The procedure greatly simplifies the formulation by allowing a large portion of the problem to be handled by standard bound-state techniques and by greatly reducing the order of the scattering equations that must be solved. Application is made to the excitation of atomic hydrogen in the three-state close-coupling (1s, 2s, 2p) approximation. (author)

  6. Approaches to Golden Algae Control: In-Lake Mesocosm Experiments

    2012-04-01

    taxonomic groups from concentrations of pigment biomarkers (Mackey et al. 1997, Wright et al. 1996). The program uses a steepest descent algorithm to...treatments proved effective against P. parvum accumulation and onset of toxicity (with the exception of the low NH4 dosage ). All three flushing...Addition of NH4 showed mixed results. The high dosage was lethal to P. parvum, while the lower dosage showed no effect on the accumulation of cells

  7. Methods applied in the large littoral mesocosms study of nutrient enrichment in rocky shore ecosystems - EULIT

    Bokn, T.L.; Hoell, E.E.; Kersting, K.; Moy, F.E.; Sorensen, K.

    2001-01-01

    Eight concrete land-based mesocosms have been set up for a study of the effect of nutrient enrichment on littoral hard bottom ecosystems. The construction of the mesocosms and the community establishment were initiated 2 yr ahead of the MAST-III project. The littoral communities were established by

  8. Modeling Electronic Circular Dichroism within the Polarizable Embedding Approach

    Nørby, Morten S; Olsen, Jógvan Magnus Haugaard; Steinmann, Casper

    2017-01-01

    We present a systematic investigation of the key components needed to model single chromophore electronic circular dichroism (ECD) within the polarizable embedding (PE) approach. By relying on accurate forms of the embedding potential, where especially the inclusion of local field effects...... are in focus, we show that qualitative agreement between rotatory strength parameters calculated by full quantum mechanical calculations and the more efficient embedding calculations can be obtained. An important aspect in the computation of reliable absorption parameters is the need for conformational...... sampling. We show that a significant number of snapshots are needed to avoid artifacts in the calculated electronic circular dichroism parameters due to insufficient configurational sampling, thus highlighting the efficiency of the PE model....

  9. Mesocosm experiments on tritium dynamics in carp fish

    Reji, T.K.; Vishnu, M.S.; Joshi, R.M.; Dileep, B.N.; Baburajan, A.; Ravi, P.M.

    2013-01-01

    Tritium dynamics in carp fish (Cyprinus carpio) was studied in a locally designed mesocosm simulating a lake condition. The fishes were reared in an experimental tank containing tritiated water. Tissue Free water tritium (TFWT) concentration and Organically Bound Tritium (OBT) was measured for 3 months period. TFWT reached equilibrium with exposed water within one day. Detectable amount of OBT was observed after two months of exposure. OBT to TFWT ratio was 0.1. Estimated OBT was in agreement with that calculated using IAEA specific activity model. (author)

  10. Fate of pharmaceutical compounds in hydroponic mesocosms planted with Scirpus validus

    Zhang, Dong Qing; Gersberg, Richard M.; Hua, Tao; Zhu, Junfei; Goyal, Manish Kumar; Ng, Wun Jern; Tan, Soon Keat

    2013-01-01

    A systematic approach to assess the fate of selected pharmaceuticals (carbamazepine, naproxen, diclofenac, clofibric acid and caffeine) in hydroponic mesocosms is described. The overall objective was to determine the kinetics of depletion (from solution) and plant uptake for these compounds in mesocosms planted with S. validus growing hydroponically. The potential for translocation of these pharmaceuticals from the roots to the shoots was also assessed. After 21 days of incubation, nearly all of the caffeine, naproxen and diclofenac were eliminated from solution, whereas carbamazepine and clofibric acid were recalcitrant to both photodegradation and biodegradation. The fact that the BAFs for roots for carbamazepine and clofibric acid were greater than 5, while the BAFs for naproxen, diclofenac and caffeine were less than 5, implied that the latter two compounds although recalcitrant to biodegradation, still had relatively high potential for plant uptake. Naproxen was sensitive to both photodegradation (30–42%) and biodegradation (>50%), while diclofenac was particularly sensitive (>70%) to photodegradation alone. No significant correlations (p > 0.05) were found between the rate constants of depletion or plant tissue levels of the pharmaceuticals and either log K ow or log D ow . -- Highlights: •All of pharmaceuticals were removed from solution efficiently after 21 d of incubation. •Effects of photodegradation and biodegradation on pharmaceutical removal were studied. •The pharmaceutical concentrations in the plant tissues were detected. •No correlation was found between pharmaceutical levels in plant tissues and log K ow or log D ow . •Log K ow is the most significant parameter for predicting pharmaceutical levels. -- All the tested pharmaceuticals (carbamazepine, naproxen, diclofenac, clofibric acid and caffeine) were efficiently removed from nutrient solution

  11. Problems and Projects Based Approach For Analog Electronic Circuits' Course

    Vahé Nerguizian

    2009-04-01

    Full Text Available New educational methods and approaches are recently introduced and implemented at several North American and European universities using Problems and Projects Based Approach (PPBA. The PPBA employs a teaching technique based mostly on competences/skills rather than only on knowledge. This method has been implemented and proven by several pedagogical instructors and authors at several educational institutions. This approach is used at different disciplines such as medicine, biology, engineering and many others. It has the advantage to improve the student's skills and the knowledge retention rate, and reflects the 21st century industrial/company needs and demands. Before implementing this approach to a course, a good resources preparation and planning is needed upfront by the responsible or instructor of the course to achieve the course and students related objectives. This paper presents the preparation, the generated documentation and the implementation of a pilot project utilizing PPBA education for a second year undergraduate electronic course over a complete semester, and for two different class groups (morning and evening groups. The outcome of this project (achieved goals, observed difficulties and lessons learned is presented based on different tools such as students 'in class' communication and feedback, different course evaluation forms and the professor/instructor feedback. Resources, challenges, difficulties and recommendations are also assessed and presented. The impact, the effect and the results (during and at the end of the academic fall session of the PPBA on students and instructor are discussed, validated, managed and communicated to help other instructor in taking appropriate approach decisions with respect to this new educational approach compared to the classical one.

  12. Exciton Scattering approach for conjugated macromolecules: from electronic spectra to electron-phonon coupling

    Tretiak, Sergei

    2014-03-01

    The exciton scattering (ES) technique is a multiscale approach developed for efficient calculations of excited-state electronic structure and optical spectra in low-dimensional conjugated macromolecules. Within the ES method, the electronic excitations in the molecular structure are attributed to standing waves representing quantum quasi-particles (excitons), which reside on the graph. The exciton propagation on the linear segments is characterized by the exciton dispersion, whereas the exciton scattering on the branching centers is determined by the energy-dependent scattering matrices. Using these ES energetic parameters, the excitation energies are then found by solving a set of generalized ``particle in a box'' problems on the graph that represents the molecule. All parameters can be extracted from quantum-chemical computations of small molecular fragments and tabulated in the ES library for further applications. Subsequently, spectroscopic modeling for any macrostructure within considered molecular family could be performed with negligible numerical effort. The exciton scattering properties of molecular vertices can be further described by tight-binding or equivalently lattice models. The on-site energies and hopping constants are obtained from the exciton dispersion and scattering matrices. Such tight-binding model approach is particularly useful to describe the exciton-phonon coupling, energetic disorder and incoherent energy transfer in large branched conjugated molecules. Overall the ES applications accurately reproduce the optical spectra compared to the reference quantum chemistry results, and make possible to predict spectra of complex macromolecules, where conventional electronic structure calculations are unfeasible.

  13. Water flow in Sphagnum hummocks: Mesocosm measurements and modelling

    Price, Jonathan S.; Whittington, Peter N.

    2010-02-01

    SummaryThe internal water fluxes within Sphagnum mosses critically affect the rate of evaporation and the wetness of the living upper few centimetres of moss (capitula) and the physiological processes (e.g. photosynthesis) that support them. To quantify water fluxes and stores in Sphagnum rubellum hummocks we used a 30 cm high column (mesocosm) of undisturbed hummock moss including the capitula, and applied a number of experiments to investigate (1) staged lowering (and raising) of the water table ( wt) with a manometer tube; (2) pumped seepage of about 0.7 cm d -1 to produce a wt drop of 1.5 cm day -1; and (3) evaporation averaging 3.2 mm d -1. Water content ( θ) at saturation ( θ s) was ˜0.9 cm 3 cm -3 for all depths. Residual water content ( θ r) was 0.2 cm 3 cm -3 at 5 cm depth, increasing to 0.47 cm 3 cm -3 at 25 cm depth. Hydraulic conductivity ( K) of the same top 5 cm layer ranged from 1.8 × 10 -3 m s -1 at θ s to 4 × 10 -8 m s -1 at θ r. By comparison K at 25 cm depth had a much more limited range from 2.3 × 10 -4 m s -1 at θ s to 1.1 × 10 -5 m s -1 at θ r. Staged wt lowering from -10 cm to -30 cm (no evaporation allowed) resulted in an abrupt change in θ that reached a stable value generally within an hour, indicating the responsiveness of moss to drainage. Staged increases also resulted in an abrupt rise in θ, but in some cases several days were required for θ to equilibrate. Pumped seepage resulted in a sequential decline of θ, requiring about 10 days for each layer to reach θ r after the water table dropped below the sensor at the respective depths. Evaporation resulted in a similar pattern of decline but took almost three times as long. The computer simulation Hydrus 1D was used to model the fluxes and provided a good fit for the staged lowering and pumped seepage experiments, but overestimated the water loss by evaporation. We believe the reason for this is that over the longer evaporation experiment, the monolith underwent

  14. A practical approach for electron monitor unit calculation

    Choi, David; Patyal, Baldev; Cho, Jongmin; Cheng, Ing Y; Nookala, Prashanth

    2009-01-01

    Electron monitor unit (MU) calculation requires measured beam data such as the relative output factor (ROF) of a cone, insert correction factor (ICF) and effective source-to-surface distance (ESD). Measuring the beam data to cover all possible clinical cases is not practical for a busy clinic because it takes tremendous time and labor. In this study, we propose a practical approach to reduce the number of data measurements without affecting accuracy. It is based on two findings of dosimetric properties of electron beams. One is that the output ratio of two inserts is independent of the cone used, and the other is that ESD is a function of field size but independent of cone and jaw opening. For the measurements to prove the findings, a parallel plate ion chamber (Markus, PTW 23343) with an electrometer (Cardinal Health 35040) was used. We measured the outputs to determine ROF, ICF and ESD of different energies (5-21 MeV). Measurements were made in a Plastic Water(TM) phantom or in water. Three linear accelerators were used: Siemens MD2 (S/N 2689), Siemens Primus (S/N 3305) and Varian Clinic 21-EX (S/N 1495). With these findings, the number of data set to be measured can be reduced to less than 20% of the data points. (note)

  15. Inverse Problem Approach for the Alignment of Electron Tomographic Series

    Tran, V.D.; Moreaud, M.; Thiebaut, E.; Denis, L.; Becker, J.M.

    2014-01-01

    In the refining industry, morphological measurements of particles have become an essential part in the characterization catalyst supports. Through these parameters, one can infer the specific physico-chemical properties of the studied materials. One of the main acquisition techniques is electron tomography (or nano-tomography). 3D volumes are reconstructed from sets of projections from different angles made by a Transmission Electron Microscope (TEM). This technique provides a real three-dimensional information at the nano-metric scale. A major issue in this method is the misalignment of the projections that contributes to the reconstruction. The current alignment techniques usually employ fiducial markers such as gold particles for a correct alignment of the images. When the use of markers is not possible, the correlation between adjacent projections is used to align them. However, this method sometimes fails. In this paper, we propose a new method based on the inverse problem approach where a certain criterion is minimized using a variant of the Nelder and Mead simplex algorithm. The proposed approach is composed of two steps. The first step consists of an initial alignment process, which relies on the minimization of a cost function based on robust statistics measuring the similarity of a projection to its previous projections in the series. It reduces strong shifts resulting from the acquisition between successive projections. In the second step, the pre-registered projections are used to initialize an iterative alignment-refinement process which alternates between (i) volume reconstructions and (ii) registrations of measured projections onto simulated projections computed from the volume reconstructed in (i). At the end of this process, we have a correct reconstruction of the volume, the projections being correctly aligned. Our method is tested on simulated data and shown to estimate accurately the translation, rotation and scale of arbitrary transforms. We

  16. A Dictionary Approach to Electron Backscatter Diffraction Indexing.

    Chen, Yu H; Park, Se Un; Wei, Dennis; Newstadt, Greg; Jackson, Michael A; Simmons, Jeff P; De Graef, Marc; Hero, Alfred O

    2015-06-01

    We propose a framework for indexing of grain and subgrain structures in electron backscatter diffraction patterns of polycrystalline materials. We discretize the domain of a dynamical forward model onto a dense grid of orientations, producing a dictionary of patterns. For each measured pattern, we identify the most similar patterns in the dictionary, and identify boundaries, detect anomalies, and index crystal orientations. The statistical distribution of these closest matches is used in an unsupervised binary decision tree (DT) classifier to identify grain boundaries and anomalous regions. The DT classifies a pattern as an anomaly if it has an abnormally low similarity to any pattern in the dictionary. It classifies a pixel as being near a grain boundary if the highly ranked patterns in the dictionary differ significantly over the pixel's neighborhood. Indexing is accomplished by computing the mean orientation of the closest matches to each pattern. The mean orientation is estimated using a maximum likelihood approach that models the orientation distribution as a mixture of Von Mises-Fisher distributions over the quaternionic three sphere. The proposed dictionary matching approach permits segmentation, anomaly detection, and indexing to be performed in a unified manner with the additional benefit of uncertainty quantification.

  17. Shaping the Electronic Library--The UW-Madison Approach.

    Dean, Charles W., Ed.; Frazier, Ken; Pope, Nolan F.; Gorman, Peter C.; Dentinger, Sue; Boston, Jeanne; Phillips, Hugh; Daggett, Steven C.; Lundquist, Mitch; McClung, Mark; Riley, Curran; Allan, Craig; Waugh, David

    1998-01-01

    This special theme section describes the University of Wisconsin-Madison's experience building its Electronic Library. Highlights include integrating resources and services; the administrative framework; the public electronic library, including electronic publishing capability and access to World Wide Web-based and other electronic resources;…

  18. Molecular self-assembly approaches for supramolecular electronic and organic electronic devices

    Yip, Hin-Lap

    Molecular self-assembly represents an efficient bottom-up strategy to generate structurally well-defined aggregates of semiconducting pi-conjugated materials. The capability of tuning the chemical structures, intermolecular interactions and nanostructures through molecular engineering and novel materials processing renders it possible to tailor a large number of unprecedented properties such as charge transport, energy transfer and light harvesting. This approach does not only benefit traditional electronic devices based on bulk materials, but also generate a new research area so called "supramolecular electronics" in which electronic devices are built up with individual supramolecular nanostructures with size in the sub-hundred nanometers range. My work combined molecular self-assembly together with several novel materials processing techniques to control the nucleation and growth of organic semiconducting nanostructures from different type of pi-conjugated materials. By tailoring the interactions between the molecules using hydrogen bonds and pi-pi stacking, semiconducting nanoplatelets and nanowires with tunable sizes can be fabricated in solution. These supramolecular nanostructures were further patterned and aligned on solid substrates through printing and chemical templating methods. The capability to control the different hierarchies of organization on surface provides an important platform to study their structural-induced electronic properties. In addition to using molecular self-assembly to create different organic nanostructures, functional self-assembled monolayer (SAM) formed by spontaneous chemisorption on surfaces was used to tune the interfacial property in organic solar cells. Devices showed dramatically improved performance when appropriate SAMs were applied to optimize the contact property for efficiency charge collection.

  19. Data for Macrophyte Community Response to Nitrogen Loading and Thermal Stressors in Rapidly Flushed Mesocosm Systems

    U.S. Environmental Protection Agency — Data represent response variables from a series of mesocosm experiments to assess how estuarine macrophyte communities respond to nitrogen loading under two...

  20. Global warming: Design of a flow-through shallow lake mesocosm climate experiment

    Liboriussen, L.; Landkildehus, F.; Meerhoff, M.

    2005-01-01

    design details, operating characteristics, and background information on a currently operating experimental flow-through mesocosm system that allows investigation of the interactions between simulated climate warming and eutrophication and their impacts on biological structure and ecosystem processes...

  1. Different effects of planktonic invertebrate predators and fish on the plankton community in experimental mesocosms

    Šorf, M.; Brandl, Z.; Znachor, Petr; Vašek, Mojmír

    2014-01-01

    Roč. 50, č. 1 (2014), s. 71-83 ISSN 0003-4088 Institutional support: RVO:60077344 Keywords : predation * zooplankton * perch * roach * mesocosms Subject RIV: DA - Hydrology ; Limnology Impact factor: 1.042, year: 2014

  2. Analysis of community-level mesocosm data based on ecologically meaningful dissimilarity measures and data transformation

    Tebby, Cleo; Joachim, Sandrine; Brink, Van den Paul J.; Porcher, Jean Marc; Beaudouin, Rémy

    2017-01-01

    The principal response curve (PRC) method is a constrained ordination method developed specifically for the analysis of community data collected in mesocosm experiments, which provides easily understood summaries and graphical representations of community response to stress. It is a redundancy

  3. Mimicking floodplain reconnection and disconnection using 15N mesocosm incubations

    Welti, N.; Bondar-Kunze, E.; Mair, M.; Bonin, P.; Wanek, W.; Pinay, G.; Hein, T.

    2012-11-01

    Floodplain restoration changes the nitrate delivery pattern and dissolved organic matter pool in backwaters, though the effects these changes have are not yet well known. We performed two mesocosm experiments on floodplain sediments to quantify the nitrate metabolism in two types of floodplains. Rates of denitrification, dissimilatory nitrate reduction to ammonium (DNRA) and anammox were measured using 15N-NO3 tracer additions in mesocosms of undisturbed floodplain sediments originating from (1) restored and (2) disconnected sites in the Alluvial Zone National Park on the Danube River downstream of Vienna, Austria. DNRA rates were an order of magnitude lower than denitrification and neither rate was affected by changes in nitrate delivery pattern or organic matter quality. Anammox was not detected at any of the sites. Denitrification was out-competed by assimilation, which was estimated to use up to 70% of the available nitrate. Overall, denitrification was higher in the restored sites, with mean rates of 5.7 ± 2.8 mmol N m-2 h-1 compared to the disconnected site (0.6 ± 0.5 mmol N m-2 h-1). In addition, ratios of N2O : N2 were lower in the restored site indicating a more complete denitrification. Nitrate addition had neither an effect on denitrification, nor on the N2O : N2 ratio. However, DOM (dissolved organic matter) quality significantly changed the N2O : N2 ratio in both sites. Addition of riverine-derived organic matter lowered the N2O : N2 ratio in the disconnected site, whereas addition of floodplain-derived organic matter increased the N2O : N2 ratio in the restored site. These results demonstrate that increasing floodplains hydrological connection to the main river channel increases nitrogen retention and decreases nitrous oxide emissions.

  4. Effects of influent strength on microorganisms in surface flow mesocosm wetlands.

    Tao, Wendong; Hall, Ken J; Ramey, William

    2007-11-01

    To choose an appropriate dilution ratio to treat woodwaste leachate without inhibition on heterotrophic bacteria, microbial ATP concentration and the rates of heterotrophic leucine incorporation and acetate uptake were compared across surface flow mesocosm wetlands fed with different strengths of influent. Abundances of protozoa and respiring bacteria were investigated in two mesocosm wetlands to elucidate the effects of influent strength on heterotrophic bacteria. The strongest influent or the raw leachate did not show a significant inhibitory effect on leucine incorporation and acetate uptake. Instead, leucine incorporation rates by bacteria in water, epiphytic biofilm and sediment were higher in mesocosm wetlands fed with a stronger influent. There were significantly more respiring planktonic bacteria (451 x 10(5) mL(-1)) and fewer nanoflagellates (3.8 x 10(3) mL(-1)) in the mesocosm fed with a strong influent, while fewer respiring planktonic bacteria (38.7 x 10(5)mL(-1)) and more nanoflagellates (15.4 x 10(3) mL(-1)) in the mesocosm fed with a weak influent. The majority of the total microbial ATP was attributed to sedimentary bacteria, of which >96% were inactive. Heterotrophic activity and its distribution among water, epiphytic biofilm and sediment in the mesocosm wetlands were affected by availability of bacterial substrates and grazing pressure of nanoflagellates.

  5. Representing electrons a biographical approach to theoretical entities

    Arabatzis, Theodore

    2006-01-01

    Both a history and a metahistory, Representing Electrons focuses on the development of various theoretical representations of electrons from the late 1890s to 1925 and the methodological problems associated with writing about unobservable scientific entities. Using the electron-or rather its representation-as a historical actor, Theodore Arabatzis illustrates the emergence and gradual consolidation of its representation in physics, its career throughout old quantum theory, and its appropriation and reinterpretation by chemists. As Arabatzis develops this novel biographical

  6. Data-driven approach for creating synthetic electronic medical records.

    Buczak, Anna L; Babin, Steven; Moniz, Linda

    2010-10-14

    New algorithms for disease outbreak detection are being developed to take advantage of full electronic medical records (EMRs) that contain a wealth of patient information. However, due to privacy concerns, even anonymized EMRs cannot be shared among researchers, resulting in great difficulty in comparing the effectiveness of these algorithms. To bridge the gap between novel bio-surveillance algorithms operating on full EMRs and the lack of non-identifiable EMR data, a method for generating complete and synthetic EMRs was developed. This paper describes a novel methodology for generating complete synthetic EMRs both for an outbreak illness of interest (tularemia) and for background records. The method developed has three major steps: 1) synthetic patient identity and basic information generation; 2) identification of care patterns that the synthetic patients would receive based on the information present in real EMR data for similar health problems; 3) adaptation of these care patterns to the synthetic patient population. We generated EMRs, including visit records, clinical activity, laboratory orders/results and radiology orders/results for 203 synthetic tularemia outbreak patients. Validation of the records by a medical expert revealed problems in 19% of the records; these were subsequently corrected. We also generated background EMRs for over 3000 patients in the 4-11 yr age group. Validation of those records by a medical expert revealed problems in fewer than 3% of these background patient EMRs and the errors were subsequently rectified. A data-driven method was developed for generating fully synthetic EMRs. The method is general and can be applied to any data set that has similar data elements (such as laboratory and radiology orders and results, clinical activity, prescription orders). The pilot synthetic outbreak records were for tularemia but our approach may be adapted to other infectious diseases. The pilot synthetic background records were in the 4

  7. Compact femtosecond electron diffractometer with 100 keV electron bunches approaching the single-electron pulse duration limit

    Waldecker, Lutz; Bertoni, Roman; Ernstorfer, Ralph

    2015-01-01

    We present the design and implementation of a highly compact femtosecond electron diffractometer working at electron energies up to 100 keV. We use a multi-body particle tracing code to simulate electron bunch propagation through the setup and to calculate pulse durations at the sample position. Our simulations show that electron bunches containing few thousands of electrons per bunch are only weakly broadened by space-charge effects and their pulse duration is thus close to the one of a single-electron wavepacket. With our compact setup, we can create electron bunches containing up to 5000 electrons with a pulse duration below 100 fs on the sample. We use the diffractometer to track the energy transfer from photoexcited electrons to the lattice in a thin film of titanium. This process takes place on the timescale of few-hundred femtoseconds and a fully equilibrated state is reached within 1 ps

  8. Evaluating Electronic Reference Services: Issues, Approaches and Criteria.

    Novotny, Eric

    2001-01-01

    Discussion of electronic library reference services focuses on an overview of the chief methodologies available for conducting assessments of electronic services. Highlights include quantitative measures and benchmarks, including equity and access; quality measures; behavioral aspects of quality, including librarian-patron interaction; and future…

  9. Electron correlations in narrow energy bands: modified polar model approach

    L. Didukh

    2008-09-01

    Full Text Available The electron correlations in narrow energy bands are examined within the framework of the modified form of polar model. This model permits to analyze the effect of strong Coulomb correlation, inter-atomic exchange and correlated hopping of electrons and explain some peculiarities of the properties of narrow-band materials, namely the metal-insulator transition with an increase of temperature, nonlinear concentration dependence of Curie temperature and peculiarities of transport properties of electronic subsystem. Using a variant of generalized Hartree-Fock approximation, the single-electron Green's function and quasi-particle energy spectrum of the model are calculated. Metal-insulator transition with the change of temperature is investigated in a system with correlated hopping. Processes of ferromagnetic ordering stabilization in the system with various forms of electronic DOS are studied. The static conductivity and effective spin-dependent masses of current carriers are calculated as a function of electron concentration at various DOS forms. The correlated hopping is shown to cause the electron-hole asymmetry of transport and ferromagnetic properties of narrow band materials.

  10. Data-driven approach for creating synthetic electronic medical records

    Moniz Linda

    2010-10-01

    Full Text Available Abstract Background New algorithms for disease outbreak detection are being developed to take advantage of full electronic medical records (EMRs that contain a wealth of patient information. However, due to privacy concerns, even anonymized EMRs cannot be shared among researchers, resulting in great difficulty in comparing the effectiveness of these algorithms. To bridge the gap between novel bio-surveillance algorithms operating on full EMRs and the lack of non-identifiable EMR data, a method for generating complete and synthetic EMRs was developed. Methods This paper describes a novel methodology for generating complete synthetic EMRs both for an outbreak illness of interest (tularemia and for background records. The method developed has three major steps: 1 synthetic patient identity and basic information generation; 2 identification of care patterns that the synthetic patients would receive based on the information present in real EMR data for similar health problems; 3 adaptation of these care patterns to the synthetic patient population. Results We generated EMRs, including visit records, clinical activity, laboratory orders/results and radiology orders/results for 203 synthetic tularemia outbreak patients. Validation of the records by a medical expert revealed problems in 19% of the records; these were subsequently corrected. We also generated background EMRs for over 3000 patients in the 4-11 yr age group. Validation of those records by a medical expert revealed problems in fewer than 3% of these background patient EMRs and the errors were subsequently rectified. Conclusions A data-driven method was developed for generating fully synthetic EMRs. The method is general and can be applied to any data set that has similar data elements (such as laboratory and radiology orders and results, clinical activity, prescription orders. The pilot synthetic outbreak records were for tularemia but our approach may be adapted to other infectious

  11. Linear algebraic approach to electron-molecule collisions

    Schneider, B.I.; Collins, L.A.

    1983-01-01

    The various levels of sophistication of the linear algebraic method are discussed and its application to electron-molecule collisions of H 2 , N 2 LiH, LiF and HCl is described. 13 references, 2 tables

  12. Electronic Publishing Approaches to Curriculum: Videotex, Teletext and Databases.

    Aumente, Jerome

    1986-01-01

    Describes the Journalism Resources Institute (JRI) of Rutgers University in terms of its administrative organization, computer resources, computer facilities use, involvement in electronic publishing, use of the Dow Jones News/Retrieval Database, curricular options, and professional continuing education. (AYC)

  13. Weed seed inactivation in soil mesocosms via biosolarization with mature compost and tomato processing waste amendments.

    Achmon, Yigal; Fernández-Bayo, Jesús D; Hernandez, Katie; McCurry, Dlinka G; Harrold, Duff R; Su, Joey; Dahlquist-Willard, Ruth M; Stapleton, James J; VanderGheynst, Jean S; Simmons, Christopher W

    2017-05-01

    Biosolarization is a fumigation alternative that combines passive solar heating with amendment-driven soil microbial activity to temporarily create antagonistic soil conditions, such as elevated temperature and acidity, that can inactivate weed seeds and other pest propagules. The aim of this study was to use a mesocosm-based field trial to assess soil heating, pH, volatile fatty acid accumulation and weed seed inactivation during biosolarization. Biosolarization for 8 days using 2% mature green waste compost and 2 or 5% tomato processing residues in the soil resulted in accumulation of volatile fatty acids in the soil, particularly acetic acid, and >95% inactivation of Brassica nigra and Solanum nigrum seeds. Inactivation kinetics data showed that near complete weed seed inactivation in soil was achieved within the first 5 days of biosolarization. This was significantly greater than the inactivation achieved in control soils that were solar heated without amendment or were amended but not solar heated. The composition and concentration of organic matter amendments in soil significantly affected volatile fatty acid accumulation at various soil depths during biosolarization. Combining solar heating with organic matter amendment resulted in accelerated weed seed inactivation compared with either approach alone. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

  14. Uranium fate in wetland mesocosms: Effects of plants at two ...

    Small-scale continuous flow wetland mesocosms (~0.8 L) were used to evaluate how plant roots under different iron loadings affect uranium (U) mobility. When significant concentrations of ferrous iron (Fe) were present at circumneutral pH values, U concentrations in root exposed sediments were an order of magnitude greater than concentrations in root excluded sediments. Micro X-ray absorption near-edge structure (µ-XANES) spectroscopy indicated that U was associated with the plant roots primarily as U(VI) or U(V), with limited evidence of U(IV). Micro X-ray fluorescence (µ-XRF) of plant roots suggested that for high iron loading at circumneutral pH, U was co-located with Fe, perhaps co-precipitated with root Fe plaques, while for low iron loading at a pH of ~4 the correlation between U and Fe was not significant, consistent with previous observations of U associated with organic matter. Quantitative PCR analyses indicated that the root exposed sediments also contained elevated numbers of Geobacter spp., which are likely associated with enhanced iron cycling, but may also reduce mobile U(VI) to less mobile U(IV) species. There are significant uncertainties regarding the environmental fate of uranium (U) and efforts to minimize U exposures require understanding of its mobility in environmental systems. Much research has focused on sequestering U as solids within groundwater aquifers, where localized risks can be controlled.1 Subsurface sequestration limits t

  15. Conservation of eelgrass (Zostera marina genetic diversity in a mesocosm-based restoration experiment.

    Brian S Ort

    Full Text Available Eelgrass (Zostera marina forms the foundation of an important shallow coastal community in protected estuaries and bays. Widespread population declines have stimulated restoration efforts, but these have often overlooked the importance of maintaining the evolutionary potential of restored populations by minimizing the reduction in genetic diversity that typically accompanies restoration. In an experiment simulating a small-scale restoration, we tested the effectiveness of a buoy-deployed seeding technique to maintain genetic diversity comparable to the seed source populations. Seeds from three extant source populations in San Francisco Bay were introduced into eighteen flow-through baywater mesocosms. Following seedling establishment, we used seven polymorphic microsatellite loci to compare genetic diversity indices from 128 shoots to those found in the source populations. Importantly, allelic richness and expected heterozygosity were not significantly reduced in the mesocosms, which also preserved the strong population differentiation present among source populations. However, the inbreeding coefficient F IS was elevated in two of the three sets of mesocosms when they were grouped according to their source population. This is probably a Wahlund effect from confining all half-siblings within each spathe to a single mesocosm, elevating F IS when the mesocosms were considered together. The conservation of most alleles and preservation of expected heterozygosity suggests that this seeding technique is an improvement over whole-shoot transplantation in the conservation of genetic diversity in eelgrass restoration efforts.

  16. Conservation of eelgrass (Zostera marina) genetic diversity in a mesocosm-based restoration experiment.

    Ort, Brian S; Cohen, C Sarah; Boyer, Katharyn E; Reynolds, Laura K; Tam, Sheh May; Wyllie-Echeverria, Sandy

    2014-01-01

    Eelgrass (Zostera marina) forms the foundation of an important shallow coastal community in protected estuaries and bays. Widespread population declines have stimulated restoration efforts, but these have often overlooked the importance of maintaining the evolutionary potential of restored populations by minimizing the reduction in genetic diversity that typically accompanies restoration. In an experiment simulating a small-scale restoration, we tested the effectiveness of a buoy-deployed seeding technique to maintain genetic diversity comparable to the seed source populations. Seeds from three extant source populations in San Francisco Bay were introduced into eighteen flow-through baywater mesocosms. Following seedling establishment, we used seven polymorphic microsatellite loci to compare genetic diversity indices from 128 shoots to those found in the source populations. Importantly, allelic richness and expected heterozygosity were not significantly reduced in the mesocosms, which also preserved the strong population differentiation present among source populations. However, the inbreeding coefficient F IS was elevated in two of the three sets of mesocosms when they were grouped according to their source population. This is probably a Wahlund effect from confining all half-siblings within each spathe to a single mesocosm, elevating F IS when the mesocosms were considered together. The conservation of most alleles and preservation of expected heterozygosity suggests that this seeding technique is an improvement over whole-shoot transplantation in the conservation of genetic diversity in eelgrass restoration efforts.

  17. Nonextensive statistical mechanics approach to electron trapping in degenerate plasmas

    Mebrouk, Khireddine; Gougam, Leila Ait; Tribeche, Mouloud

    2016-06-01

    The electron trapping in a weakly nondegenerate plasma is reformulated and re-examined by incorporating the nonextensive entropy prescription. Using the q-deformed Fermi-Dirac distribution function including the quantum as well as the nonextensive statistical effects, we derive a new generalized electron density with a new contribution proportional to the electron temperature T, which may dominate the usual thermal correction (∼T2) at very low temperatures. To make the physics behind the effect of this new contribution more transparent, we analyze the modifications arising in the propagation of ion-acoustic solitary waves. Interestingly, we find that due to the nonextensive correction, our plasma model allows the possibility of existence of quantum ion-acoustic solitons with velocity higher than the Fermi ion-sound velocity. Moreover, as the nonextensive parameter q increases, the critical temperature Tc beyond which coexistence of compressive and rarefactive solitons sets in, is shifted towards higher values.

  18. Two-particle approach to the electronic structure of solids

    Gonis, A.

    2007-01-01

    Based on an extension of Hubbard's treatment of the electronic structure of correlated electrons in matter we propose a methodology that incorporates the scattering off the Coulomb interaction through the determination of a two-particle propagator. The Green function equations of motion are then used to obtain single-particle Green functions and related properties such as densities of states. The solutions of the equations of motion in two- and single-particle spaces are accomplished through applications of the coherent potential approximation. The formalism is illustrated by means of calculations for a single-band model system representing a linear arrangement of sites with nearest neighbor hopping and an one-site repulsion when two electrons of opposite spin occupy the same site in the lattice in the manner described by the so-called Hubbard Hamiltonian

  19. A laser printing based approach for printed electronics

    Zhang, T.; Hu, M.; Guo, Q.; Zhang, W.; Yang, J., E-mail: jyang@eng.uwo.ca [Department of Mechanical and Materials Engineering, Western University, London N6A 3K7 (Canada); Liu, Y.; Lau, W. [Chengdu Green Energy and Green Manufacturing Technology R& D Center, 355 Tengfei Road, 620107 Chengdu (China); Wang, X. [Department of Mechanical and Materials Engineering, Western University, London N6A 3K7 (Canada); Lanzhou Institute of Chemical Physics, Chinese Academy of Sciences, Lanzhou 730000 (China)

    2016-03-07

    Here we report a study of printing of electronics using an office use laser printer. The proposed method eliminates those critical disadvantages of solvent-based printing techniques by taking the advantages of electroless deposition and laser printing. The synthesized toner acts as a catalyst for the electroless copper deposition as well as an adhesion-promoting buffer layer between the substrate and deposited copper. The easy metallization of printed patterns and strong metal-substrate adhesion make it an especially effective method for massive production of flexible printed circuits. The proposed process is a high throughput, low cost, efficient, and environmentally benign method for flexible electronics manufacturing.

  20. A laser printing based approach for printed electronics

    Zhang, T.; Hu, M.; Guo, Q.; Zhang, W.; Yang, J.; Liu, Y.; Lau, W.; Wang, X.

    2016-01-01

    Here we report a study of printing of electronics using an office use laser printer. The proposed method eliminates those critical disadvantages of solvent-based printing techniques by taking the advantages of electroless deposition and laser printing. The synthesized toner acts as a catalyst for the electroless copper deposition as well as an adhesion-promoting buffer layer between the substrate and deposited copper. The easy metallization of printed patterns and strong metal-substrate adhesion make it an especially effective method for massive production of flexible printed circuits. The proposed process is a high throughput, low cost, efficient, and environmentally benign method for flexible electronics manufacturing.

  1. Inverse Problem Approach for the Alignment of Electron Tomographic Series.

    Tran , Viet Dung; Moreaud , Maxime; Thiébaut , Éric; Denis , L.; Becker , Jean-Marie

    2014-01-01

    In the refining industry, morphological measurements of particles have become an essential part in the characterization catalyst supports. Through these parameters, one can infer the specific physicochemical properties of the studied materials. One of the main acquisition techniques is electron tomography (or nanotomography). 3D volumes are reconstructed from sets of projections from different angles made by a Transmission Elect...

  2. Preservation of Electronic Scholarly Publishing: An Analysis of Three Approaches

    Honey, Sadie L.

    2005-01-01

    Scholars publish in journals to preserve their work and to make sure that it is available for current and future researchers. More and more of this publishing is done in electronic format. Libraries, the institutions that have traditionally overseen the preservation of print publications, are now struggling with the preservation of digital…

  3. The highly reintegrative approach of electronic monitoring in the Netherlands

    Boone, M.M.; Kooij, van der M.; Rap, S.E.

    2017-01-01

    This contribution describes the way electronic monitoring (EM) is organized and implemented in the Netherlands. It will become clear that the situation in the Netherlands is characterized by, in particular, two features. The application of EM is highly interwoven with the Probation Service and its

  4. Electron momentum density and Compton profile by a semi-empirical approach

    Aguiar, Julio C.; Mitnik, Darío; Di Rocco, Héctor O.

    2015-08-01

    Here we propose a semi-empirical approach to describe with good accuracy the electron momentum densities and Compton profiles for a wide range of pure crystalline metals. In the present approach, we use an experimental Compton profile to fit an analytical expression for the momentum densities of the valence electrons. This expression is similar to a Fermi-Dirac distribution function with two parameters, one of which coincides with the ground state kinetic energy of the free-electron gas and the other resembles the electron-electron interaction energy. In the proposed scheme conduction electrons are neither completely free nor completely bound to the atomic nucleus. This procedure allows us to include correlation effects. We tested the approach for all metals with Z=3-50 and showed the results for three representative elements: Li, Be and Al from high-resolution experiments.

  5. Chemical properties and morphology of Marine Aerosol in the Mediterranean atmosphere: a mesocosm study

    D'Anna, Barbara; Sellegri, Karine; Charrière, Bruno; Sempéré, Richard; Mas, Sébastien; Marchand, Nicolas; George, Christian; Même, Aurèlie; R'mili, Badr; Delmont, Anne; Schwier, Allison; Rose, Clémence; Colomb, Aurèlie; Pey, Jorge; Langley Dewitt, Helen

    2014-05-01

    The Mediterranean Sea is a special marine environment characterized by low biological activity and high anthropogenic pressure. It is often difficult to discriminate the contribution of Primary Sea Salt Aerosol formed at the sea surface from background level of the aerosol. An alternative tool to study the sea-air exchanges in a controlled environment is provided by the mesocosms, which represent an important link between field studies and laboratory experiments. The sea-air transfer of particles and gases was investigated in relation to water chemical composition and biological activity during a mesocosm experiment within the SAM project (Sources of marine Aerosol in the Mediterranean) at the Oceanographic and Marine Station STARESO in Western Corsica (May 2013). Three 2 m mesocosms were filled with screened (sensors and received different treatments: one was left unchanged as control and two were enriched by addition of nitrates and phosphates respecting Redfield ratio (N:P = 16). The evolution of the three systems was followed for 20 days. The set of sensors in each mesocosm was allowed to monitor, at high frequency (every 10 min), the water temperature, conductivity, pH, incident light, fluorescence of chlorophyll a and dissolved oxygen concentration. The mesocosm seawaters were daily sampled for chemical (colored dissolved organic matter, particulate matter and related polar compounds, transparent polysaccharides and nutrients concentration) and biological (chlorophyll a, virus, phytoplankton and zooplankton) analyses. Both dissolved and gaseous VOCs were also analyzed. In addition, few liters of seawater from each mesocosm were daily and immediately collected and transferred to a bubble-bursting apparatus to simulate nascent sea spray aerosol. On-line chemical analysis of the sub-micrometer fraction was performed by a TOF-AMS (Aerodyne). Off-line analysis included TEM-EDX for morphology and size distribution studies and a hybrid quadrupole-orbitrap mass

  6. Fish-mediated changes in bacterioplankton community composition: an in situ mesocosm experiment

    Luo, Congqiang; Yi, Chunlong; Ni, Leyi; Guo, Longgen

    2017-06-01

    We characterized variations in bacterioplankton community composition (BCC) in mesocosms subject to three different treatments. Two groups contained fish (group one: Cyprinus carpio; group two: Hypophthalmichthys molitrix); and group three, the untreated mesocosm, was the control. Samples were taken seven times over a 49-day period, and BCC was analyzed by PCR-denaturing gradient gel electrophoresis (DGGE) and real-time quantitative PCR (qPCR). Results revealed that introduction of C. carpio and H. molitrix had a remarkable impact on the composition of bacterioplankton communities, and the BCC was significantly different between each treatment. Sequencing of DGGE bands revealed that the bacterioplankton community in the different treatment groups was consistent at a taxonomic level, but differed in its abundance. H. molitrix promoted the richness of Alphaproteobacteria and Actinobacteria, while more bands affiliated to Cyanobacteria were detected inC. carpio mesocosms. The redundancy analysis (RDA) result demonstrated that the BCC was closely related to the bottom-up (total phosphorus, chlorophyll a, phytoplankton biomass) and top-down forces (biomass of copepods and cladocera) in C. carpio and control mesocosms, respectively. We found no evidence for top-down regulation of BCC by zooplankton in H. molitrix mesocosms, while grazing by protozoa (heterotrophic nanoflagellates, ciliates) became the major way to regulate BCC. Total bacterioplankton abundances were significantly higher in C. carpio mesocosms because of high nutrient concentration and suspended solids. Our study provided insights into the relationship between fish and bacterioplankton at species level, leading to a deep understanding of the function of the microbial loop and the aquatic ecosystem.

  7. Fish-mediated changes in bacterioplankton community composition: an in situ mesocosm experiment

    Luo, Congqiang; Yi, Chunlong; Ni, Leyi; Guo, Longgen

    2018-03-01

    We characterized variations in bacterioplankton community composition (BCC) in mesocosms subject to three different treatments. Two groups contained fish (group one: Cyprinus carpio; group two: Hypophthalmichthys molitrix); and group three, the untreated mesocosm, was the control. Samples were taken seven times over a 49-d period, and BCC was analyzed by PCR-denaturing gradient gel electrophoresis (DGGE) and real-time quantitative PCR (qPCR). Results revealed that introduction of C. carpio and H. molitrix had a remarkable impact on the composition of bacterioplankton communities, and the BCC was significantly different between each treatment. Sequencing of DGGE bands revealed that the bacterioplankton community in the different treatment groups was consistent at a taxonomic level, but differed in its abundance. H. molitrix promoted the richness of Alphaproteobacteria and Actinobacteria, while more bands affiliated to Cyanobacteria were detected in C. carpio mesocosms. The redundancy analysis (RDA) result demonstrated that the BCC was closely related to the bottom-up (total phosphorus, chlorophyll a, phytoplankton biomass) and top-down forces (biomass of copepods and cladocera) in C. carpio and control mesocosms, respectively. We found no evidence for top-down regulation of BCC by zooplankton in H. molitrix mesocosms, while grazing by protozoa (heterotrophic nanoflagellates, ciliates) became the major way to regulate BCC. Total bacterioplankton abundances were significantly higher in C. carpio mesocosms because of high nutrient concentration and suspended solids. Our study provided insights into the relationship between fish and bacterioplankton at species level, leading to a deep understanding of the function of the microbial loop and the aquatic ecosystem.

  8. Linear-algebraic approach to electronic excitation of atoms and molecules by electron impact

    Collins, L.A.; Schneider, B.I.

    1983-01-01

    A linear-algebraic method, based on an integral equations formulation, is applied to the excitation of atoms and molecules by electron impact. Various schemes are devised for treating the one-electron terms that sometimes cause instabilities when directly incorporated into the solution matrix. These include introducing Lagrange undetermined multipliers and correlation terms. Good agreement between the method and other computational techniques is obtained for electron scattering for hydrogenic and Li-like atomic ions and for H 2 + in two- to five-state close-coupling calculations

  9. Heating electrons with ion irradiation: A first-principles approach

    Pruneda, J.M.; Sanchez-Portal, D.; Arnau, A.; Juaristi, J.I.; Artacho, E.

    2009-01-01

    Using time-dependent density functional theory we calculate from first-principles the rate of energy transfer from a moving charged particle to the electrons in an insulating material. The behavior of the electronic stopping power in LiF (a wide band gap insulator) versus projectile velocity displays an effective threshold velocity of 8.2 Bohr/asec for the proton, consistent with recent experimental observations. The calculated proton/antiproton stopping power ratio is 2.4 at velocities slightly above the threshold (16.5 Bohr/asec) as compared to the experimental value of 2.1. The approximations introduced in this new non-perturbative methodology are discussed, and results on the velocity dependence of the stopping power, the locality of the energy transfer, and other characteristics of the host material are presented.

  10. French Electronic Theses and Dissertations in Europe : A Scientometric Approach

    Prost , Hélène; Buirette , Amélie; Berbache , Rachid; Halipré , Aurélie

    2016-01-01

    International audience; Problem/goalThe poster presents an empirical overview on French electronic theses and dissertations, in particular with regards to the place of France in Europe, to their geographical and disciplinary distribution, to their representativity and to their openness.Research method/procedureThe study includes a scientometrcic analysis of the DART-Europe e-theses portal and of the French Theses.fr portal. It will also draw on other data from the French academic union catalo...

  11. Nucleons, mesons and quarks: the electron scattering approach

    Frois, B.

    1985-05-01

    A few examples of the research carried out by electron scattering in order to elucidate the relevant degrees of freedom for nuclear physics. Is considered first quasielastic scattering from 3 He which gives some insight into the properties of the nucleon in the nuclear medium. Then examples of meson exchange currents are presented. Finally, the present status of our understanding of shorter range effects is discussed

  12. The effect of floating vegetation on denitrification and greenhouse gas production in wetland mesocosms

    Jacobs, A. E.; Harrison, J. A.

    2012-12-01

    Anthropogenic intensification of nitrogen (N) loading to aquatic ecosystems is widespread and can lead to the degradation of these systems. Wetlands are important sites for N removal via denitrification, the microbially mediated reduction of reactive nitrate to inert N2 gas, but they can also produce high levels of greenhouse gases. Floating plants play an important role in encouraging denitrification, since they create low oxygen conditions that may favor denitrification. We investigated whether wetland sediments with floating plant cover had higher denitrification and greenhouse gas production rates than wetland sediments without floating plants. Replicate flow-through mesocosms with wetland sediment and water were constructed in a growth chamber to mimic the wetland where the sediment and water were collected. Mesocosm treatments were covered with floating vegetation (duckweed), an opaque tarp, or no cover to determine how cover type affects denitrification and greenhouse gas production and whether biotic or abiotic factors are likely responsible for observed differences. Denitrification and greenhouse gas production rates were calculated by measuring excess N2 gas, methane, and nitrous oxide concentrations in the water column and measuring the gas exchange rates between the water column and the atmosphere. Gas exchange rates were measured using an inert volatile tracer added to the water column and accumulation of gas in the mesocosm headspace. Additional mesocosm experiments were performed to determine how duckweed-dominated wetland systems respond to nitrogen loading and which mechanism for lowering dissolved oxygen concentrations is important in affecting denitrification under floating vegetation. Mesocosms with floating vegetation had lower dissolved oxygen than no cover or tarp-covered mesocosms, which is consistent with field and literature observations. Water flowing out of the mesocosms had statistically lower total nitrogen and nitrate concentrations

  13. The influence of cockchafer larvae on net soil methane fluxes under different vegetation types - a mesocosm study

    Görres, Carolyn-Monika; Kammann, Claudia; Chesmore, David; Müller, Christoph

    2017-04-01

    The influence of land-use associated pest insects on net soil CH4 fluxes has received little attention thus far, although e.g. soil-dwelling Scarabaeidae larvae are qualitatively known to emit CH4. The project "CH4ScarabDetect" aims to provide the first quantitative estimate of the importance of soil-dwelling larvae of two important European agricultural and forest pest insect species - the common cockchafer (Melolontha melolontha) and the forest cockchafer (M. hippocastani) - for net soil CH4 fluxes. Here we present a mesocosm study within "CH4ScarabDetect" which tests the influence of different abundances of common cockchafer larvae on net soil CH4 fluxes under different vegetation types. In August 2016, 27 PVC boxes with a base area of 50 cm x 50 cm and a height of 40 cm were buried in planting beds previously used for cultivating vegetables. The bottom of each box was filled with a 10 cm thick layer of loam which was then covered with a 25 cm thick layer of loamy sand. The soil was hand-sieved prior to filling the boxes to remove any macrofauna. The mesocosms were planted with either turf, carrots or a combination of both. Of the resulting nine replicates per vegetation type, six were infested with one cockchafer larvae each in November 2016. In three of these infested mesocosms, the larvae abundance will be further increased to three in May 2017. This mesocosm study will continue until October 2017 during which measurements of net soil CH4 fluxes will be conducted with the chamber flux method twice per month. For the in situ separation of gross CH4 production and gross CH4 oxidation, the chamber method will be combined with a 13CH4 isotope pool dilution technique. Methane concentrations and their isotopic signatures in the collected gas samples will be analysed with a state-of-the-art CRDS analyzer (cavity ring-down spectroscopy, G2201-i) equipped with the Small Sample Isotope Module 2 - A0314 (Picarro Inc., USA). Different combinations of larvae abundance and

  14. A first approach to runaway electron control in FTU

    Boncagni, L.; Carnevale, D.; Cianfarani, C.; Esposito, B.; Granucci, G.; Maddaluno, G.; Marocco, D.; Martin-Solis, J.R.; Pucella, G.; Sozzi, C.; Varano, G.; Vitale, V.; Zaccarian, L.

    2013-01-01

    The Plasma Control System (PCS) of the Frascati Tokamak Upgrade (FTU) is not equipped with any runaway electron (RE) beam control or suppression tool. In this paper we propose an upgraded PCS including an architecture for the control of disruption-generated REs that, making use of filtering techniques to estimate the onsets of the current quench (CQ) and of the RE beam current plateau, provides a controlled plasma current shut-down and a simultaneous RE position control. The control strategy is based on a nonlinear technique, called Input Allocation, that allows to re-configure the current in the poloidal field (PF) coils and improve the PCS responsiveness needed for RE position control. Preliminary results on the implementation of the Input Allocation and an experimental proposal to test the control scheme architecture are discussed

  15. A first approach to runaway electron control in FTU

    Boncagni, L. [Associazione Euratom/ENEA sulla Fusione, Centro Ricerche Frascati, CP 65, 00044 Frascati, Roma (Italy); Carnevale, D., E-mail: carnevaledaniele@gmail.com [Dipartimento Ing. Civile ed Ing. Informatica Università di Roma, Tor Vergata, Via del Politecnico 1, 00133 Roma (Italy); Cianfarani, C.; Esposito, B. [Associazione Euratom/ENEA sulla Fusione, Centro Ricerche Frascati, CP 65, 00044 Frascati, Roma (Italy); Granucci, G. [Associazione Euratom-CNR sulla Fusione, IFP-CNR, Via R. Cozzi 53, 20125 Milano (Italy); Maddaluno, G.; Marocco, D. [Associazione Euratom/ENEA sulla Fusione, Centro Ricerche Frascati, CP 65, 00044 Frascati, Roma (Italy); Martin-Solis, J.R. [Universidad Carlos III de Madrid, Avda. de la Universidad 30, 28911 Leganes-Madrid (Spain); Pucella, G. [Associazione Euratom/ENEA sulla Fusione, Centro Ricerche Frascati, CP 65, 00044 Frascati, Roma (Italy); Sozzi, C. [Associazione Euratom-CNR sulla Fusione, IFP-CNR, Via R. Cozzi 53, 20125 Milano (Italy); Varano, G. [Dipartimento Ing. Civile ed Ing. Informatica Università di Roma, Tor Vergata, Via del Politecnico 1, 00133 Roma (Italy); Vitale, V. [Associazione Euratom/ENEA sulla Fusione, Centro Ricerche Frascati, CP 65, 00044 Frascati, Roma (Italy); Zaccarian, L. [CNRS, LAAS, 7 av. du colonel Roche, F-31400 Toulouse (France); Univ. de Toulouse, LAAS, F-31400 Toulouse (France)

    2013-10-15

    The Plasma Control System (PCS) of the Frascati Tokamak Upgrade (FTU) is not equipped with any runaway electron (RE) beam control or suppression tool. In this paper we propose an upgraded PCS including an architecture for the control of disruption-generated REs that, making use of filtering techniques to estimate the onsets of the current quench (CQ) and of the RE beam current plateau, provides a controlled plasma current shut-down and a simultaneous RE position control. The control strategy is based on a nonlinear technique, called Input Allocation, that allows to re-configure the current in the poloidal field (PF) coils and improve the PCS responsiveness needed for RE position control. Preliminary results on the implementation of the Input Allocation and an experimental proposal to test the control scheme architecture are discussed.

  16. Method for secure electronic voting system: face recognition based approach

    Alim, M. Affan; Baig, Misbah M.; Mehboob, Shahzain; Naseem, Imran

    2017-06-01

    In this paper, we propose a framework for low cost secure electronic voting system based on face recognition. Essentially Local Binary Pattern (LBP) is used for face feature characterization in texture format followed by chi-square distribution is used for image classification. Two parallel systems are developed based on smart phone and web applications for face learning and verification modules. The proposed system has two tire security levels by using person ID followed by face verification. Essentially class specific threshold is associated for controlling the security level of face verification. Our system is evaluated three standard databases and one real home based database and achieve the satisfactory recognition accuracies. Consequently our propose system provides secure, hassle free voting system and less intrusive compare with other biometrics.

  17. New Computational Approach to Electron Transport in Irregular Graphene Nanostructures

    Mason, Douglas; Heller, Eric; Prendergast, David; Neaton, Jeffrey

    2009-03-01

    For novel graphene devices of nanoscale-to-macroscopic scale, many aspects of their transport properties are not easily understood due to difficulties in fabricating devices with regular edges. Here we develop a framework to efficiently calculate and potentially screen electronic transport properties of arbitrary nanoscale graphene device structures. A generalization of the established recursive Green's function method is presented, providing access to arbitrary device and lead geometries with substantial computer-time savings. Using single-orbital nearest-neighbor tight-binding models and the Green's function-Landauer scattering formalism, we will explore the transmission function of irregular two-dimensional graphene-based nanostructures with arbitrary lead orientation. Prepared by LBNL under contract DE-AC02-05CH11231 and supported by the U.S. Dept. of Energy Computer Science Graduate Fellowship under grant DE-FG02-97ER25308.

  18. Novel approaches to study low-energy electron-induced damage to DNA oligonucleotides

    Rackwitz, Jenny; Bald, Ilko; Ranković, Miloš Lj; Milosavljević, Aleksandar R

    2015-01-01

    The novel approach of DNA origami structures as templates for precise quantification of various well- defined oligonucleotides provides the opportunity to determine the sensitivity of complex DNA sequences towards low-energy electrons. (paper)

  19. Electronic Structure Approach to Tunable Electronic Properties of Hybrid Organic-Inorganic Perovskites

    Liu, Garnett; Huhn, William; Mitzi, David B.; Kanai, Yosuke; Blum, Volker

    We present a study of the electronic structure of layered hybrid organic-inorganic perovskite (HOIP) materials using all-electron density-functional theory. Varying the nature of the organic and inorganic layers should enable systematically fine-tuning the carrier properties of each component. Using the HSE06 hybrid density functional including spin-orbit coupling (SOC), we validate the principle of tuning subsystem-specific parts of the electron band structures and densities of states in CH3NH3PbX3 (X=Cl, Br, I) compared to a modified organic component in layered (C6H5C2H4NH3) 2PbX4 (X=Cl, Br, I) and C20H22S4N2PbX4 (X=Cl, Br, I). We show that tunable shifts of electronic levels indeed arise by varying Cl, Br, I as the inorganic components, and CH3NH3+ , C6H5C2H4NH3+ , C20H22S4N22 + as the organic components. SOC is found to play an important role in splitting the conduction bands of the HOIP compounds investigated here. The frontier orbitals of the halide shift, increasing the gap, when Cl is substituted for Br and I.

  20. Electronic structure of a striped nickelate studied by the exact exchange for correlated electrons (EECE) approach

    Schwingenschlö gl, Udo; Schuster, Cosima B.; Fré sard, Raymond

    2009-01-01

    Motivated by a RIXS study of Wakimoto, et al.(Phys. Rev. Lett., 102 (2009) 157001) we use density functional theory to analyze the magnetic order in the nickelate La5/3Sr1/3NiO4 and the details of its crystal and electronic structure. We compare

  1. Alternate approaches to future electron-positron linear colliders

    Loew, G.A. [Stanford Univ., CA (United States). Stanford Linear Accelerator Center

    1998-07-01

    The purpose of this article is two-fold: to review the current international status of various design approaches to the next generation of e{sup +}e{sup {minus}} linear colliders, and on the occasion of his 80th birthday, to celebrate Richard B. Neal`s many contributions to the field of linear accelerators. As it turns out, combining these two tasks is a rather natural enterprise because of Neal`s long professional involvement and insight into many of the problems and options which the international e{sup +}e{sup {minus}} linear collider community is currently studying to achieve a practical design for a future machine.

  2. Alternate approaches to future electron-positron linear colliders

    Loew, G.A.

    1998-01-01

    The purpose of this article is two-fold: to review the current international status of various design approaches to the next generation of e + e - linear colliders, and on the occasion of his 80th birthday, to celebrate Richard B. Neal's many contributions to the field of linear accelerators. As it turns out, combining these two tasks is a rather natural enterprise because of Neal's long professional involvement and insight into many of the problems and options which the international e + e - linear collider community is currently studying to achieve a practical design for a future machine

  3. Uranium Redistribution Due to Water Table Fluctuations in Sandy Wetland Mesocosms

    To understand better the fate and stability of immobilized uranium (U) in wetland sediments, and how intermittent dry periods affect U stability, we dosed saturated wetland mesocosms planted with Scirpus acutus with low levels of uranyl acetate for 4 months before imposing...

  4. Ecological impact in ditch mesocosms of simulated spray drift from a crop protection program for potatoes

    Arts, G.H.P.; Buijse-Bogdan, L.L.; Belgers, J.D.M.; Rhenen-Kersten, van C.H.; Wijngaarden, van R.P.A.; Roessink, I.; Maund, S.J.; Brink, van den P.J.; Brock, T.C.M.

    2006-01-01

    Outdoor aquatic ditch mesocosms were treated with a range of pesticides to simulate various spray drift rates resulting from a typical crop protection program used in the cultivation of potatoes in The Netherlands. The main experimental aims of the present study were to provide information on the

  5. Role of soil texture, clay mineralogy, location, and temperature in coarse wood decomposition - a mesocosm experiment

    Cinzia Fissore; Martin F. Jurgensen; James Pickens; Chris Miller; Deborah Page-Dumroese; Christian P. Giardina

    2016-01-01

    Of all the major pools of terrestrial carbon (C), the dynamics of coarse woody debris (CWD) are the least understood. In contrast to soils and living vegetation, the study of CWD has rarely relied on ex situ methods for elaborating controls on decomposition rates. In this study, we report on a mesocosm incubation experiment examining how clay amount (8%, 16%,...

  6. Stream mesocosm response sensitivities to simulated ion stress in produced waters from resource extraction activities

    To increase the ecological relevance of laboratory exposures intent on determining species sensitivity to ion stress from resource extraction activities we have conducted several stream mesocosm dosing studies that pair single-species and community-level responses in-situ and all...

  7. Effects of ocean acidification on pelagic carbon fluxes in a mesocosm experiment

    Spilling, K.; Schulz, K.G.; Paul, A.J.; Boxhammer, T.; Achterberg, E.P.; Hornick, T.; Lischka, S.; Stuhr, A.; Bermúdez, R.; Czerny, J.; Crawfurd, K.; Brussaard, C.P.D.; Grossart, H.-P.; Riebesell, U.

    2016-01-01

    About a quarter of anthropogenic CO2 emissions are currently taken up by the oceans, decreasing seawater pH. We performed a mesocosm experiment in the Baltic Sea in order to investigate the consequences of increasing CO2 levels on pelagic carbon fluxes. A gradient of different CO2 scenarios, ranging

  8. Characterisation of the effect of a simulated hydrocarbon spill on diazotrophs in mangrove sediment mesocosm

    Taketani, R.G.; dos Santos, H.F.; van Elsas, J.D.; Rosado, A.S.

    2009-01-01

    An analysis of the effect of an oil spill on mangrove sediments was carried out by contamination of mesocosms derived from two different mangroves, one with a history of contamination and one pristine. The association between N(2) fixers and hydrocarbon degradation was assessed using quantitative

  9. Nicotine and Cotinine Exposure from Electronic Cigarettes: A Population Approach

    de Mendizábal, Nieves Vélez; Jones, David R.; Jahn, Andy; Bies, Robert R.; Brown, Joshua W.

    2015-01-01

    Background and Objectives Electronic cigarettes (e-cigarettes) are a recent technology that has gained rapid acceptance. Still, little is known about them in terms of safety and effectiveness. A basic question is how effectively they deliver nicotine, however the literature is surprisingly unclear on this point. Here, a population pharmacokinetic (PK) model was developed for nicotine and its major metabolite cotinine with the aim to provide a reliable framework for the simulation of nicotine and cotinine concentrations over time, based solely on inhalation airflow recordings and individual covariates (i.e. weight and breath carbon monoxide CO levels). Methods This study included 10 adults self-identified as heavy smokers (at least one pack per day). Plasma nicotine and cotinine concentrations were measured at regular 10-minute intervals for 90 minutes while human subjects inhaled nicotine vapor from a modified e-cigarette. Airflow measurements were recorded every 200 milliseconds throughout the session. A population PK model for nicotine and cotinine was developed based on previously published PK parameters and the airflow recordings. All the analyses were performed with the nonlinear mixed-effect modelling software NONMEM 7.2. Results The results show that e-cigarettes deliver nicotine effectively, although the pharmacokinetic profiles are lower than those achieved with regular cigarettes. Our PK model effectively predicts plasma nicotine and cotinine concentrations from the inhalation volume, and initial breath CO. Conclusion E-cigarettes are effective at delivering nicotine. This new PK model of e-cigarette usage might be used for pharmacodynamic analysis where the PK profiles are not available. PMID:25503588

  10. Teaching Electronic Literacy A Concepts-Based Approach for School Library Media Specialists

    Craver, Kathleen W

    1997-01-01

    School library media specialists will find this concepts-based approach to teaching electronic literacy an indispensable basic tool for instructing students and teachers. It provides step-by-step instruction on how to find and evaluate needed information from electronic databases and the Internet, how to formulate successful electronic search strategies and retrieve relevant results, and how to interpret and critically analyze search results. The chapters contain a suggested lesson plan and sample assignments for the school library media specialist to use in teaching electronic literacy skills

  11. New Statistical Multiparticle Approach to the Acceleration of Electrons by the Ion Field in Plasmas

    Eugene Oks

    2010-01-01

    Full Text Available The phenomenon of the acceleration of the (perturbing electrons by the ion field (AEIF significantly reduces Stark widths and shifts in plasmas of relatively high densities and/or relatively low temperature. Our previous analytical calculations of the AEIF were based on the dynamical treatment: the starting point was the ion-microfield-caused changes of the trajectories and velocities of individual perturbing electrons. In the current paper, we employ a statistical approach: the starting point is the electron velocity distribution function modified by the ion microfield. The latter had been calculated by Romanovsky and Ebeling in the multiparticle description of the ion microfield. The result shows again the reduction of the electron Stark broadening. Thus two totally different analytical approaches (dynamical and statistical agree with each other and therefore disprove the corresponding recent fully-numerical simulations by Stambulchik et al. that claimed an increase of the electron Stark broadening.

  12. Development and application of a 2-electron reduced density matrix approach to electron transport via molecular junctions

    Hoy, Erik P.; Mazziotti, David A.; Seideman, Tamar

    2017-11-01

    Can an electronic device be constructed using only a single molecule? Since this question was first asked by Aviram and Ratner in the 1970s [Chem. Phys. Lett. 29, 277 (1974)], the field of molecular electronics has exploded with significant experimental advancements in the understanding of the charge transport properties of single molecule devices. Efforts to explain the results of these experiments and identify promising new candidate molecules for molecular devices have led to the development of numerous new theoretical methods including the current standard theoretical approach for studying single molecule charge transport, i.e., the non-equilibrium Green's function formalism (NEGF). By pairing this formalism with density functional theory (DFT), a wide variety of transport problems in molecular junctions have been successfully treated. For some systems though, the conductance and current-voltage curves predicted by common DFT functionals can be several orders of magnitude above experimental results. In addition, since density functional theory relies on approximations to the exact exchange-correlation functional, the predicted transport properties can show significant variation depending on the functional chosen. As a first step to addressing this issue, the authors have replaced density functional theory in the NEGF formalism with a 2-electron reduced density matrix (2-RDM) method, creating a new approach known as the NEGF-RDM method. 2-RDM methods provide a more accurate description of electron correlation compared to density functional theory, and they have lower computational scaling compared to wavefunction based methods of similar accuracy. Additionally, 2-RDM methods are capable of capturing static electron correlation which is untreatable by existing NEGF-DFT methods. When studying dithiol alkane chains and dithiol benzene in model junctions, the authors found that the NEGF-RDM predicts conductances and currents that are 1-2 orders of magnitude below

  13. Electronic and magnetic properties of UPdSn: the itinerant 5f electrons approach

    Sandratskii, L M

    1997-01-01

    Density functional theory, modified to include spin-orbit coupling and an effective orbital field to simulate Hound's second rule, is applied to investigate the magnetic structure and electronic properties of the compound Upends. Our theoretical results are in overall good agreement with experiment. Thus both theory and experiment find the magnetic structure of Upends to be non collinear, the calculated magnetic U-moments being in very good agreement with the measurements. Also, the calculated density of states is found to simulate closely the photoemission spectrum and the very low experimental value of 5 mJ mol sup - sup 1 K sup - sup 2 for the specific heat gamma is reproduced reasonably well by the calculated value of 7.5 mJ mol sup - sup 1 K sup - sup 2. Furthermore, the interconnection of the magnetic structure with the crystal structure is investigated. Here theory and experiment agree concerning the planar non collinear antiferromagnetic configuration in the orthorhombic crystal structure and for the ...

  14. Electronic structure of FeTiSb using relativistic and scalar-relativistic approaches

    Sahariya, Jagrati [Department of Physics, Manipal University Jaipur, Jaipur-303007, Rajasthan (India); Mund, H. S., E-mail: hmoond@gmail.com [Department of Physics, M. L. Sukhadia University, Udaipur-313001, Rajasthan (India)

    2016-05-06

    Electronic and magnetic properties of FeTiSb have been reported. The calculations are performed using spin polarized relativistic Korringa-Kohn-Rostoker scheme based on Green’s function method. Within SPR-KKR a fully relativistic and scalar-relativistic approaches have been used to investigate electronic structure of FeTiSb. Energy bands, total and partial density of states, atom specific magnetic moment along with total moment of FeTiSb alloys are presented.

  15. Many-electron approaches in physics, chemistry and mathematics a multidisciplinary view

    Site, Luigi

    2014-01-01

    This book provides a broad description of the development and (computational) application of many-electron approaches from a multidisciplinary perspective. In the context of studying many-electron systems Computer Science, Chemistry, Mathematics and Physics are all intimately interconnected. However, beyond a handful of communities working at the interface between these disciplines, there is still a marked separation of subjects. This book seeks to offer a common platform for possible exchanges between the various fields and to introduce the reader to perspectives for potential further developments across the disciplines. The rapid advances of modern technology will inevitably require substantial improvements in the approaches currently used, which will in turn make exchanges between disciplines indispensable. In essence this book is one of the very first attempts at an interdisciplinary approach to the many-electron problem.

  16. Visualized attribute analysis approach for characterization and quantification of rice taste flavor using electronic tongue

    Lu, Lin; Hu, Xianqiao [Rice Product Quality Supervision and Inspection Center, Ministry of Agriculture, China National Rice Research Institute, Hangzhou 310006 (China); Tian, Shiyi; Deng, Shaoping [College of Food Science and Biotechnology, Zhejiang Gongshang University, Hangzhou 310035 (China); Zhu, Zhiwei, E-mail: 615834652@qq.com [Rice Product Quality Supervision and Inspection Center, Ministry of Agriculture, China National Rice Research Institute, Hangzhou 310006 (China)

    2016-05-05

    This paper deals with a novel visualized attributive analysis approach for characterization and quantification of rice taste flavor attributes (softness, stickiness, sweetness and aroma) employing a multifrequency large-amplitude pulse voltammetric electronic tongue. Data preprocessing methods including Principal Component Analysis (PCA) and Fast Fourier Transform (FFT) were provided. An attribute characterization graph was represented for visualization of the interactive response in which each attribute responded by specific electrodes and frequencies. The model was trained using signal data from electronic tongue and attribute scores from artificial evaluation. The correlation coefficients for all attributes were over 0.9, resulting in good predictive ability of attributive analysis model preprocessed by FFT. This approach extracted more effective information about linear relationship between electronic tongue and taste flavor attribute. Results indicated that this approach can accurately quantify taste flavor attributes, and can be an efficient tool for data processing in a voltammetric electronic tongue system. - Graphical abstract: Schematic process for visualized attributive analysis approach using multifrequency large-amplitude pulse voltammetric electronic tongue for determination of rice taste flavor attribute. (a) sample; (b) sensors in electronic tongue; (c) excitation voltage program and response current signal from MLAPS; (d) similarity data matrix by data preprocessing and similarity extraction; (e) feature data matrix of attribute; (f) attribute characterization graph; (g) attribute scores predicted by the model. - Highlights: • Multifrequency large-amplitude pulse voltammetric electronic tongue was used. • A visualized attributive analysis approach was created as an efficient tool for data processing. • Rice taste flavor attribute was determined and predicted. • The attribute characterization graph was represented for visualization of the

  17. Pseudoalteromonas spp. Serve as Initial Bacterial Attractants in Mesocosms of Coastal Waters but Have Subsequent Antifouling Capacity in Mesocosms and when Embedded in Paint

    Bernbom, Nete; Ng, Yin; Møller, Stefan

    2013-01-01

    . Pseudoalteromonas piscicida survived on a steel surface and retained antifouling activity for at least 53 days in sterile seawater, whereas P. tunicata survived and had antifouling activity for only 1 week. However, during the first week, all Pseudoalteromonas strains facilitated rather than prevented bacterial...... attachment when used to coat stainless steel surfaces and submerged in mesocosms with natural seawater. The bacterial density on surfaces coated with sterile growth medium was 105 cells/cm2 after 7 days, whereas counts on surfaces precoated with Pseudoalteromonas were significantly higher, at 106 to 108...

  18. The principles of electronic and electromechanic power conversion a systems approach

    Ferreira, Braham

    2013-01-01

    Teaching the principles of power electronics and electromechanical power conversion through a unique top down systems approach, The Principles of Electromechanical Power Conversion takes the role and system context of power conversion functions as the starting point. Following this approach, the text defines the building blocks of the system and describes the theory of how they exchange power with each other. The authors introduce a modern, simple approach to machines, which makes the principles of field oriented control and space vector theory approachable to undergraduate students as well as

  19. Multiple scattering approach to the vibrational excitation of molecules by slow electrons

    Drukarev, G.

    1976-01-01

    Another approach to the problem of vibrational excitation of homonuclear two-atomic molecules by slow electrons possibly accompanied by rotational transitions is presented based on the picture of multiple scattering of an electron inside the molecule. The scattering of two fixed centers in the zero range potential model is considered. The results indicate that the multiple scattering determines the order of magnitude of the vibrational excitation cross sections in the energy region under consideration even if the zero range potential model is used. Also the connection between the multiple scattering approach and quasi-stationary molecular ion picture is established. 9 refs

  20. Carbon transfer from dissolved organic carbon to the cladoceran Bosmina: a mesocosm study

    Tang Yali

    2017-01-01

    Full Text Available A mesocosm study illuminated possible transfer pathways for dissolved organic carbon from the water column to zooplankton. Organic carbon was added as 13C enriched glucose to 15 mesocosms filled with natural lake water. Stable isotope analysis and phospholipid fatty acids-based stable isotope probing were used to trace the incorporation of 13C into the cladoceran Bosmina and its potential food items. Glucose-C was shown to be assimilated into phytoplankton (including fungi and heterotrophic protists, bacteria and Bosmina, all of which became enriched with 13C during the experiment. The study suggests that bacteria play an important role in the transfer of glucose-C to Bosmina. Furthermore, osmotic algae, fungi and heterotrophic protists might also contribute to the isotopic signature changes observed in Bosmina. These findings help to clarify the contribution of dissolved organic carbon to zooplankton and its potential pathways.

  1. Inorganic carbon fluxes across the vadose zone of planted and unplanted soil mesocosms

    Thaysen, Eike Marie; Jacques, D.; Jessen, S.

    2014-01-01

    The efflux of carbon dioxide (CO2) from soils influences atmospheric CO2 concentrations and thereby climate change. The partitioning of inorganic carbon (C) fluxes in the vadose zone between emission to the atmosphere and to the groundwater was investigated to reveal controlling underlying...... mechanisms. Carbon dioxide partial pressure in the soil gas (pCO(2)), alkalinity, soil moisture and temperature were measured over depth and time in unplanted and planted (barley) mesocosms. The dissolved inorganic carbon (DIC) percolation flux was calculated from the pCO(2), alkalinity and the water flux...... to calculate the soil CO2 production. Carbon dioxide fluxes were modeled using the HP1 module of the Hydrus 1-D software. The average CO2 effluxes to the atmosphere from unplanted and planted mesocosm ecosystems during 78 days of experiment were 0.1 +/- 0.07 and 4.9 +/- 0.07 mu mol Cm-2 s(-1), respectively...

  2. An analytical approach to characterize morbidity profile dissimilarity between distinct cohorts using electronic medical records

    Schildcrout, Jonathan S.; Basford, Melissa A.; Pulley, Jill M.; Masys, Daniel R.; Roden, Dan M.; Wang, Deede; Chute, Christopher G.; Kullo, Iftikhar J.; Carrell, David; Peissig, Peggy; Kho, Abel; Denny, Joshua C.

    2010-01-01

    We describe a two-stage analytical approach for characterizing morbidity profile dissimilarity among patient cohorts using electronic medical records. We capture morbidities using the International Statistical Classification of Diseases and Related Health Problems (ICD-9) codes. In the first stage of the approach separate logistic regression analyses for ICD-9 sections (e.g., “hypertensive disease” or “appendicitis”) are conducted, and the odds ratios that describe adjusted differences in pre...

  3. Quantum Geometry: Relativistic energy approach to cooperative electron-nucleary-transition spectrum

    Ольга Юрьевна Хецелиус

    2014-11-01

    Full Text Available An advanced relativistic energy approach is presented and applied to calculating parameters of electron-nuclear 7-transition spectra of nucleus in the atom. The intensities of the spectral satellites are defined in the relativistic version of the energy approach (S-matrix formalism, and gauge-invariant quantum-electrodynamical perturbation theory with the Dirac-Kohn-Sham density-functional zeroth approximation.

  4. Carbon balance modification in Sphagnum-dominated peat mesocosms invaded by Molinia caerulea

    Leroy, Fabien; Gogo, Sébastien; Guimbaud, Christophe; Bernard-Jannin, Léonard; Laggoun-Défarge, Fatima

    2017-04-01

    Plant communities have a key role in regulating greenhouse gas (GHG) emissions in peatland ecosystems and thus on their capacity to act as carbon (C) sink. However, in response to global change, boreal and temperate peatlands may shift from Sphagnum to vascular plant-dominated peatlands that may alter their C-sink function. We set up a mesocosm experiment to investigate how the main GHG fluxes (CO2 and CH4) are affected by plant community modification from Sphagnum mosses to Molinia caerulea dominance. Gross primary production (GPP), ecosystem respiration (ER) and CH4 emissions models were used to compare the C balance and global warming potential under both vegetation cover. While the annual CO2 and CH4 emissions modeling estimated an output of respectively 652 and 18 gC m-2 y-1 in Sphagnum mesocosms, it represented a release of 1473 and 50 gC m-2 y-1 with Molinia caerulea occurrence. Annual modeled GPP was respectively -495 and -1968 gC m-2 y-1 in Sphagnum and Molinia mesocosms leading to a net ecosystem carbon balance (NECB) of 175 g gC m-2 y-1 in Sphagnum mesocosms (i.e., a C-source) and of -445 gC m-2 y-1 for Molinia ones (i.e., a C-sink). Even if CH4 emission accounted for a small part of the gaseous C efflux ( 3%), its global warming potential value to get CO2 equivalent makes both plant communities acting as a warming climate effect. The vegetation shift from Sphagnum mosses to Molinia caerulea seems beneficial for C sequestration regarding the gaseous pool. However, roots and litters of Molinia caerulea could further provide substrates for C emissions and dissolved organic C release.

  5. Effects of the herbicide metazachlor on macrophytes and ecosystem function in freshwater pond and stream mesocosms.

    Mohr, S; Berghahn, R; Feibicke, M; Meinecke, S; Ottenströer, T; Schmiedling, I; Schmiediche, R; Schmidt, R

    2007-05-01

    The chloroacetamide metazachlor is a commonly used pre-emergent herbicide to inhibit growth of plants especially in rape culture. It occurs in surface and ground water due to spray-drift or run-off in concentrations up to 100 microgL(-1). Direct and indirect effects of metazachlor on aquatic macrophytes were investigated at oligo- to mesotrophic nutrient levels employing eight stream and eight pond indoor mesocosms. Five systems of each type were dosed once with 5, 20, 80, 200 and 500 microgL(-1) metazachlor and three ponds and three streams served as controls. Pronounced direct negative effects on macrophyte biomass of Potamogeton natans, Myriophyllum verticillatum and filamentous green algae as well as associated changes in water chemistry were detected in the course of the summer 2003 in both pond and stream mesocosms. Filamentous green algae dominated by Cladophora glomerata were the most sensitive organisms in both pond and stream systems with EC(50) ranging from 3 (streams) to 9 (ponds) microgL(-1) metazachlor. In the contaminated pond mesocosms with high toxicant concentrations (200 and 500 microgL(-1)), a species shift from filamentous green algae to the yellow-green alga Vaucheria spec. was detected. The herbicide effects for the different macrophyte species were partly masked by interspecific competition. No recovery of macrophytes was observed at the highest metazachlor concentrations in both pond and stream mesocosms until the end of the study after 140 and 170 days. Based on the lowest EC(50) value of 4 microgL(-1) for total macrophyte biomass, it is argued that single exposure of aquatic macrophytes to metazachlor to nominal concentrations >5 microgL(-1) is likely to have pronounced long-term effects on aquatic biota and ecosystem function.

  6. Warming Increases the Proportion of Primary Production Emitted as Methane from Freshwater Mesocosms

    2010-01-01

    Abstract Methane and carbon dioxide are the dominant gaseous end products of the remineralisation of organic carbon and also the two largest contributors to the anthropogenic greenhouse effect. We investigated whether warming altered the balance of methane efflux relative to primary production and ecosystem respiration in a freshwater mesocosm experiment. Whole ecosystem CH4 efflux was strongly related to temperature with an apparent activation energy of 0.85eV. Furthermore, CH4 ef...

  7. Assessing biological and chemical signatures related to nutrient removal by floating islands in stormwater mesocosms.

    Chang, Ni-Bin; Islam, Kamrul; Marimon, Zachary; Wanielista, Martin P

    2012-07-01

    Aquatic floating plants on BioHaven mats were tested for their potential use as a Best Management Practice to be incorporated within existing stormwater detention ponds. Plants were analyzed for their capability to remove nutrient-pollution in parallel with the study of ecological dynamics. Experiments were carried out in cylindrical mesocosms of 5 m diameter and 1.2 m height, above-ground pools with a water volume of 14 m(3). The design parameters tested were for 5% and 10% vegetated floating island coverage of the mesocosm, both with and without shoreline plants called littoral zone. This littoral shelf was 0.5 m thick, graded at a downward slope of 1:5 toward the center using loamy soil with low organic matter content, excavated from below turf grass. Endemic plant species were chosen for the experimental location in central Florida based on a wetland identification manual by the Florida Department of Environmental Protection to ensure the study was not compromised by unique climate requirements of the plants. Nutrient and aquatic chemical conditions such as pH, dissolved oxygen, temperature, turbidity, and chlorophyll a were monitored to understand their relationships to the general wetland ecosystem. Real-time polymerase chain reaction analysis identified the microbial activity near the rhizospheric zone. Logistical placement considerations were made using spatial sampling across the horizontal plane of the mesocosms, beneath and around the root zone, to determine if nutrients tend to aggregate around the floating island. This study concluded that the application of floating islands as a stormwater technology can remove nutrients through plant uptake and biological activity. The most cost-effective size in the outdoor mesocosms was 5% surface area coverage of the mat. Copyright © 2012 Elsevier Ltd. All rights reserved.

  8. Effects of repeated insecticide pulses on macroinvertebrate drift in indoor stream mesocosms.

    Berghahn, Rüdiger; Mohr, Silvia; Hübner, Verena; Schmiediche, Ronny; Schmiedling, Ina; Svetich-Will, Erkki; Schmidt, Ralf

    2012-10-15

    Pesticide contaminations via run-off or spray drift have been reported to result in the mass drift of macroinvertebrates as well as causing structural and functional changes of the corresponding stream sections. However, pesticide pulses in the field are associated with sudden increases in flow velocity, water turbidity, and changes in water temperature, which can also induce drift. Only through replicated community testing under highly controlled conditions can these effects be disentangled. In a stream mesocosm study, 12-h pulses of 12 μg/L imidacloprid were set three times at weekly intervals and are considered a "pulse series". Two pulse series of this neonicotinoid insecticide were run in both spring and summer with 4 treatment and 4 control stream mesocosms used in each pulse series. Prior to the start of the mesocosm experiment, both pulse concentration and duration had been screened for drift responses in larval Baetidae, Chironomidae and adult Gammarus roeseli in laboratory experiments. In the subsequent mesocosm study, each pulse caused a pronounced increase in the drift of insect larvae and gammarids. The drift response was taxon-specific, which was related to preferred habitat and exposure to other stressors like current velocity, in addition to imidacloprid sensitivity. Activity measurements employing a Multispecies Freshwater Biomonitor(®) revealed that in Baetis sp. the diurnal activity pattern became more pronounced even 12h after the pulse though with slightly decreased mean physical activity. Adult G. roeseli showed a drastic pulse by pulse decrease in physical activity which after the 3rd pulse lasted longer than 24h. In conclusion, drift is a sensitive, ecologically relevant endpoint and should be regarded when a specific risk assessment for lotic surface waters is done, e.g. in the context of a spatially explicit risk assessment. Copyright © 2012 Elsevier B.V. All rights reserved.

  9. High midday temperature stress has stronger effects on biomass than on photosynthesis: A mesocosm experiment on four tropical seagrass species.

    George, Rushingisha; Gullström, Martin; Mangora, Mwita M; Mtolera, Matern S P; Björk, Mats

    2018-05-01

    The effect of repeated midday temperature stress on the photosynthetic performance and biomass production of seagrass was studied in a mesocosm setup with four common tropical species, including Thalassia hemprichii , Cymodocea serrulata , Enhalus acoroides , and Thalassodendron ciliatum . To mimic natural conditions during low tides, the plants were exposed to temperature spikes of different maximal temperatures, that is, ambient (29-33°C), 34, 36, 40, and 45°C, during three midday hours for seven consecutive days. At temperatures of up to 36°C, all species could maintain full photosynthetic rates (measured as the electron transport rate, ETR) throughout the experiment without displaying any obvious photosynthetic stress responses (measured as declining maximal quantum yield, Fv/Fm). All species except T. ciliatum could also withstand 40°C, and only at 45°C did all species display significantly lower photosynthetic rates and declining Fv/Fm. Biomass estimation, however, revealed a different pattern, where significant losses of both above- and belowground seagrass biomass occurred in all species at both 40 and 45°C (except for C. serrulata in the 40°C treatment). Biomass losses were clearly higher in the shoots than in the belowground root-rhizome complex. The findings indicate that, although tropical seagrasses presently can cope with high midday temperature stress, a few degrees increase in maximum daily temperature could cause significant losses in seagrass biomass and productivity.

  10. Biological and chemical data determined in mesocosm experiments by Dauphin Island Sea Lab in June and August of 2011 (NODC Accession 0118680)

    National Oceanic and Atmospheric Administration, Department of Commerce — Abundances of viruses, prokaryotes, diatoms, dinoflagellates, ciliates and heterotrophic nanoflagellates were determined over time in mesocosm experiments measuring...

  11. Development of mosquitofish (Gambusia affinis holbrooki populations in lentic mesocosms. Perspectives for ecotoxicological studies

    DREZE V.

    1998-07-01

    Full Text Available In the perspective of ecotoxicological assays in mesocosms, the development of mosquitofish populations (Gambusia affinis holbrooki has been assessed. The objective was to evaluate the ability of fish to reproduce in these experimental ponds under the climatic conditions of Brittany, and to see if population size and individual criteria were related to the number of adults initially introduced. Six mesocosms (3.2 m diameter and 0.7 m water depth similarly designed received sexually mature mosquitofish at the rate of 12 (6 females and 6 males, 6 (3 females and 3 males and 2 (1 female and 1 male in June 1996. Each assay was duplicated. In December 1996, the entire populations were collected and the weight, size and sex of the individuals were noted. Length-frequency distributions were relatively similar between mesocosms and the different mode groups showed that the reproductive activity occurred until the beginning of fall. The produced biomass (from 4.1 to 38.3 g and number of fish collected (from 26 to 301 were statistically correlated to the number of pairs initially introduced. This study provides interesting perspectives for ecotoxicological investigations in which the effects of pollutants on mosquitofish would be assessed at the population level.

  12. Bifenthrin causes trophic cascades and alters insect emergence in mesocosms: implication for small streams

    Rogers, Holly; Schmidt, Travis S.; Dabney, Brittanie L.; Hladik, Michelle; Mahler, Barbara J.; Van Metre, Peter C.

    2016-01-01

    Direct and indirect ecological effects of the widely used insecticide bifenthrin on stream ecosystems are largely unknown. To investigate such effects, a manipulative experiment was conducted in stream mesocosms that were colonized by aquatic insect communities and exposed to bifenthrin-contaminated sediment; implications for natural streams were interpreted through comparison of mesocosm results to a survey of 100 Midwestern streams, USA. In the mesocosm experiment, direct effects of bifenthrin exposure included reduced larval macroinvertebrate abundance, richness, and biomass at concentrations (EC50s ranged 197.6 – 233.5 ng bifenthrin/ g organic carbon) previously thought safe for aquatic life. Indirect effects included a trophic cascade in which periphyton abundance increased after macroinvertebrate scrapers decreased. Adult emergence dynamics and corresponding terrestrial subsidies were altered at all bifenthrin concentrations tested. Extrapolating these results to the Midwestern stream assessment suggests pervasive ecological effects, with altered emergence dynamics likely in 40% of streams and a trophic cascade in 7% of streams. This study provides new evidence that a common pyrethroid might alter aquatic and terrestrial ecosystem function at the regional scale.

  13. Comparison of Four Nitrate Removal Kinetic Models in Two Distinct Wetland Restoration Mesocosm Systems

    Tiffany L. Messer

    2017-07-01

    Full Text Available The objective of the study was to determine the kinetic model that best fit observed nitrate removal rates at the mesocosm scale in order to determine ideal loading rates for two future wetland restorations slated to receive pulse flow agricultural drainage water. Four nitrate removal models were investigated: zero order, first order decay, efficiency loss, and Monod. Wetland mesocosms were constructed using the primary soil type (in triplicate at each of the future wetland restoration sites. Eighteen mesocosm experiments were conducted over two years across seasons. Simulated drainage water was loaded into wetlands as batches, with target nitrate-N levels typically observed in agricultural drainage water (between 2.5 and 10 mg L−1. Nitrate-N removal observed during the experiments provided the basis for calibration and validation of the models. When the predictive strength of each of the four models was assessed, results indicated that the efficiency loss and first order decay models provided the strongest agreement between predicted and measured NO3-N removal rates, and the fit between the two models were comparable. Since the predictive power of these two models were similar, the less complicated first order decay model appeared to be the best choice in predicting appropriate loading rates for the future full-scale wetland restorations.

  14. Response of Alteromonadaceae and Rhodobacteriaceae to glucose and phosphorus manipulation in marine mesocosms.

    Allers, Elke; Gómez-Consarnau, Laura; Pinhassi, Jarone; Gasol, Josep M; Simek, Karel; Pernthaler, Jakob

    2007-10-01

    Microbial successions were studied in experimental mesocosms of marine water in the presence of additional organic carbon (glucose), phosphorus (P) or both. P addition lead to pronounced blooms of phytoplankton and to significantly enhanced bacterial production. Characteristic succession patterns were observed for two phylogenetic groups of bacteria that both transiently formed > 50% of total cells. An initial bloom of bacteria affiliated to the Alteromonadaceae could not be assigned to any specific treatment and was interpreted as a response to the manipulations during mesocosm set-up. These bacteria rapidly declined with the appearance of heterotrophic nanoflagellates, suggesting a negative effect of selective grazing. The persistence of Alteromonadaceae in the microbial assemblages was significantly favored by the presence of additional glucose. During the second half of the experiment, bacteria affiliated to Rhodobacteriaceae formed a dominant component of the experimental assemblages in treatments with addition of P. The community contribution of Rhodobacteriaceae was significantly correlated with chlorophyll a concentrations only in the P-amended mesocosms (r(2) = 0.58). This was more pronounced in the absence of glucose (r(2) = 0.85). The phylogenetic and morphological diversity among Rhodobacteriaceae was high, and treatment-specific temporal successions of genotypes related to Rhodobacteriaceae were observed. We suggest that the observed succession patterns reflect different niche preferences: Alteromonadaceae rapidly responded to disturbance and profited from allochthonous glucose input, whereas Rhodobacteriaceae benefited from the phytoplankton bloom.

  15. High resolution and comprehensive techniques to analyze aerobic methane oxidation in mesocosm experiments

    Chan, E. W.; Kessler, J. D.; Redmond, M. C.; Shiller, A. M.; Arrington, E. C.; Valentine, D. L.; Colombo, F.

    2015-12-01

    Many studies of microbially mediated aerobic methane oxidation in oceanic environments have examined the many different factors that control the rates of oxidation. However, there is debate on how quickly methane is oxidized once a microbial population is established and what factor(s) are limiting in these types of environments. These factors include the availability of CH4, O2, trace metals, nutrients, and the density of cell population. Limits to these factors can also control the temporal aspects of a methane oxidation event. In order to look at this process in its entirety and with higher temporal resolution, a mesocosm incubation system was developed with a Dissolved Gas Analyzer System (DGAS) coupled with a set of analytical tools to monitor aerobic methane oxidation in real time. With the addition of newer laser spectroscopy techniques (cavity ringdown spectroscopy), stable isotope fractionation caused by microbial processes can also be examined on a real time and automated basis. Cell counting, trace metal, nutrient, and DNA community analyses have also been carried out in conjunction with these mesocosm samples to provide a clear understanding of the biology in methane oxidation dynamics. This poster will detail the techniques involved to provide insights into the chemical and isotopic kinetics controlling aerobic methane oxidation. Proof of concept applications will be presented from seep sites in the Hudson Canyon and the Sleeping Dragon seep field, Mississippi Canyon 118 (MC 118). This system was used to conduct mesocosm experiments to examine methane consumption, O2 consumption, nutrient consumption, and biomass production.

  16. Mesocosm studies to assess acidity removal from acidic mine lakes through controlled eutrophication

    Fyson, A.; Nixdorf, B.; Kalin, M.; Steinberg, C.E.W.

    1998-01-01

    Flooded lignite pits (Tagebaurestseen) in Lusatia, Germany, are acidic (pH 2.5-4) with high concentrations of iron. Mesocosms (total volume 20 l) were set up with water and sediment from a Tagebaurestsee to assess the effects of phosphate and organic amendments under natural light and low temperature. Chemical and biological parameters were observed over a 9-month period. Phosphate rock addition resulted in sustained reduction in acidity in the water column and induced the growth of Chlamydomonas spp. (Chlorophyceae) near the water surface and Lepocinclis teres (Euglenophyceae) in a band above the sediment. Addition of potatoes to mesocosms resulted in the generation of near-anoxic conditions above the sediment, and phosphorus, ammonium and carbon (organic and inorganic) were released as the potatoes decomposed. A pH > 6 was attained with 5.1 g (dry weight) of potatoes and pH > 8 with 34 g (dry weight). In both mesocosms, more than 90% of total acidity was removed

  17. A modified linear algebraic approach to electron scattering using cubic splines

    Kinney, R.A.

    1986-01-01

    A modified linear algebraic approach to the solution of the Schrodiner equation for low-energy electron scattering is presented. The method uses a piecewise cubic-spline approximation of the wavefunction. Results in the static-potential and the static-exchange approximations for e - +H s-wave scattering are compared with unmodified linear algebraic and variational linear algebraic methods. (author)

  18. Hot electrons and the approach to metallic behavior in Kx(KCl)1-x

    Silvestrelli, P.L.; Alavi, A.; Parrinello, M.; Frenkel, D.

    1996-01-01

    The approach to the metallic phase of molten Kx(KCl)1-x mixtures is studied using ab initio molecular dynamics based on finite-temperature density functional theory. The finite electronic temperature is found to result in new and unexpected effects. In particular, we observe a thermally induced

  19. Eikonal approach to the atomic break-up process by polarized electrons

    Onaga, Tomohide

    1992-01-01

    The cross section asymmetry for ionization of hydrogen atoms by electron impact is analysed in the eikonal approach. A new formulation is given for the evaluation of the exchange amplitude up to higher partial Coulomb waves. It is concluded that the cross section asymmetry gives an important criterion or interesting test of validity of approximation methods with the exchange effect. (author)

  20. A Graphical, Self-Organizing Approach to Classifying Electronic Meeting Output.

    Orwig, Richard E.; Chen, Hsinchun; Nunamaker, Jay F., Jr.

    1997-01-01

    Describes research using an artificial intelligence approach in the application of a Kohonen Self-Organizing Map (SOM) to the problem of classification of electronic brainstorming output and an evaluation of the results. The graphical representation of textual data produced by the Kohonen SOM suggests many opportunities for improving information…

  1. A New Approach in Teaching Power Electronics Control of Electrical Drives using Real-Time

    Teodorescu, Remus; Bech, Michael Møller; Blaabjerg, Frede

    2000-01-01

    A new approach in teaching power electronics and electrical drives is achieved at the Flexible Drives System Laboratory (FDSL) from Aalborg University by using the new Total Development Environment (TDE) concept that allows a full visual block-oriented programming of dynamic real-time systems...

  2. General approach to understanding the electronic structure of graphene on metals

    Voloshina, E N; Dedkov, Yu S

    2014-01-01

    This manuscript presents the general approach to the understanding of the connection between bonding mechanism and electronic structure of graphene on metals. To demonstrate its validity, two limiting cases of ‘weakly’ and ‘strongly’ bonded graphene on Al(111) and Ni(111) are considered, where the Dirac cone is preserved or fully destroyed, respectively. Furthermore, the electronic structure, i.e. doping level, hybridization effects, as well as a gap formation at the Dirac point of the intermediate system, graphene/Cu(111), is fully understood in the framework of the proposed approach. This work summarises the long-term debates regarding connection of the bonding strength and the valence band modification in the graphene/metal systems and paves a way for the effective control of the electronic states of graphene in the vicinity of the Fermi level. (paper)

  3. Zeroth order regular approximation approach to electric dipole moment interactions of the electron

    Gaul, Konstantin; Berger, Robert

    2017-07-01

    A quasi-relativistic two-component approach for an efficient calculation of P ,T -odd interactions caused by a permanent electric dipole moment of the electron (eEDM) is presented. The approach uses a (two-component) complex generalized Hartree-Fock and a complex generalized Kohn-Sham scheme within the zeroth order regular approximation. In applications to select heavy-elemental polar diatomic molecular radicals, which are promising candidates for an eEDM experiment, the method is compared to relativistic four-component electron-correlation calculations and confirms values for the effective electric field acting on the unpaired electron for RaF, BaF, YbF, and HgF. The calculations show that purely relativistic effects, involving only the lower component of the Dirac bi-spinor, are well described by treating only the upper component explicitly.

  4. Electron microscopy approach for the visualization of the epithelial and endothelial glycocalyx.

    Chevalier, L; Selim, J; Genty, D; Baste, J M; Piton, N; Boukhalfa, I; Hamzaoui, M; Pareige, P; Richard, V

    2017-06-01

    This study presents a methodological approach for the visualization of the glycocalyx by electron microscopy. The glycocalyx is a three dimensional network mainly composed of glycolipids, glycoproteins and proteoglycans associated with the plasma membrane. Since less than a decade, the epithelial and endothelial glycocalyx proved to play an important role in physiology and pathology, increasing its research interest especially in vascular functions. Therefore, visualization of the glycocalyx requires reliable techniques and its preservation remains challenging due to its fragile and dynamic organization, which is highly sensitive to the different process steps for electron microscopy sampling. In this study, chemical fixation was performed by perfusion as a good alternative to conventional fixation. Additional lanthanum nitrate in the fixative enhances staining of the glycocalyx in transmission electron microscopy bright field and improves its visualization by detecting the elastic scattered electrons, thus providing a chemical contrast. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

  5. Fabrication Approaches to Interconnect Based Devices for Stretchable Electronics: A Review

    Steven Nagels

    2018-03-01

    Full Text Available Stretchable electronics promise to naturalize the way that we are surrounded by and interact with our devices. Sensors that can stretch and bend furthermore have become increasingly relevant as the technology behind them matures rapidly from lab-based workflows to industrially applicable production principles. Regardless of the specific materials used, creating stretchable conductors involves either the implementation of strain reliefs through insightful geometric patterning, the dispersion of stiff conductive filler in an elastomeric matrix, or the employment of intrinsically stretchable conductive materials. These basic principles however have spawned a myriad of materials systems wherein future application engineers need to find their way. This paper reports a literature study on the spectrum of different approaches towards stretchable electronics, discusses standardization of characteristic tests together with their reports and estimates matureness for industry. Patterned copper foils that are embedded in elastomeric sheets, which are closest to conventional electronic circuits processing, make up one end of the spectrum. Furthest from industry are the more recent circuits based on intrinsically stretchable liquid metals. These show extremely promising results, however, as a technology, liquid metal is not mature enough to be adapted. Printing makes up the transition between both ends, and is also well established on an industrial level, but traditionally not linked to creating electronics. Even though a certain level of maturity was found amongst the approaches that are reviewed herein, industrial adaptation for consumer electronics remains unpredictable without a designated break-through commercial application.

  6. Fabrication Approaches to Interconnect Based Devices for Stretchable Electronics: A Review.

    Nagels, Steven; Deferme, Wim

    2018-03-03

    Stretchable electronics promise to naturalize the way that we are surrounded by and interact with our devices. Sensors that can stretch and bend furthermore have become increasingly relevant as the technology behind them matures rapidly from lab-based workflows to industrially applicable production principles. Regardless of the specific materials used, creating stretchable conductors involves either the implementation of strain reliefs through insightful geometric patterning, the dispersion of stiff conductive filler in an elastomeric matrix, or the employment of intrinsically stretchable conductive materials. These basic principles however have spawned a myriad of materials systems wherein future application engineers need to find their way. This paper reports a literature study on the spectrum of different approaches towards stretchable electronics, discusses standardization of characteristic tests together with their reports and estimates matureness for industry. Patterned copper foils that are embedded in elastomeric sheets, which are closest to conventional electronic circuits processing, make up one end of the spectrum. Furthest from industry are the more recent circuits based on intrinsically stretchable liquid metals. These show extremely promising results, however, as a technology, liquid metal is not mature enough to be adapted. Printing makes up the transition between both ends, and is also well established on an industrial level, but traditionally not linked to creating electronics. Even though a certain level of maturity was found amongst the approaches that are reviewed herein, industrial adaptation for consumer electronics remains unpredictable without a designated break-through commercial application.

  7. Direct electron transfer: an approach for electrochemical biosensors with higher selectivity and sensitivity

    Freire Renato S.

    2003-01-01

    Full Text Available The most promising approach for the development of electrochemical biosensors is to establish a direct electrical communication between the biomolecules and the electrode surface. This review focuses on advances, directions and strategies in the development of third generation electrochemical biosensors. Subjects covered include a brief description of the fundamentals of the electron transfer phenomenon and amperometric biosensor development (different types and new oriented enzyme immobilization techniques. Special attention is given to different redox enzymes and proteins capable of electrocatalyzing reactions via direct electron transfer. The analytical applications and future trends for third generation biosensors are also presented and discussed.

  8. The effect of different electrodes on the electronic transmission of benzene junctions: Analytical approach

    Mohebbi, Razie; Seyed-Yazdi, Jamileh, E-mail: j.seyedyazdi@vru.ac.ir

    2016-06-01

    In this paper we have investigated the electronic transmission of systems electrode–benzene–electrode using the Landauer approach. The effect of different electrodes made of metal (Au) and semiconductors (Si, TiO{sub 2}) is investigated. These three electrodes are compared between them and the results show that the electronic transmission of benzene junctions, when using semiconductor electrodes, is associated to a gap in transmission which is due to the electrodes band gap. As a consequence, a threshold voltage is necessary to obtain conducting channels.

  9. A unifying probabilistic Bayesian approach to derive electron density from MRI for radiation therapy treatment planning

    Gudur, Madhu Sudhan Reddy; Hara, Wendy; Le, Quynh-Thu; Wang, Lei; Xing, Lei; Li, Ruijiang

    2014-01-01

    MRI significantly improves the accuracy and reliability of target delineation in radiation therapy for certain tumors due to its superior soft tissue contrast compared to CT. A treatment planning process with MRI as the sole imaging modality will eliminate systematic CT/MRI co-registration errors, reduce cost and radiation exposure, and simplify clinical workflow. However, MRI lacks the key electron density information necessary for accurate dose calculation and generating reference images for patient setup. The purpose of this work is to develop a unifying method to derive electron density from standard T1-weighted MRI. We propose to combine both intensity and geometry information into a unifying probabilistic Bayesian framework for electron density mapping. For each voxel, we compute two conditional probability density functions (PDFs) of electron density given its: (1) T1-weighted MRI intensity, and (2) geometry in a reference anatomy, obtained by deformable image registration between the MRI of the atlas and test patient. The two conditional PDFs containing intensity and geometry information are combined into a unifying posterior PDF, whose mean value corresponds to the optimal electron density value under the mean-square error criterion. We evaluated the algorithm’s accuracy of electron density mapping and its ability to detect bone in the head for eight patients, using an additional patient as the atlas or template. Mean absolute HU error between the estimated and true CT, as well as receiver operating characteristics for bone detection (HU > 200) were calculated. The performance was compared with a global intensity approach based on T1 and no density correction (set whole head to water). The proposed technique significantly reduced the errors in electron density estimation, with a mean absolute HU error of 126, compared with 139 for deformable registration (p = 2  ×  10 −4 ), 283 for the intensity approach (p = 2  ×  10 −6 ) and 282

  10. Integrated Nationwide Electronic Health Records system: Semi-distributed architecture approach.

    Fragidis, Leonidas L; Chatzoglou, Prodromos D; Aggelidis, Vassilios P

    2016-11-14

    The integration of heterogeneous electronic health records systems by building an interoperable nationwide electronic health record system provides undisputable benefits in health care, like superior health information quality, medical errors prevention and cost saving. This paper proposes a semi-distributed system architecture approach for an integrated national electronic health record system incorporating the advantages of the two dominant approaches, the centralized architecture and the distributed architecture. The high level design of the main elements for the proposed architecture is provided along with diagrams of execution and operation and data synchronization architecture for the proposed solution. The proposed approach effectively handles issues related to redundancy, consistency, security, privacy, availability, load balancing, maintainability, complexity and interoperability of citizen's health data. The proposed semi-distributed architecture offers a robust interoperability framework without healthcare providers to change their local EHR systems. It is a pragmatic approach taking into account the characteristics of the Greek national healthcare system along with the national public administration data communication network infrastructure, for achieving EHR integration with acceptable implementation cost.

  11. A bioelectrochemical approach to characterize extracellular electron transfer by Synechocystis sp. PCC6803.

    Angelo Cereda

    Full Text Available Biophotovoltaic devices employ photosynthetic organisms at the anode of a microbial fuel cell to generate electrical power. Although a range of cyanobacteria and algae have been shown to generate photocurrent in devices of a multitude of architectures, mechanistic understanding of extracellular electron transfer by phototrophs remains minimal. Here we describe a mediatorless bioelectrochemical device to measure the electrogenic output of a planktonically grown cyanobacterium, Synechocystis sp. PCC6803. Light dependent production of current is measured, and its magnitude is shown to scale with microbial cell concentration and light intensity. Bioelectrochemical characterization of a Synechocystis mutant lacking Photosystem II demonstrates conclusively that production of the majority of photocurrent requires a functional water splitting aparatus and electrons are likely ultimately derived from water. This shows the potential of the device to rapidly and quantitatively characterize photocurrent production by genetically modified strains, an approach that can be used in future studies to delineate the mechanisms of cyanobacterial extracellular electron transport.

  12. Reconstructing Regional Ionospheric Electron Density: A Combined Spherical Slepian Function and Empirical Orthogonal Function Approach

    Farzaneh, Saeed; Forootan, Ehsan

    2018-03-01

    The computerized ionospheric tomography is a method for imaging the Earth's ionosphere using a sounding technique and computing the slant total electron content (STEC) values from data of the global positioning system (GPS). The most common approach for ionospheric tomography is the voxel-based model, in which (1) the ionosphere is divided into voxels, (2) the STEC is then measured along (many) satellite signal paths, and finally (3) an inversion procedure is applied to reconstruct the electron density distribution of the ionosphere. In this study, a computationally efficient approach is introduced, which improves the inversion procedure of step 3. Our proposed method combines the empirical orthogonal function and the spherical Slepian base functions to describe the vertical and horizontal distribution of electron density, respectively. Thus, it can be applied on regional and global case studies. Numerical application is demonstrated using the ground-based GPS data over South America. Our results are validated against ionospheric tomography obtained from the constellation observing system for meteorology, ionosphere, and climate (COSMIC) observations and the global ionosphere map estimated by international centers, as well as by comparison with STEC derived from independent GPS stations. Using the proposed approach, we find that while using 30 GPS measurements in South America, one can achieve comparable accuracy with those from COSMIC data within the reported accuracy (1 × 1011 el/cm3) of the product. Comparisons with real observations of two GPS stations indicate an absolute difference is less than 2 TECU (where 1 total electron content unit, TECU, is 1016 electrons/m2).

  13. Extensive cross-disciplinary analysis of biological and chemical control of Calanus finmarchicus reproduction during an aldehyde forming diatom bloom in mesocosms

    Jonasdottir, Sigrun; Dutz, Jörg; Koski, Marja

    2011-01-01

    Egg and faecal pellet production and egg hatching success of the calanoid copepod Calanus finmarchicus were monitored over a period of 14 days (14-28 April, 2008) while fed water from 4 differently treated mesocosms and ambient water. Two of the mesocosms used were inoculated with the polyunsatur...

  14. Consistent quantum approach to new laser-electron-nuclear effects in diatomic molecules

    Glushkov, A V; Malinovskaya, S V; Loboda, A V; Shpinareva, I M; Prepelitsa, G P

    2006-01-01

    We present a consistent, quantum approach to the calculation of electron-nuclear γ. spectra (set of vibrational and rotational satellites) for nuclei in diatomic molecules. The approach generelizes the well known Letokhov-Minogin model and is based on the Dunham model potential approximation for potential curves of diatomic molecules. The method is applied to the calculation of probabilities of the vibration-rotation-nuclear transitions in a case of emission and absorption spectrum for the nucleus 127 I (E γ (0) = 203 keV) linked with the molecule H 127 I

  15. Pseudoalteromonas spp. serve as initial bacterial attractants in mesocosms of coastal waters but have subsequent antifouling capacity in mesocosms and when embedded in paint.

    Bernbom, Nete; Ng, Yoke Yin; Olsen, Stefan Møller; Gram, Lone

    2013-11-01

    The purpose of the present study was to determine if the monoculture antifouling effect of several pigmented pseudoalteromonads was retained in in vitro mesocosm systems using natural coastal seawater and when the bacteria were embedded in paint used on surfaces submerged in coastal waters. Pseudoalteromonas piscicida survived on a steel surface and retained antifouling activity for at least 53 days in sterile seawater, whereas P. tunicata survived and had antifouling activity for only 1 week. However, during the first week, all Pseudoalteromonas strains facilitated rather than prevented bacterial attachment when used to coat stainless steel surfaces and submerged in mesocosms with natural seawater. The bacterial density on surfaces coated with sterile growth medium was 10(5) cells/cm(2) after 7 days, whereas counts on surfaces precoated with Pseudoalteromonas were significantly higher, at 10(6) to 10(8) cells/cm(2). However, after 53 days, seven of eight Pseudoalteromonas strains had reduced total bacterial adhesion compared to the control. P. piscicida, P. antarctica, and P. ulvae remained on the surface, at levels similar to those in the initial coating, whereas P. tunicata could not be detected. Larger fouling organisms were observed on all plates precoated with Pseudoalteromonas; however, plates coated only with sterile growth medium were dominated by a bacterial biofilm. Suspensions of a P. piscicida strain and a P. tunicata strain were incorporated into ship paints (Hempasil x3 87500 and Hempasil 77500) used on plates that were placed at the Hempel A/S test site in Jyllinge Harbor. For the first 4 months, no differences were observed between control plates and treated plates, but after 5 to 6 months, the control plates were more fouled than the plates with pseudoalteromonad-based paint. Our study demonstrates that no single laboratory assay can predict antifouling effects and that a combination of laboratory and real-life methods must be used to determine

  16. Influence of environmental changes on the biogeochemistry of arsenic in a soil polluted by the destruction of chemical weapons: A mesocosm study.

    Thouin, Hugues; Battaglia-Brunet, Fabienne; Norini, Marie-Paule; Le Forestier, Lydie; Charron, Mickael; Dupraz, Sébastien; Gautret, Pascale

    2018-06-15

    Thermal destruction of chemical munitions from World War I led to the formation of a heavily contaminated residue that contains an unexpected mineral association in which a microbial As transformation has been observed. A mesocosm study was conducted to assess the impact of water saturation episodes and input of bioavailable organic matter (OM) on pollutant behavior in relation to biogeochemical parameters. Over a period of about eight (8) months, the contaminated soil was subjected to cycles of dry and wet periods corresponding to water table level variations. After the first four (4) months, fragmented litter from the nearby forest was placed on top of the soil. The mesocosm solid phase was sampled by three rounds of coring: at the beginning of the experiment, after four (4) months (before the addition of OM), and at the end of the experiment. Scanning electron microscopy coupled to energy dispersive X-ray spectroscopy observations showed that an amorphous phase, which was the primary carrier of As, Zn, and Cu, was unstable under water-saturated conditions and released a portion of the contaminants in solution. Precipitation of a lead arsenate chloride mineral, mimetite, in soils within the water saturated level caused the immobilization of As and Pb. Mimetite is a durable trap because of its large stability domain; however, this precipitation was limited by a low Pb concentration inducing that high amounts of As remained in solution. The addition of forest litter modified the quantities and qualities of soil OM. Microbial As transformation was affected by the addition of OM, which increased the concentration of both As(III)-oxidizing and As(V)-reducing microorganisms. The addition of OM negatively impacted the As(III) oxidizing rate, however As(III) oxidation was still the dominant reaction in accordance with the formation of arsenate-bearing minerals. Copyright © 2018 Elsevier B.V. All rights reserved.

  17. Continuum multiple-scattering approach to electron-molecule scattering and molecular photoionization

    Dehmer, J.L.; Dill, D.

    1979-01-01

    The multiple-scattering approach to the electronic continuum of molecules is described. The continuum multiple-scattering model (CMSM) was developed as a survey tool and, as such was required to satisfy two requirements. First, it had to have a very broad scope, which means (i) molecules of arbitrary geometry and complexity containing any atom in the periodic system, (ii) continuum electron energies from 0-1000 eV, and (iii) capability to treat a large range of processes involving both photoionization and electron scattering. Second, the structure of the theory was required to lend itself to transparent, physical interpretation of major spectral features such as shape resonances. A comprehensive theoretical framework for the continuum multiple scattering method is presented, as well as its applications to electron-molecule scattering and molecular photoionization. Highlights of recent applications in these two areas are reviewed. The major impact of the resulting studies over the last few years has been to establish the importance of shape resonances in electron collisions and photoionization of practically all (non-hydride) molecules

  18. Using environmental DNA to census marine fishes in a large mesocosm.

    Ryan P Kelly

    Full Text Available The ocean is a soup of its resident species' genetic material, cast off in the forms of metabolic waste, shed skin cells, or damaged tissue. Sampling this environmental DNA (eDNA is a potentially powerful means of assessing whole biological communities, a significant advance over the manual methods of environmental sampling that have historically dominated marine ecology and related fields. Here, we estimate the vertebrate fauna in a 4.5-million-liter mesocosm aquarium tank at the Monterey Bay Aquarium of known species composition by sequencing the eDNA from its constituent seawater. We find that it is generally possible to detect mitochondrial DNA of bony fishes sufficient to identify organisms to taxonomic family- or genus-level using a 106 bp fragment of the 12S ribosomal gene. Within bony fishes, we observe a low false-negative detection rate, although we did not detect the cartilaginous fishes or sea turtles present with this fragment. We find that the rank abundance of recovered eDNA sequences correlates with the abundance of corresponding species' biomass in the mesocosm, but the data in hand do not allow us to develop a quantitative relationship between biomass and eDNA abundance. Finally, we find a low false-positive rate for detection of exogenous eDNA, and we were able to diagnose non-native species' tissue in the food used to maintain the mesocosm, underscoring the sensitivity of eDNA as a technique for community-level ecological surveys. We conclude that eDNA has substantial potential to become a core tool for environmental monitoring, but that a variety of challenges remain before reliable quantitative assessments of ecological communities in the field become possible.

  19. Microzooplankton grazing and phytoplankton growth in marine mesocosms with increased CO2 levels

    Y. Carotenuto

    2008-08-01

    Full Text Available Microzooplankton grazing and algae growth responses to increasing pCO2 levels (350, 700 and 1050 μatm were investigated in nitrate and phosphate fertilized mesocosms during the PeECE III experiment 2005. Grazing and growth rates were estimated by the dilution technique combined with taxon specific HPLC pigment analysis. Microzooplankton composition was determined by light microscopy. Despite a range of up to 3 times the present CO2 levels, there were no clear differences in any measured parameter between the different CO2 treatments. During days 3–9 of the experiment the algae community standing stock, measured as chlorophyll a (Chl-a, showed the highest instantaneous grow rates (k=0.37–0.99 d−1 and increased from ca. 2–3 to 6–12 μg l−1, in all mesocosms. Afterwards the phytoplankton standing stock decreased in all mesocosms until the end of the experiment. The microzooplankton standing stock, that was mainly constituted by dinoflagellates and ciliates, varied between 23 and 130 μg C l−1 (corresponding to 1.9 and 10.8 μmol C l−1, peaking on day 13–15, apparently responding to the phytoplankton development. Instantaneous Chl-a growth rates were generally higher than the grazing rates, indicating only a limited overall effect of microzooplankton grazing on the most dominant phytoplankton. Diatoms and prymnesiophytes were significantly grazed (12–43% of the standing stock d−1 only in the pre-bloom phase when they were in low numbers, and in the post-bloom phase when they were already affected by low nutrients and/or viral lysis. The cyanobacteria populations appeared more affected by microzooplankton grazing which generally removed 20–65% of the standing stock per day.

  20. Food web effects of titanium dioxide nanoparticles in an outdoor freshwater mesocosm experiment.

    Jovanović, Boris; Bezirci, Gizem; Çağan, Ali Serhan; Coppens, Jan; Levi, Eti E; Oluz, Zehra; Tuncel, Eylül; Duran, Hatice; Beklioğlu, Meryem

    2016-09-01

    Over the course of 78 days, nine outdoor mesocosms, each with 1350 L capacity, were situated on a pontoon platform in the middle of a lake and exposed to 0 μg L(-1) TiO2, 25 μg L(-1) TiO2 or 250 μg L(-1) TiO2 nanoparticles in the form of E171 TiO2 human food additive five times a week. Mesocosms were inoculated with sediment, phytoplankton, zooplankton, macroinvertebrates, macrophytes and fish before exposure, ensuring a complete food web. Physicochemical parameters of the water, nutrient concentrations, and biomass of the taxa were monitored. Concentrations of 25 μg L(-1) TiO2 and 250 μg L(-1) TiO2 caused a reduction in available soluble reactive phosphorus in the mesocosms by 15 and 23%, respectively, but not in the amount of total phosphorus. The biomass of Rotifera was significantly reduced by 32 and 57% in the TiO2 25 μg L(-1) and TiO2 250 μg L(-1) treatments, respectively, when compared to the control; however, the biomass of the other monitored groups-Cladocera, Copepoda, phytoplankton, macrophytes, chironomids and fish-remained unaffected. In conclusion, environmentally relevant concentrations of TiO2 nanoparticles may negatively affect certain parameters and taxa of the freshwater lentic aquatic ecosystem. However, these negative effects are not significant enough to affect the overall function of the ecosystem, as there were no cascade effects leading to a major change in its trophic state or primary production.

  1. De-acidification of flooded lignite mining lakes by controlled eutrophication: mesocosm experiments

    Steinberg, C.E.W.; Totsche, O.; Fyson, A.; Brandenburgische Technische Univ. Cottbus; Nixdorf, B.

    2000-01-01

    Mesocosm experiments with Tagebausee water overlying Tagebausee sediment indicate that without continued inflow of groundwater, some acidity will likely be removed (through Fe(OH) 3 precipitation). Alkalinity production can be greatly enhanced through addition of organic wastes containing decomposible organic carbon and nutrients. Once neutral conditions are achieved, they can be maintained without additional acid inputs through sustained C input (through photosynthesis) and enhanced geochemical cycling to maintain nutrient supply (e.g. P). The role of algal and bacterial growth in acidity/alkalinity balance are currently under investigation. (orig.)

  2. Off-season biogenic volatile organic compound emissions from heath mesocosms

    Rinnan, Riikka; Gierth, Diana; Bilde, Merete

    2013-01-01

    herbivory, mimicked by cutting the plants. Mesocosms from a temperate Deschampsia flexuosa-dominated heath ecosystem and a subarctic mixed heath ecosystem were either left intact, the aboveground vegetation was cut, or all plant parts (including roots) were removed. For 3-5 weeks, BVOC emissions were...... measured in growth chambers by an enclosure method using gas chromatography-mass spectrometry. CO2 exchange, soil microbial biomass and soil carbon and nitrogen concentrations were also analyzed. Vegetation cutting increased BVOC emissions by more than 20-fold, and the induced compounds were mainly eight...

  3. A novel marine mesocosm facility to study global warming, water quality, and ocean acidification

    Duarte, Gustavo; Calderon, Emiliano N.; Pereira, Cristiano M.; Marangoni, Laura F. B.; Santos, Henrique F.; Peixoto, Raquel S.; Bianchini, Adalto; Castro, Clovis B.

    2015-01-01

    Abstract We describe a completely randomizable flow?through outdoor mesocosm for climate change and ecotoxicology studies that was built with inexpensive materials. The 16 raceway tanks allow up to 6? water renewal per hour, avoiding changes in natural abiotic seawater conditions. We use an open?source hardware board (Arduino) that was adapted to control heaters and an innovative CO 2 injection system. This system reduced seawater pH up to ?0.9 units and increased temperature up to +6?C in th...

  4. Nanotubule and Tour Molecule Based Molecular Electronics: Suggestion for a Hybrid Approach

    Srivastava, Deepak; Saini, Subhash (Technical Monitor)

    1998-01-01

    Recent experimental and theoretical attempts and results indicate two distinct broad pathways towards future molecular electronic devices and architectures. The first is the approach via Tour type ladder molecules and their junctions which can be fabricated with solution phase chemical approaches. Second are fullerenes or nanotubules and their junctions which may have better conductance, switching and amplifying characteristics but can not be made through well controlled and defined chemical means. A hybrid approach combining the two pathways to take advantage of the characteristics of both is suggested. Dimension and scale of such devices would be somewhere in between isolated molecule and nanotubule based devices but it maybe possible to use self-assembly towards larger functional and logicalunits.

  5. Confinement effects on electron and phonon degrees of freedom in nanofilm superconductors: A Green function approach

    Saniz, R.; Partoens, B.; Peeters, F. M.

    2013-02-01

    The Green function approach to the Bardeen-Cooper-Schrieffer theory of superconductivity is used to study nanofilms. We go beyond previous models and include effects of confinement on the strength of the electron-phonon coupling as well as on the electronic spectrum and on the phonon modes. Within our approach, we find that in ultrathin films, confinement effects on the electronic screening become very important. Indeed, contrary to what has been advanced in recent years, the sudden increases of the density of states when new bands start to be occupied as the film thickness increases, tend to suppress the critical temperature rather than to enhance it. On the other hand, the increase of the number of phonon modes with increasing number of monolayers in the film leads to an increase in the critical temperature. As a consequence, the superconducting critical parameters in such nanofilms are determined by these two competing effects. Furthermore, in sufficiently thin films, the condensate consists of well-defined subcondensates associated with the occupied bands, each with a distinct coherence length. The subcondensates can interfere constructively or destructively giving rise to an interference pattern in the Cooper pair probability density.

  6. Coupled forward-backward trajectory approach for nonequilibrium electron-ion dynamics

    Sato, Shunsuke A.; Kelly, Aaron; Rubio, Angel

    2018-04-01

    We introduce a simple ansatz for the wave function of a many-body system based on coupled forward and backward propagating semiclassical trajectories. This method is primarily aimed at, but not limited to, treating nonequilibrium dynamics in electron-phonon systems. The time evolution of the system is obtained from the Euler-Lagrange variational principle, and we show that this ansatz yields Ehrenfest mean-field theory in the limit that the forward and backward trajectories are orthogonal, and in the limit that they coalesce. We investigate accuracy and performance of this method by simulating electronic relaxation in the spin-boson model and the Holstein model. Although this method involves only pairs of semiclassical trajectories, it shows a substantial improvement over mean-field theory, capturing quantum coherence of nuclear dynamics as well as electron-nuclear correlations. This improvement is particularly evident in nonadiabatic systems, where the accuracy of this coupled trajectory method extends well beyond the perturbative electron-phonon coupling regime. This approach thus provides an attractive route forward to the ab initio description of relaxation processes, such as thermalization, in condensed phase systems.

  7. Theoretical study of molecular vibrations in electron momentum spectroscopy experiments on furan: An analytical versus a molecular dynamical approach

    Morini, Filippo; Deleuze, Michael S.; Watanabe, Noboru; Takahashi, Masahiko

    2015-01-01

    The influence of thermally induced nuclear dynamics (molecular vibrations) in the initial electronic ground state on the valence orbital momentum profiles of furan has been theoretically investigated using two different approaches. The first of these approaches employs the principles of Born-Oppenheimer molecular dynamics, whereas the so-called harmonic analytical quantum mechanical approach resorts to an analytical decomposition of contributions arising from quantized harmonic vibrational eigenstates. In spite of their intrinsic differences, the two approaches enable consistent insights into the electron momentum distributions inferred from new measurements employing electron momentum spectroscopy and an electron impact energy of 1.2 keV. Both approaches point out in particular an appreciable influence of a few specific molecular vibrations of A 1 symmetry on the 9a 1 momentum profile, which can be unravelled from considerations on the symmetry characteristics of orbitals and their energy spacing

  8. Electron-impact ionization of oriented molecules using the time-dependent close-coupling approach

    Colgan, J [Theoretical Division, Los Alamos National Laboratory, Los Alamos, NM 87545 (United States); Pindzola, M S, E-mail: jcolgan@lanl.gov [Department of Physics, Auburn University, Auburn, AL 36849 (United States)

    2011-04-01

    An overview is given on recent progress on computing triple differential cross sections for electron-impact ionization of the hydrogen molecule using a time-dependent close-coupling approach. Our calculations, when averaged over all molecular orientations, are generally in very good agreement with (e,2e) measurements made on H{sub 2}, where the molecular orientation is unknown, for a range of incident energies and outgoing electron angles and energies. In this paper, we present TDCS for ionization of H{sub 2} at specific molecular orientations. It is hoped that this study will help stimulate future measurements of TDCS from oriented H{sub 2} at medium impact energies.

  9. The electronic structure of molecules by a many-body approach. Pt. 1

    Niessen, W. von; Cederbaum, L.S.; Kraemer, W.P.

    1976-01-01

    The ionization potentials of benzene are studied by an ab initio many-body approach which includes the effects of electron correlation and reorganization beyond the one-particle approximation. The calculations confirm the assignment of the photoelectron spectrum experimentally proposed by Jonsson and Lindholm: 1esub(1g)(π), 2esub(2g), 1asub(2u)(π), 2esub(1u), 1bsub(2u), 1bsub(1u), 2asub(1g), 1esub(2g) in order of increasing binding energy. To definitely establish the ordering of the ionization potentials in the second band, which has been very controversial, the corresponding vibrational structure has been calculated. A number of one-electron properties are calculated in the one-particle approximation and compared to experimental work and other theoretical calculations. (orig.) [de

  10. Phase-space description of wave packet approach to electronic transport in nanoscale systems

    Szydłowski, D; Wołoszyn, M; Spisak, B J

    2013-01-01

    The dynamics of conduction electrons in resonant tunnelling nanosystems is studied within the phase-space approach based on the Wigner distribution function. The time evolution of the distribution function is calculated from the time-dependent quantum kinetic equation for which an effective numerical method is presented. Calculations of the transport properties of a double-barrier resonant tunnelling diode are performed to illustrate the proposed techniques. Additionally, analysis of the transient effects in the nanosystem is carried out and it is shown that for some range of the bias voltage the temporal variations of electronic current can take negative values. The explanation of this effect is based on the analysis of the time changes of the Wigner distribution function. The decay time of the temporal current oscillations in the nanosystem as a function of the bias voltage is determined. (paper)

  11. A real-space stochastic density matrix approach for density functional electronic structure.

    Beck, Thomas L

    2015-12-21

    The recent development of real-space grid methods has led to more efficient, accurate, and adaptable approaches for large-scale electrostatics and density functional electronic structure modeling. With the incorporation of multiscale techniques, linear-scaling real-space solvers are possible for density functional problems if localized orbitals are used to represent the Kohn-Sham energy functional. These methods still suffer from high computational and storage overheads, however, due to extensive matrix operations related to the underlying wave function grid representation. In this paper, an alternative stochastic method is outlined that aims to solve directly for the one-electron density matrix in real space. In order to illustrate aspects of the method, model calculations are performed for simple one-dimensional problems that display some features of the more general problem, such as spatial nodes in the density matrix. This orbital-free approach may prove helpful considering a future involving increasingly parallel computing architectures. Its primary advantage is the near-locality of the random walks, allowing for simultaneous updates of the density matrix in different regions of space partitioned across the processors. In addition, it allows for testing and enforcement of the particle number and idempotency constraints through stabilization of a Feynman-Kac functional integral as opposed to the extensive matrix operations in traditional approaches.

  12. A new approach in the development of quality management systems for (micro)electronics

    Bacivarov, Ioan C.; Bacivarov, Angelica; Gherghina, Cǎtǎlina

    2016-12-01

    This paper presents the new approach in the analysis of the Quality Management Systems (QMS) of companies, based on the revised standard ISO 9001:2015. In the first part of the paper, QMS based on ISO 9001 certification are introduced; the changes and the updates proposed for the new version of ISO 9001:2015 are critically analyzed, based on the documents elaborated by ISO/TC 176. The approach based on ISO 9001:2015 could be considered as "beginning of a new era in development of quality management systems". A comparison between the between the "old" standard ISO 9001:2008 and the "new" standard ISO 9001:2015 is made. In the second part of the paper, steps to be followed in a company to implement this new standard are presented. A peculiar attention is given to the new concept of risk-based thinking in order to support and improve application of the process based approach. The authors conclude that, by considering risk throughout the organization the likelihood of achieving stated objectives is improved, output is more consistent and customers can be confident that they will receive the expected results. Finally, the benefits of the new approach in the development of quality management systems are outlined, as well as how they are reflected in the management of companies in general and those in electronics field, in particular. As demonstrated in this paper, well understood and properly applied, the new approach based on the revised standard ISO9001:2015 could offer a better quality management for companies operating in electronics and beyond.

  13. Effects of increased zooplankton biomass on phytoplankton and cyanotoxins: A tropical mesocosm study.

    Dos Santos Severiano, Juliana; Dos Santos Almeida-Melo, Viviane Lúcia; Bittencourt-Oliveira, Maria do Carmo; Chia, Mathias Ahii; do Nascimento Moura, Ariadne

    2018-01-01

    Zooplankton are important biocontrol agents for algal blooms in temperate lakes, while their potential in tropical and subtropical environments is not well understood. The aim of the present study was to evaluate the influence of increased zooplankton biomass on phytoplankton community and cyanotoxins (microcystins and saxitoxin) content of a tropical reservoir (Ipojuca reservoir, Brazil) using in situ mesocosms. Mesocosms consisted of 50L transparent polyethylene bags suspended in the reservoir for twelve days. Phytoplankton populations were exposed to treatments having 1 (control), 2, 3 and 4 times the biomass of zooplankton found in the reservoir at the beginning of the experiment. Filamentous cyanobacteria such as Planktothrix agardhii and Cylindrospermopsis raciborskii were not negatively influenced by increasing zooplankton biomass. In contrast, the treatments with 3 and 4 times zooplankton biomass negatively affected the cyanobacteria Aphanocapsa sp., Chroococcus sp., Dolichospermum sp., Merismopedia tenuissima, Microcystis aeruginosa and Pseudanabaena sp.; the diatom Cyclotella meneghiniana; and the cryptophyte Cryptomonas sp. Total microcystin concentration both increased and decreased at different times depending on zooplankton treatment, while saxitoxin level was not significantly different between the treatments and control. The results of the present study suggest that zooplankton biomass can be manipulated to control the excessive proliferation of non-filamentous bloom forming cyanobacteria (e.g. M. aeruginosa) and their associated cyanotoxins. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Microbial consortia in mesocosm bioremediation trial using oil sorbents, slow-release fertilizer and bioaugmentation.

    Gertler, Christoph; Gerdts, Gunnar; Timmis, Kenneth N; Golyshin, Peter N

    2009-08-01

    An experimental prototype oil boom including oil sorbents, slow-release fertilizers and biomass of the marine oil-degrading bacterium, Alcanivorax borkumensis, was applied for sorption and degradation of heavy fuel oil in a 500-L mesocosm experiment. Fingerprinting of DNA and small subunit rRNA samples for microbial activity conducted to study the changes in microbial communities of both the water body and on the oil sorbent surface showed the prevalence of A. borkumensis on the surface of the oil sorbent. Growth of this obligate oil-degrading bacterium on immobilized oil coincided with a 30-fold increase in total respiration. A number of DNA and RNA signatures of aromatic hydrocarbon-degrading bacteria were detected both in samples of water body and on oil sorbent. Ultimately, the heavy fuel oil in this mesocosm study was effectively removed from the water body. This is the first study to successfully investigate the fate of oil-degrading microbial consortia in an experimental prototype for a bioremediation strategy in offshore, coastal or ship-bound oil spill mitigation using a combination of mechanical and biotechnological techniques.

  15. Structural and functional responses of benthic invertebrates to imidacloprid in outdoor stream mesocosms

    Pestana, J.L.T.; Alexander, A.C.; Culp, J.M.; Baird, D.J.; Cessna, A.J.; Soares, A.M.V.M.

    2009-01-01

    Structural and functional responses of a benthic macroinvertebrate assemblage to pulses of the insecticide imidacloprid were assessed in outdoor stream mesocosms. Imidacloprid pulses reduced invertebrate abundance and community diversity in imidacloprid-dosed streams compared to control streams. These results correlated well with effects of imidacloprid on leaf litter decomposition and feeding rates of Pteronarcys comstocki, a stonefly, in artificial streams. Reductions in oxygen consumption of stoneflies exposed to imidacloprid were also observed in laboratory experiments. Our findings suggest that leaf litter degradation and single species responses can be sensitive ecotoxicological endpoints that can be used as early warning indicators and biomonitoring tools for pesticide contamination. The data generated illustrates the value of mesocosm experiments in environmental assessment and how the consideration of functional and structural endpoints of natural communities together with in situ single species bioassays can improve the evaluation and prediction of pesticide effects on stream ecosystems. - Combining organism-level responses with community-level processes for the evaluation and prediction of pesticide effects on stream ecosystems.

  16. Structural and functional responses of benthic invertebrates to imidacloprid in outdoor stream mesocosms

    Pestana, J.L.T., E-mail: jpestana@ua.p [CESAM and Departamento de Biologia, Universidade de Aveiro, Campus Universitario de Santiago, 3810-193 Aveiro (Portugal); Environment Canada at Canadian Rivers Institute, Department of Biology, University of New Brunswick, 10 Bailey Drive, Fredericton, NB (Canada); Alexander, A.C., E-mail: alexa.alexander@unb.c [Environment Canada at Canadian Rivers Institute, Department of Biology, University of New Brunswick, 10 Bailey Drive, Fredericton, NB (Canada); Culp, J.M., E-mail: jculp@unb.c [Environment Canada at Canadian Rivers Institute, Department of Biology, University of New Brunswick, 10 Bailey Drive, Fredericton, NB (Canada); Baird, D.J., E-mail: djbaird@unb.c [Environment Canada at Canadian Rivers Institute, Department of Biology, University of New Brunswick, 10 Bailey Drive, Fredericton, NB (Canada); Cessna, A.J., E-mail: asoares@ua.p [Environment Canada, National Hydrology Research Centre, 11 Innovation Boulevard, Saskatoon, SK (Canada); Soares, A.M.V.M., E-mail: asoares@ua.p [CESAM and Departamento de Biologia, Universidade de Aveiro, Campus Universitario de Santiago, 3810-193 Aveiro (Portugal)

    2009-08-15

    Structural and functional responses of a benthic macroinvertebrate assemblage to pulses of the insecticide imidacloprid were assessed in outdoor stream mesocosms. Imidacloprid pulses reduced invertebrate abundance and community diversity in imidacloprid-dosed streams compared to control streams. These results correlated well with effects of imidacloprid on leaf litter decomposition and feeding rates of Pteronarcys comstocki, a stonefly, in artificial streams. Reductions in oxygen consumption of stoneflies exposed to imidacloprid were also observed in laboratory experiments. Our findings suggest that leaf litter degradation and single species responses can be sensitive ecotoxicological endpoints that can be used as early warning indicators and biomonitoring tools for pesticide contamination. The data generated illustrates the value of mesocosm experiments in environmental assessment and how the consideration of functional and structural endpoints of natural communities together with in situ single species bioassays can improve the evaluation and prediction of pesticide effects on stream ecosystems. - Combining organism-level responses with community-level processes for the evaluation and prediction of pesticide effects on stream ecosystems.

  17. A novel marine mesocosm facility to study global warming, water quality, and ocean acidification.

    Duarte, Gustavo; Calderon, Emiliano N; Pereira, Cristiano M; Marangoni, Laura F B; Santos, Henrique F; Peixoto, Raquel S; Bianchini, Adalto; Castro, Clovis B

    2015-10-01

    We describe a completely randomizable flow-through outdoor mesocosm for climate change and ecotoxicology studies that was built with inexpensive materials. The 16 raceway tanks allow up to 6× water renewal per hour, avoiding changes in natural abiotic seawater conditions. We use an open-source hardware board (Arduino) that was adapted to control heaters and an innovative CO 2 injection system. This system reduced seawater pH up to -0.9 units and increased temperature up to +6°C in three treatments and a control. Treatments can be continuously compared with the control and vary according to diel fluctuations, thus following the diel range observed in the sea. The mesocosm facility also includes an integrated secondary system of 48 aquaria for ecotoxicology studies. We validated the reproducibility and relevance of our experimental system by analyzing the variation of the total DNA of the microbial community extracted from corals in three elevated temperature scenarios during a 40-day experiment. We also present data from temperature, acidification, and copper contamination trials, which allowed continuous, reliable, and consistent treatment manipulations.

  18. Effects of predicted climatic changes on distribution of organic contaminants in brackish water mesocosms.

    Ripszam, M; Gallampois, C M J; Berglund, Å; Larsson, H; Andersson, A; Tysklind, M; Haglund, P

    2015-06-01

    Predicted consequences of future climate change in the northern Baltic Sea include increases in sea surface temperatures and terrestrial dissolved organic carbon (DOC) runoff. These changes are expected to alter environmental distribution of anthropogenic organic contaminants (OCs). To assess likely shifts in their distributions, outdoor mesocosms were employed to mimic pelagic ecosystems at two temperatures and two DOC concentrations, current: 15°C and 4 mg DOCL(-1) and, within ranges of predicted increases, 18°C and 6 mg DOCL(-1), respectively. Selected organic contaminants were added to the mesocosms to monitor changes in their distribution induced by the treatments. OC partitioning to particulate matter and sedimentation were enhanced at the higher DOC concentration, at both temperatures, while higher losses and lower partitioning of OCs to DOC were observed at the higher temperature. No combined effects of higher temperature and DOC on partitioning were observed, possibly because of the balancing nature of these processes. Therefore, changes in OCs' fates may largely depend on whether they are most sensitive to temperature or DOC concentration rises. Bromoanilines, phenanthrene, biphenyl and naphthalene were sensitive to the rise in DOC concentration, whereas organophosphates, chlorobenzenes (PCBz) and polychlorinated biphenyls (PCBs) were more sensitive to temperature. Mitotane and diflufenican were sensitive to both temperature and DOC concentration rises individually, but not in combination. Copyright © 2015 Elsevier B.V. All rights reserved.

  19. Stepwise approach to establishing multiple outreach laboratory information system-electronic medical record interfaces.

    Pantanowitz, Liron; Labranche, Wayne; Lareau, William

    2010-05-26

    Clinical laboratory outreach business is changing as more physician practices adopt an electronic medical record (EMR). Physician connectivity with the laboratory information system (LIS) is consequently becoming more important. However, there are no reports available to assist the informatician with establishing and maintaining outreach LIS-EMR connectivity. A four-stage scheme is presented that was successfully employed to establish unidirectional and bidirectional interfaces with multiple physician EMRs. This approach involves planning (step 1), followed by interface building (step 2) with subsequent testing (step 3), and finally ongoing maintenance (step 4). The role of organized project management, software as a service (SAAS), and alternate solutions for outreach connectivity are discussed.

  20. Deep learning-based subdivision approach for large scale macromolecules structure recovery from electron cryo tomograms.

    Xu, Min; Chai, Xiaoqi; Muthakana, Hariank; Liang, Xiaodan; Yang, Ge; Zeev-Ben-Mordehai, Tzviya; Xing, Eric P

    2017-07-15

    Cellular Electron CryoTomography (CECT) enables 3D visualization of cellular organization at near-native state and in sub-molecular resolution, making it a powerful tool for analyzing structures of macromolecular complexes and their spatial organizations inside single cells. However, high degree of structural complexity together with practical imaging limitations makes the systematic de novo discovery of structures within cells challenging. It would likely require averaging and classifying millions of subtomograms potentially containing hundreds of highly heterogeneous structural classes. Although it is no longer difficult to acquire CECT data containing such amount of subtomograms due to advances in data acquisition automation, existing computational approaches have very limited scalability or discrimination ability, making them incapable of processing such amount of data. To complement existing approaches, in this article we propose a new approach for subdividing subtomograms into smaller but relatively homogeneous subsets. The structures in these subsets can then be separately recovered using existing computation intensive methods. Our approach is based on supervised structural feature extraction using deep learning, in combination with unsupervised clustering and reference-free classification. Our experiments show that, compared with existing unsupervised rotation invariant feature and pose-normalization based approaches, our new approach achieves significant improvements in both discrimination ability and scalability. More importantly, our new approach is able to discover new structural classes and recover structures that do not exist in training data. Source code freely available at http://www.cs.cmu.edu/∼mxu1/software . mxu1@cs.cmu.edu. Supplementary data are available at Bioinformatics online. © The Author 2017. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com

  1. Electron cyclotron waves transmission: new approach for the characterization of electron distribution functions in Tokamak hot plasmas

    Michelot, Y.

    1995-10-01

    Fast electrons are one of the basic ingredients of plasma operations in many existing thermonuclear fusion research devices. However, the understanding of fast electrons dynamics during creation and sustainment of the superthermal electrons tail is far for being satisfactory. For this reason, the Electron Cyclotron Transmission (ECT) diagnostic was implemented on Tore Supra tokamak. It consists on a microwave transmission system installed on a vertical chord crossing the plasma center and working in the frequency range 77-109 GHz. Variations of the wave amplitude during the propagation across the plasma may be due to refraction and resonant absorption. For the ECT, the most common manifestation of refraction is a reduction of the received power density with respect to the signal detected in vacuum, due to the spreading and deflection of the wave beam. Wave absorption is observed in the vicinity of the electron cyclotron harmonics and may be due both to thermal plasma and to superthermal electron tails. It has a characteristic frequency dependence due to the relativistic mass variation in the wave-electron resonance condition. This thesis presents the first measurements of: the extraordinary mode optical depth at the third harmonics, the electron temperature from the width of a cyclotron absorption line and the relaxation times of the electron distribution during lower hybrid current drive from the ordinary mode spectral superthermal absorption line at the first harmonic. (J.S.). 175 refs., 110 figs., 9 tabs., 3 annexes

  2. Analytical approach to phonons and electron-phonon interactions in single-walled zigzag carbon nanotubes

    Kandemir, B S; Keskin, M [Department of Physics, Faculty of Sciences, Ankara University, 06100 Tandogan, Ankara (Turkey)

    2008-08-13

    In this paper, exact analytical expressions for the entire phonon spectra in single-walled carbon nanotubes with zigzag geometry are presented by using a new approach, originally developed by Kandemir and Altanhan. This approach is based on the concept of construction of a classical lattice Hamiltonian of single-walled carbon nanotubes, wherein the nearest and next nearest neighbor and bond bending interactions are all included, then its quantization and finally diagonalization of the resulting second quantized Hamiltonian. Furthermore, within this context, explicit analytical expressions for the relevant electron-phonon interaction coefficients are also investigated for single-walled carbon nanotubes having this geometry, by the phonon modulation of the hopping interaction.

  3. Analytical approach to phonons and electron-phonon interactions in single-walled zigzag carbon nanotubes

    Kandemir, B S; Keskin, M

    2008-01-01

    In this paper, exact analytical expressions for the entire phonon spectra in single-walled carbon nanotubes with zigzag geometry are presented by using a new approach, originally developed by Kandemir and Altanhan. This approach is based on the concept of construction of a classical lattice Hamiltonian of single-walled carbon nanotubes, wherein the nearest and next nearest neighbor and bond bending interactions are all included, then its quantization and finally diagonalization of the resulting second quantized Hamiltonian. Furthermore, within this context, explicit analytical expressions for the relevant electron-phonon interaction coefficients are also investigated for single-walled carbon nanotubes having this geometry, by the phonon modulation of the hopping interaction

  4. A Study on Technology Architecture and Serving Approaches of Electronic Government System

    Liu, Chunnian; Huang, Yiyun; Pan, Qin

    As E-government becomes a very active research area, a lot of solutions to solve citizens' needs are being deployed. This paper provides technology architecture of E-government system and approaches of service in Public Administrations. The proposed electronic system addresses the basic E-government requirements of user friendliness, security, interoperability, transparency and effectiveness in the communication between small and medium sized public organizations and their citizens, businesses and other public organizations. The paper has provided several serving approaches of E-government, which includes SOA, web service, mobile E-government, public library and every has its own characteristics and application scenes. Still, there are a number of E-government issues for further research on organization structure change, including research methodology, data collection analysis, etc.

  5. A new neutron interferometry approach in the determination of the neutron-electron interaction amplitude

    Ioffe, A

    2002-01-01

    A new experimental approach in the determination of the neutron-electron interaction amplitude is proposed. The main idea of this approach is to use a perfect-crystal neutron interferometer as both a sample and a device for the measurement of the extra phase shift caused by the neutron interaction with atoms of Si. Indeed, such a sample (an interferometer blade) has a well-known atomic density and is a priori perfectly aligned with respect to the crystal lattice of the interferometer crystal. This results in the minimization of systematic errors caused by sample alignment and increases the overall experimental accuracy. Some theoretic estimations and details of an experimental setup are discussed. (orig.)

  6. Uranium fate in wetland mesocosms: Effects of plants at two iron loadings with different pH values

    Small-scale continuous flow wetland mesocosms (~0.8 L) were used to evaluate how plant roots under different iron loadings affect uranium (U) mobility. When significant concentrations of ferrous iron (Fe) were present at circumneutral pH values, U concentrations in root exposed ...

  7. The use of terrestrial and aquatic microcosms and mesocosms for the ecological risk assessment of veterinary medicinal products

    Brink, van den P.J.; Tarzona, J.V.; Solomon, K.R.; Knacker, T.; Brink, van den N.W.; Brock, T.C.M.; Hoogland, J.P.

    2005-01-01

    In this paper, we investigate the applicability of experimental model ecosystems (microcosms and mesocosms) for the ecological risk assessment of veterinary medicinal products (VMPs). VMPs are used in large quantities, but the assessment of associated risks to the environment is limited, although

  8. The effects of ultraviolet radiation on the planktonic community of a shallow, eutrophic estuary: results of mesocosm experiments

    Forster, R.M.; Schubert, H.

    2001-01-01

    This paper describes the results of pelagic mesocosm experiments designed to test the effects of enhanced and reduced ultraviolet radiation (UV) on the planktonic community of a Baltic Sea estuary. The Darss-Zingst estuary consists of a series of brackish lagoons with high concentrations of

  9. Marine CDOM accumulation during a coastal Arctic mesocosm experiment: No response to elevated pCO2 levels

    Pavlov, A.K.; Silyakova, A.; Granskog, M.A.; Bellerby, R.G.J.; Engel, A.; Schulz, K.G.; Brussaard, C.P.D.

    2014-01-01

    A large-scale multidisciplinary mesocosm experiment in an Arctic fjord (Kongsfjorden, Svalbard; 78°56.2′N) was used to study Arctic marine food webs and biogeochemical elements cycling at natural and elevated future carbon dioxide (CO2) levels. At the start of the experiment, marine-derived

  10. Continental-scale patterns of nutrient and fish effects on shallow lakes: synthesis of a pan-European mesocosm experiment

    Moss, B.; Stephen, D.; Balayla, D.; Bécares, E.; Collings, S.E.; Fernández-Aláez, C.; Fernández-Aláez, M.; Ferriol, C.; García, P.; Gomá, J.; Gyllström, M.; Hansson, L-A.; Hietala, J.; Kairesalo, T.; Rosa Miracle, M.; Romo, S.; Rueda, J.; Russell, V.; Ståhl-Delbanco, A.; Svensson, M.; Vakkilainen, K.; Valentín, M.; van de Bund, W.; Van Donk, E.; Vicente, E.; Villena, M.J.

    2004-01-01

    1. Results are analysed from 11 experiments in which effects of fish addition and nutrient loading on shallow lakes were studied in mesocosms. The experiments, five in 1998, six in 1999, were carried out in six lakes, distributed from Finland to southern Spain, according to a standard protocol. 2.

  11. Responses of phytoplankton to fish predation and nutrient loading in shallow lakes: a pan-European mesocosm experiment

    van de Bund, W.; Romo, S.; Villena, M.J.; Valentín, M.; Van Donk, E.; Vicente, E.; Vakkilainen, K.; Svensson, M.; Stephen, D.; Ståhl-Delbanco, A.; Rueda, J.; Moss, B.; Rosa Miracle, M.; Kairesalo, T.; Hansson, L-A.; Hietala, J.; Gyllström, M.; Goma, J.; García, P.; Fernández-Aláez, M.; Fernández-Aláez, C.; Ferriol, C.; Collings, S.E.; Bécares, E.; Balayla, D.; Alfonso, T.

    2004-01-01

    1. The impacts of nutrients (phosphorus and nitrogen) and planktivorous fish on phytoplankton composition and biomass were studied in six shallow, macrophyte-dominated lakes across Europe using mesocosm experiments. 2. Phytoplankton biomass was more influenced by nutrients than by densities of

  12. EFFECTS OF ELEVATED CO2 AND TEMPERATURE ON SOIL CARBON DENSITY FRACTIONS IN A DOUGLAS FIR MESOCOSM STUDY

    We conducted a 4-year full-factorial study of the effects of elevated atmospheric CO2 and temperature on Douglas fir seedlings growing in reconstructed native forest soils in mesocosms. The elevated CO2 treatment was ambient CO2 plus 200 ppm CO2. The elevated temperature treatm...

  13. Are rocky shore ecosystems affected by nutrient-enriched seawater? Some preliminary results from a mesocosm experiment

    Bokn, T.L.; Moy, F.E.; Christie, H.; Engelbert, S.; Karez, R.; Kersting, K.; Kraufvelin, P.; Lindblad, C.; Marba, N.; Pedersen, M.F.; Sorensen, K.

    2002-01-01

    The response of rocky shore ecosystems to increased nutrient availability was examined in eight land-based mesocosms designed for hard-bottom littoral communities built at Marine Research Station Solbergstrand (Norway). The average seawater volume in each basin was 9 m3 with an average water

  14. RESPONSES OF MOLECULAR INDICATORS OF EXPOSURE IN MESOCOSMS: COMMON CARP (CYPRINUS CARPIO) EXPOSED TO THE HERBICIDES ALACHLOR AND ATRAZINE

    Common carp (Cyprinus carpio) were treated in aquatic mesocosms with a single pulse of the herbicides atrazine or alachlor to study the bioavailability and biological activity of these herbicides using molecular indicators: Liver vitellogenin gene expression in male fish for estr...

  15. Mesocosm validation of the marine No Effect Concentration of dissolved copper derived from a species sensivity distribution

    Foekema, E.M.; Kaag, N.H.B.M.; Kramer, K.J.M.; Long, K.

    2015-01-01

    The Predicted No Effect Concentration (PNEC) for dissolved copper based on the species sensitivity distribution (SSD) of 24 marine single species tests was validated in marine mesocosms. To achieve this, the impact of actively maintained concentrations of dissolved copper on a marine benthic and

  16. Deducing Electronic Unit Internal Response During a Vibration Test Using a Lumped Parameter Modeling Approach

    Van Dyke, Michael B.

    2014-01-01

    During random vibration testing of electronic boxes there is often a desire to know the dynamic response of certain internal printed wiring boards (PWBs) for the purpose of monitoring the response of sensitive hardware or for post-test forensic analysis in support of anomaly investigation. Due to restrictions on internally mounted accelerometers for most flight hardware there is usually no means to empirically observe the internal dynamics of the unit, so one must resort to crude and highly uncertain approximations. One common practice is to apply Miles Equation, which does not account for the coupled response of the board in the chassis, resulting in significant over- or under-prediction. This paper explores the application of simple multiple-degree-of-freedom lumped parameter modeling to predict the coupled random vibration response of the PWBs in their fundamental modes of vibration. A simple tool using this approach could be used during or following a random vibration test to interpret vibration test data from a single external chassis measurement to deduce internal board dynamics by means of a rapid correlation analysis. Such a tool might also be useful in early design stages as a supplemental analysis to a more detailed finite element analysis to quickly prototype and analyze the dynamics of various design iterations. After developing the theoretical basis, a lumped parameter modeling approach is applied to an electronic unit for which both external and internal test vibration response measurements are available for direct comparison. Reasonable correlation of the results demonstrates the potential viability of such an approach. Further development of the preliminary approach presented in this paper will involve correlation with detailed finite element models and additional relevant test data.

  17. A novel approach to electron data background treatment in an online wide-angle spectrometer for laser-accelerated ion and electron bunches

    Lindner, F. H.; Bin, J. H.; Englbrecht, F.; Haffa, D.; Bolton, P. R.; Gao, Y.; Hartmann, J.; Hilz, P.; Kreuzer, C.; Ostermayr, T. M.; Rösch, T. F.; Speicher, M.; Parodi, K.; Thirolf, P. G.; Schreiber, J.

    2018-01-01

    Laser-based ion acceleration is driven by electrical fields emerging when target electrons absorb laser energy and consecutively leave the target material. A direct correlation between these electrons and the accelerated ions is thus to be expected and predicted by theoretical models. We report on a modified wide-angle spectrometer, allowing the simultaneous characterization of angularly resolved energy distributions of both ions and electrons. Equipped with online pixel detectors, the RadEye1 detectors, the investigation of this correlation gets attainable on a single shot basis. In addition to first insights, we present a novel approach for reliably extracting the primary electron energy distribution from the interfering secondary radiation background. This proves vitally important for quantitative extraction of average electron energies (temperatures) and emitted total charge.

  18. Experimental additions of aluminum sulfate and ammonium nitrate to in situ mesocosms to reduce cyanobacterial biovolume and microcystin concentration

    Harris, Ted D.; Wilhelm, Frank M.; Graham, Jennifer L.; Loftin, Keith A.

    2014-01-01

    Recent studies suggest that nitrogen additions to increase the total nitrogen:total phosphorus (TN:TP) ratio may reduce cyanobacterial biovolume and microcystin concentration in reservoirs. In systems where TP is >100 μg/L, however, nitrogen additions to increase the TN:TP ratio could cause ammonia, nitrate, or nitrite toxicity to terrestrial and aquatic organisms. Reducing phosphorus via aluminum sulfate (alum) may be needed prior to nitrogen additions aimed at increasing the TN:TP ratio. We experimentally tested this sequential management approach in large in situ mesocosms (70.7 m3) to examine effects on cyanobacteria and microcystin concentration. Because alum removes nutrients and most seston from the water column, alum treatment reduced both TN and TP, leaving post-treatment TN:TP ratios similar to pre-treatment ratios. Cyanobacterial biovolume was reduced after alum addition, but the percent composition (i.e., relative) cyanobacterial abundance remained unchanged. A single ammonium nitrate (nitrogen) addition increased the TN:TP ratio 7-fold. After the TN:TP ratio was >50 (by weight), cyanobacterial biovolume and abundance were reduced, and chrysophyte and cryptophyte biovolume and abundance increased compared to the alum treatment. Microcystin was not detectable until the TN:TP ratio was <50. Although both treatments reduced cyanobacteria, only the nitrogen treatment seemed to stimulate energy flow from primary producers to zooplankton, which suggests that combining alum and nitrogen treatments may be a viable in-lake management strategy to reduce cyanobacteria and possibly microcystin concentrations in high-phosphorus systems. Additional studies are needed to define best management practices before combined alum and nitrogen additions are implemented as a reservoir management strategy.

  19. Practical Approaches to Mitigation of Specimen Charging in High-Resolution Transmission Electron Microscopy

    Young-Min Kim

    2010-09-01

    Full Text Available Specimen charging that is associated with the electron bombardment on the sample is a practical hindrance to high-resolution transmission electron microscopy (HRTEM analysis because it causes a severe loss of resolution in either diffraction or image data. Conductive thin film deposition on an insulating specimen has been proposed as an effective approach to the mitigation of the specimen charging; however, this method is generally not useful in HRTEM imaging of materials because the deposited film induces another artifact in the HRTEM image contrast. In this study, we propose practical methods to mitigate the specimen charging that takes place during the HRTEM of materials. For bulk-type specimens prepared by either an ion-thinning or focused-ion beam (FIB process, a plasma cleaning treatment is significantly effective in eliminating the charging phenomenon. In the case of low-dimensional nanomaterials such as nanowires and nanoparticles, the plasma cleaning is not feasible; however, the charging effect can be effectively eliminated by adjusting the electron illumination condition. The proposed methods facilitate a decrease in the buildup of specimen charging, thereby enhancing the quality of high-resolution images significantly.

  20. Entanglement transfer from electrons to photons in quantum dots: an open quantum system approach

    Budich, Jan C; Trauzettel, Bjoern

    2010-01-01

    We investigate entanglement transfer from a system of two spin-entangled electron-hole pairs, each placed in a separate single mode cavity, to the photons emitted due to cavity leakage. Dipole selection rules and a splitting between the light hole and the heavy hole subbands are the crucial ingredients establishing a one-to-one correspondence between electron spins and circular photon polarizations. To account for the measurement of the photons as well as dephasing effects, we choose a stochastic Schroedinger equation and a conditional master equation approach, respectively. The influence of interactions with the environment as well as asymmetries in the coherent couplings on the photon entanglement is analysed for two concrete measurement schemes. The first one is designed to violate the Clauser-Horne-Shimony-Holt (CHSH) inequality, while the second one employs the visibility of interference fringes to prove the entanglement of the photons. Because of the spatial separation of the entangled electronic system over two quantum dots, a successful verification of entangled photons emitted by this system would imply the detection of nonlocal spin entanglement of massive particles in a solid state structure.

  1. An analytic approach to 2D electronic PE spectra of molecular systems

    Szoecs, V.

    2011-01-01

    Graphical abstract: The three-pulse photon echo (3P-PE) spectra of finite molecular systems using direct calculation from electronic Hamiltonians allows peak classification from 3P-PE spectra dynamics. Display Omitted Highlights: → RWA approach to electronic photon echo. → A straightforward calculation of 2D electronic spectrograms in finite molecular systems. → Importance of population time dynamics in relation to inter-site coherent coupling. - Abstract: The three-pulse photon echo (3P-PE) spectra of finite molecular systems and simplified line broadening models is presented. The Fourier picture of a heterodyne detected three-pulse rephasing PE signal in the δ-pulse limit of the external field is derived in analytic form. The method includes contributions of one and two-excitonic states and allows direct calculation of Fourier PE spectrogram from corresponding Hamiltonian. As an illustration, the proposed treatment is applied to simple systems, e.g. 2-site two-level system (TLS) and n-site TLS model of photosynthetic unit. The importance of relation between Fourier picture of 3P-PE dynamics (corresponding to nonzero population time, T) and coherent inter-state coupling is emphasized.

  2. Digital contract approach for consistent and predictable multimedia information delivery in electronic commerce

    Konana, Prabhudev; Gupta, Alok; Whinston, Andrew B.

    1997-01-01

    A pure 'technological' solution to network quality problems is incomplete since any benefits from new technologies are offset by the demand from exponentially growing electronic commerce ad data-intensive applications. SInce an economic paradigm is implicit in electronic commerce, we propose a 'market-system' approach to improve quality of service. Quality of service for digital products takes on a different meaning since users view quality of service differently and value information differently. We propose a framework for electronic commerce that is based on an economic paradigm and mass-customization, and works as a wide-area distributed management system. In our framework, surrogate-servers act as intermediaries between information provides and end- users, and arrange for consistent and predictable information delivery through 'digital contracts.' These contracts are negotiated and priced based on economic principles. Surrogate servers pre-fetched, through replication, information from many different servers and consolidate based on demand expectations. In order to recognize users' requirements and process requests accordingly, real-time databases are central to our framework. We also propose that multimedia information be separated into slowly changing and rapidly changing data streams to improve response time requirements. Surrogate- servers perform the tasks of integration of these data streams that is transparent to end-users.

  3. An analytical approach to characterize morbidity profile dissimilarity between distinct cohorts using electronic medical records.

    Schildcrout, Jonathan S; Basford, Melissa A; Pulley, Jill M; Masys, Daniel R; Roden, Dan M; Wang, Deede; Chute, Christopher G; Kullo, Iftikhar J; Carrell, David; Peissig, Peggy; Kho, Abel; Denny, Joshua C

    2010-12-01

    We describe a two-stage analytical approach for characterizing morbidity profile dissimilarity among patient cohorts using electronic medical records. We capture morbidities using the International Statistical Classification of Diseases and Related Health Problems (ICD-9) codes. In the first stage of the approach separate logistic regression analyses for ICD-9 sections (e.g., "hypertensive disease" or "appendicitis") are conducted, and the odds ratios that describe adjusted differences in prevalence between two cohorts are displayed graphically. In the second stage, the results from ICD-9 section analyses are combined into a general morbidity dissimilarity index (MDI). For illustration, we examine nine cohorts of patients representing six phenotypes (or controls) derived from five institutions, each a participant in the electronic MEdical REcords and GEnomics (eMERGE) network. The phenotypes studied include type II diabetes and type II diabetes controls, peripheral arterial disease and peripheral arterial disease controls, normal cardiac conduction as measured by electrocardiography, and senile cataracts. Copyright © 2010 Elsevier Inc. All rights reserved.

  4. Rearing in seawater mesocosms improves the spawning performance of growth hormone transgenic and wild-type coho salmon.

    Rosalind A Leggatt

    Full Text Available Growth hormone (GH transgenes can significantly accelerate growth rates in fish and cause associated alterations to their physiology and behaviour. Concern exists regarding potential environmental risks of GH transgenic fish, should they enter natural ecosystems. In particular, whether they can reproduce and generate viable offspring under natural conditions is poorly understood. In previous studies, GH transgenic salmon grown under contained culture conditions had lower spawning behaviour and reproductive success relative to wild-type fish reared in nature. However, wild-type salmon cultured in equal conditions also had limited reproductive success. As such, whether decreased reproductive success of GH transgenic salmon is due to the action of the transgene or to secondary effects of culture (or a combination has not been fully ascertained. Hence, salmon were reared in large (350,000 L, semi-natural, seawater tanks (termed mesocosms designed to minimize effects of standard laboratory culture conditions, and the reproductive success of wild-type and GH transgenic coho salmon from mesocosms were compared with that of wild-type fish from nature. Mesocosm rearing partially restored spawning behaviour and success of wild-type fish relative to culture rearing, but remained lower overall than those reared in nature. GH transgenic salmon reared in the mesocosm had similar spawning behaviour and success as wild-type fish reared in the mesocosm when in full competition and without competition, but had lower success in male-only competition experiments. There was evidence of genotype×environmental interactions on spawning success, so that spawning success of transgenic fish, should they escape to natural systems in early life, cannot be predicted with low uncertainty. Under the present conditions, we found no evidence to support enhanced mating capabilities of GH transgenic coho salmon compared to wild-type salmon. However, it is clear that GH transgenic

  5. Role of submerged vegetation in the retention processes of three plant protection products in flow-through stream mesocosms.

    Stang, Christoph; Wieczorek, Matthias Valentin; Noss, Christian; Lorke, Andreas; Scherr, Frank; Goerlitz, Gerhard; Schulz, Ralf

    2014-07-01

    Quantitative information on the processes leading to the retention of plant protection products (PPPs) in surface waters is not available, particularly for flow-through systems. The influence of aquatic vegetation on the hydraulic- and sorption-mediated mitigation processes of three PPPs (triflumuron, pencycuron, and penflufen; logKOW 3.3-4.9) in 45-m slow-flowing stream mesocosms was investigated. Peak reductions were 35-38% in an unvegetated stream mesocosm, 60-62% in a sparsely vegetated stream mesocosm (13% coverage with Elodea nuttallii), and in a similar range of 57-69% in a densely vegetated stream mesocosm (100% coverage). Between 89% and 93% of the measured total peak reductions in the sparsely vegetated stream can be explained by an increase of vegetation-induced dispersion (estimated with the one-dimensional solute transport model OTIS), while 7-11% of the peak reduction can be attributed to sorption processes. However, dispersion contributed only 59-71% of the peak reductions in the densely vegetated stream mesocosm, where 29% to 41% of the total peak reductions can be attributed to sorption processes. In the densely vegetated stream, 8-27% of the applied PPPs, depending on the logKOW values of the compounds, were temporarily retained by macrophytes. Increasing PPP recoveries in the aqueous phase were accompanied by a decrease of PPP concentrations in macrophytes indicating kinetic desorption over time. This is the first study to provide quantitative data on how the interaction of dispersion and sorption, driven by aquatic macrophytes, influences the mitigation of PPP concentrations in flowing vegetated stream systems. Copyright © 2014 Elsevier Ltd. All rights reserved.

  6. ANALYSIS OF DOMESTIC AND INTERNATIONAL APPROACHES TO THE ADVANCED EDUCATIONAL PRACTICES IN THE ELECTRONIC NETWORK ENVIRONMENT

    Tatiana N. Noskova

    2016-12-01

    Full Text Available Introduction: human activities related to the use of information are being transformed under the influence of computer technology. Variable solutions to information problems are emerging; demands and require¬ments for the competence are changing on the labour market. Educational practices are destined to form a new learning behaviour for the 21st century, adopting lifelong learning strategy. The main purpose of the article is to answer the question as to how to transform existing pedagogical theory and practice under current conditions of electronic environment. Publishing of this article is coherent with concept of the journal Integration of Education, analyzing Russian and world experience in the development of education systems. This approach is important for dissemination and implementation in practice. This article explores the challenges of information technology and technical support of the educational process in universities and schools. The study of these issues is in the field of view of the journa l. Materials and Methods: the paper elaborates on the results of domestic and international educational theory and practice, comparison methods, drawing on student’s survey in the framework of international research in the field of e-learning in higher education institutions. Results: the main approaches, applied to the formulation of educational practices in the electronic environ-ment, were analyzed. The most topical national approaches include system, activity, polysubject (dialogical, context, and dialogical ones. Among international approaches self-directed learning, educational communication strategies, experiential learning, training in partnership, collaborative learning, learning in online communities, situational training were analyzed. Specifics of electronic educational interactions with distributed in time and space activities of teachers and students, create the preconditions for the implementation of new educational

  7. Chemical and engineering approaches to enable organic field-effect transistors for electronic skin applications.

    Sokolov, Anatoliy N; Tee, Benjamin C-K; Bettinger, Christopher J; Tok, Jeffrey B-H; Bao, Zhenan

    2012-03-20

    Skin is the body's largest organ and is responsible for the transduction of a vast amount of information. This conformable material simultaneously collects signals from external stimuli that translate into information such as pressure, pain, and temperature. The development of an electronic material, inspired by the complexity of this organ is a tremendous, unrealized engineering challenge. However, the advent of carbon-based electronics may offer a potential solution to this long-standing problem. In this Account, we describe the use of an organic field-effect transistor (OFET) architecture to transduce mechanical and chemical stimuli into electrical signals. In developing this mimic of human skin, we thought of the sensory elements of the OFET as analogous to the various layers and constituents of skin. In this fashion, each layer of the OFET can be optimized to carry out a specific recognition function. The separation of multimodal sensing among the components of the OFET may be considered a "divide and conquer" approach, where the electronic skin (e-skin) can take advantage of the optimized chemistry and materials properties of each layer. This design of a novel microstructured gate dielectric has led to unprecedented sensitivity for tactile pressure events. Typically, pressure-sensitive components within electronic configurations have suffered from a lack of sensitivity or long mechanical relaxation times often associated with elastomeric materials. Within our method, these components are directly compatible with OFETs and have achieved the highest reported sensitivity to date. Moreover, the tactile sensors operate on a time scale comparable with human skin, making them ideal candidates for integration as synthetic skin devices. The methodology is compatible with large-scale fabrication and employs simple, commercially available elastomers. The design of materials within the semiconductor layer has led to the incorporation of selectivity and sensitivity within

  8. Succession within the prokaryotic communities during the VAHINE mesocosms experiment in the New Caledonia lagoon

    Pfreundt, Ulrike; Van Wambeke, France; Caffin, Mathieu; Bonnet, Sophie; Hess, Wolfgang R.

    2016-04-01

    N2 fixation fuels ˜ 50 % of new primary production in the oligotrophic South Pacific Ocean. The VAHINE experiment has been designed to track the fate of diazotroph-derived nitrogen (DDN) and carbon within a coastal lagoon ecosystem in a comprehensive way. For this, large-volume ( ˜ 50 m3) mesocosms were deployed in the New Caledonian lagoon and were intentionally fertilized with dissolved inorganic phosphorus (DIP) to stimulate N2 fixation. This study examined the temporal dynamics of the prokaryotic community together with the evolution of biogeochemical parameters for 23 consecutive days in one of these mesocosms (M1) and in the Nouméa lagoon using MiSeq 16S rRNA gene sequencing and flow cytometry. Combining these methods allowed for inference of absolute cell numbers from 16S data. We observed clear successions within M1, some of which were not mirrored in the lagoon. The dominating classes in M1 were Alpha- and Gammaproteobacteria, Cyanobacteria, eukaryotic microalgae, Marine Group II Euryarchaeota, Flavobacteriia, and Acidimicrobia. Enclosure led to significant changes in the M1 microbial community, probably initiated by the early decay of Synechococcus and diatoms. However, we did not detect a pronounced bottle effect with a copiotroph-dominated community. The fertilization with ˜ 0.8 µM DIP on day 4 did not have directly observable effects on the overall community within M1, as the data samples obtained from before and 4 days after fertilization clustered together, but likely influenced the development of individual populations later on, like Defluviicoccus-related bacteria and UCYN-C-type diazotrophic cyanobacteria (Cyanothece). Growth of UCYN-C led to among the highest N2-fixation rates ever measured in this region and enhanced growth of nearly all abundant heterotrophic groups in M1. We further show that different Rhodobacteraceae were the most efficient heterotrophs in the investigated system and we observed niche partitioning within the SAR86 clade

  9. Understanding Contrasting Approaches to Nationwide Implementations of Electronic Health Record Systems: England, the USA and Australia

    Zoe Morrison

    2011-01-01

    Full Text Available As governments commit to national electronic health record (EHR systems, there is increasing international interest in identifying effective implementation strategies. We draw on Coiera's typology of national programmes - ‘top-down’, ‘bottom-up’ and ‘middle-out’ - to review EHR implementation strategies in three exemplar countries: England, the USA and Australia. In comparing and contrasting three approaches, we show how different healthcare systems, national policy contexts and anticipated benefits have shaped initial strategies. We reflect on progress and likely developments in the face of continually changing circumstances. Our review shows that irrespective of the initial strategy, over time there is likely to be convergence on the negotiated, devolved middle-out approach, which aims to balance the interests and responsibilities of local healthcare constituencies and national government to achieve national connectivity. We conclude that, accepting the current lack of empirical evidence, the flexibility offered by the middle-out approach may make this the best initial national strategy.

  10. Modeling a terminology-based electronic nursing record system: an object-oriented approach.

    Park, Hyeoun-Ae; Cho, InSook; Byeun, NamSoo

    2007-10-01

    The aim of this study was to present our perspectives on healthcare information analysis at a conceptual level and the lessons learned from our experience with the development of a terminology-based enterprise electronic nursing record system - which was one of components in an EMR system at a tertiary teaching hospital in Korea - using an object-oriented system analysis and design concept. To ensure a systematic approach and effective collaboration, the department of nursing constituted a system modeling team comprising a project manager, systems analysts, user representatives, an object-oriented methodology expert, and healthcare informaticists (including the authors). A rational unified process (RUP) and the Unified Modeling Language were used as a development process and for modeling notation, respectively. From the scenario and RUP approach, user requirements were formulated into use case sets and the sequence of activities in the scenario was depicted in an activity diagram. The structure of the system was presented in a class diagram. This approach allowed us to identify clearly the structural and behavioral states and important factors of a terminology-based ENR system (e.g., business concerns and system design concerns) according to the viewpoints of both domain and technical experts.

  11. An Analysis of Knowledge Sharing Approaches for Emerging-technology-based Strategic Alliances in Electronic Industry

    LIU Ju; LI Yong-jian

    2006-01-01

    Emerging technologies are now initiating new industries and transforming old ones with tremendous power. They are different games compared with established technologies with distinctive characteristics of knowledge management in knowledge-based and technological-innovation-based competition. How to obtain knowledge advantage and enhance competences by knowledge sharing for emerging-technology-based strategic alliances (ETBSA) is what we concern in this paper. On the basis of our previous work on emerging technologies'distinctive attributes, we counter the wide spread presumption that the primary purpose of strategic alliances is knowledge acquiring by means of learning. We offers new insight into the knowledge sharing approaches of ETBSAs - the knowledge integrating approach by which each member firm integrates its partner's complementary knowledge base into the products and services and maintains its own knowledge specialization at the same time. So that ETBSAs should plan and practice their knowledge sharing strategies from the angle of knowledge integrating rather than knowledge acquiring. A four-dimensional framework is developed to analyze the advantages and disadvantages of these two knowledge sharing approaches. Some cases in electronic industry are introduced to illustrate our point of view.

  12. A Cost-Effective Approach for Migrating Enterprise Electronic Mail Systems

    Emmanuel Omojokun

    2008-02-01

    Full Text Available Electronic mail (E-mail is one of the most utilized application software systems in modern-day organizations. The major messaging application programs used in the enterprise are IBM Lotus Notes also known as Domino, Microsoft Exchange Servers, and Novel GroupWise. For various reasons – such as high cost of maintenance, undeliverable e-mail issue and loss of attachments, companies find it necessary to either migrate to newer versions of their messaging software or to an entirely different software. In either case, the process must be carefully planned, well designed and properly implemented to avoid disaster. In this paper, we present a cost-effective approach for migrating a particular messaging software. The approach was implemented and tested for the migration of GroupWise 5.5 to Exchange Server 2003. We present our success story and lessons learned from the case. A six-week and one-year post migration system-audits indicated that the organization derived several benefits including significant cost savings as a result of this particular approach. Chief information/technology officers and e-mail administrators will benefit immensely from the "best practice" strategy hereby presented.

  13. Communication: Electronic and transport properties of molecular junctions under a finite bias: A dual mean field approach

    Liu, Shuanglong; Feng, Yuan Ping; Zhang, Chun

    2013-01-01

    We show that when a molecular junction is under an external bias, its properties cannot be uniquely determined by the total electron density in the same manner as the density functional theory for ground state properties. In order to correctly incorporate bias-induced nonequilibrium effects, we present a dual mean field (DMF) approach. The key idea is that the total electron density together with the density of current-carrying electrons are sufficient to determine the properties of the system. Two mean fields, one for current-carrying electrons and the other one for equilibrium electrons can then be derived. Calculations for a graphene nanoribbon junction show that compared with the commonly used ab initio transport theory, the DMF approach could significantly reduce the electric current at low biases due to the non-equilibrium corrections to the mean field potential in the scattering region

  14. Macroinvertebrate short-term responses to flow variation and oxygen depletion: A mesocosm approach.

    Calapez, Ana R; Branco, Paulo; Santos, José M; Ferreira, Teresa; Hein, Thomas; Brito, António G; Feio, Maria João

    2017-12-01

    In Mediterranean rivers, water scarcity is a key stressor with direct and indirect effects on other stressors, such as water quality decline and inherent oxygen depletion associated with pollutants inputs. Yet, predicting the responses of macroinvertebrates to these stressors combination is quite challenging due to the reduced available information, especially if biotic and abiotic seasonal variations are taken under consideration. This study focused on the response of macroinvertebrates by drift to single and combined effects of water scarcity and dissolved oxygen (DO) depletion over two seasons (winter and spring). A factorial design of two flow velocity levels - regular and low (vL) - with three levels of oxygen depletion - normoxia, medium depletion (dM) and higher depletion (dH) - was carried out in a 5-artificial channels system, in short-term experiments. Results showed that both stressors individually and together had a significant effect on macroinvertebrate drift ratio for both seasons. Single stressor effects showed that macroinvertebrate drift decreased with flow velocity reduction and increased with DO depletion, in both winter and spring experiments. Despite single stressors opposing effects in drift ratio, combined stressors interaction (vL×dM and vL×dH) induced a positive synergistic drift effect for both seasons, but only in winter the drift ratio was different between the levels of DO depletion. Stressors interaction in winter seemed to intensify drift response when reached lower oxygen saturation. Also, drift patterns were different between seasons for all treatments, which may depend on individual's life stage and seasonal behaviour. Water scarcity seems to exacerbate the oxygen depletion conditions resulting into a greater drifting of invertebrates. The potential effects of oxygen depletion should be evaluated when addressing the impacts of water scarcity on river ecosystems, since flow reductions will likely contribute to a higher oxygen deficit, particularly in Mediterranean rivers. Copyright © 2017 Elsevier B.V. All rights reserved.

  15. On the suitability of fiberglass reinforced polyester as building material for mesocosms.

    Berghahn, R; Brandsch, J; Piringer, O; Pluta, H J; Winkler, T

    1999-07-01

    Gel- and topcoat surface layers on fiberglass [glass-reinforced plastic (GRP)] made of unsaturated resin based on isophthalic acid polyester and neopentyl glycol (ISO-NPG) were tested for leaching, ecotoxicity of water eluates, and abrasion by river sediments at a current speed of 0.5 m * s-1. Leaching from topcoat tempered at low temperature was significant, whereas it was negligible from highly tempered gelcoat. Water eluates from both gel-and topcoat were nontoxic in routinely employed biotests (bacteria, algae, daphnids). No abrasion by river sediments was detectable. Based on these results, GRP with gelcoat made of ISO-NPG is considered a suitable building material for mesocosms. Copyright 1999 Academic Press.

  16. The effects of the contemporary-use insecticide (fipronil) in an estuarine mesocosm

    Wirth, E.F.; Pennington, P.L.; Lawton, J.C.; DeLorenzo, M.E.; Bearden, D.; Shaddrix, B.; Sivertsen, S.; Fulton, M.H.

    2004-01-01

    To examine the effects of environmentally realistic fipronil concentrations on estuarine ecosystems, replicated mesocosms containing intact marsh plots and seawater were exposed to three treatments of fipronil (150, 355, and 5000 ng/L) and a Control. Juvenile fish (Cyprinidon variegatus), juvenile clams (Mercenaria mercenaria), oysters (Crassostrea virginica), and grass shrimp (Palaemonetes pugio) were added prior to fipronil in an effort to quantify survival, growth, and the persistence of toxicity during the planned 28-day exposure. Results indicated that there were no fipronil-associated effects on the clams, oysters, or fish. Shrimp were sensitive to the highest two concentrations (40% survival at 355 ng/L and 0% survival at 5000 ng/L). Additionally, the highest fipronil treatment (5000 ng/L) was toxic to shrimp for 6 weeks post dose. These results suggest that fipronil may impact shrimp populations at low concentrations and further use in coastal areas should be carefully assessed

  17. The effects of the contemporary-use insecticide (fipronil) in an estuarine mesocosm

    Wirth, E.F.; Pennington, P.L.; Lawton, J.C.; DeLorenzo, M.E.; Bearden, D.; Shaddrix, B.; Sivertsen, S.; Fulton, M.H

    2004-10-01

    To examine the effects of environmentally realistic fipronil concentrations on estuarine ecosystems, replicated mesocosms containing intact marsh plots and seawater were exposed to three treatments of fipronil (150, 355, and 5000 ng/L) and a Control. Juvenile fish (Cyprinidon variegatus), juvenile clams (Mercenaria mercenaria), oysters (Crassostrea virginica), and grass shrimp (Palaemonetes pugio) were added prior to fipronil in an effort to quantify survival, growth, and the persistence of toxicity during the planned 28-day exposure. Results indicated that there were no fipronil-associated effects on the clams, oysters, or fish. Shrimp were sensitive to the highest two concentrations (40% survival at 355 ng/L and 0% survival at 5000 ng/L). Additionally, the highest fipronil treatment (5000 ng/L) was toxic to shrimp for 6 weeks post dose. These results suggest that fipronil may impact shrimp populations at low concentrations and further use in coastal areas should be carefully assessed.

  18. Phytotoxicity of atrazine, isoproturon, and diuron to submersed macrophytes in outdoor mesocosms.

    Knauert, Stefanie; Singer, Heinz; Hollender, Juliane; Knauer, Katja

    2010-01-01

    The submersed macrophytes Elodea canadensis, Myriophyllum spicatum and Potamogeton lucens were constantly exposed over a five-week period to environmentally relevant concentrations of atrazine, isoproturon, diuron, and their mixture in outdoor mesocosms. Effects were evaluated investigating photosynthetic efficiency (PE) of the three macrophytes and growth of M. spicatum and E. canadensis. Adverse effects on PE were observed on days 2 and 5 after application. M. spicatum was found to be the more sensitive macrophyte. E. canadensis and P. lucens were less sensitive to atrazine, diuron and the mixture and insensitive to isoproturon. PE of M. spicatum was similarly affected by the single herbicides and the mixture demonstrating concentration addition. Growth of E. canadensis and M. spicatum was not reduced indicating that herbicide exposure did not impair plant development. Although PE measurements turned out to be a sensitive method to monitor PSII herbicides, plant growth remains the more relevant ecological endpoint in risk assessment.

  19. Carbon balance of rewetted and drained peat soils used for biomass production: A mesocosm study

    Karki, Sandhya; Elsgaard, Lars; Kandel, Tanka

    2016-01-01

    of lower CO2 emissions without losing agricultural land. The present study quantified the carbon balance (CO2, CH4 and harvested biomass C) of rewetted and drained peat soils under intensively managed reed canary grass (RCG) cultivation. Mesocosms were maintained at five different ground water levels (GWL......), i.e., 0, 10, 20 cm below the soil surface, representing rewetted peat soils, and 30 and 40 cm below the soil surface, representing drained peat soils. Net ecosystem exchange (NEE) of CO2 and CH4 emissions were measured during the growing period of RCG (May to September) using transparent and opaque...... closed chamber methods. The average dry biomass yield was significantly lower from rewetted peat soils (12 Mg ha−1) than drained peat soils (15 Mg ha−1). Also, CO2 fluxes of gross primary production (GPP) and ecosystem respiration (ER) from rewetted peat soils were significantly lower than drained peat...

  20. Electronics

    2001-01-01

    International Acer Incorporated, Hsin Chu, Taiwan Aerospace Industrial Development Corporation, Taichung, Taiwan American Institute of Taiwan, Taipei, Taiwan...Singapore and Malaysia .5 - 4 - The largest market for semiconductor products is the high technology consumer electronics industry that consumes up...Singapore, and Malaysia . A new semiconductor facility costs around $3 billion to build and takes about two years to become operational

  1. Floating large-volume mesocosms as a simple, low-cost experimental design suitable for the variety of lakes and reservoirs

    Šorf, M.; Brandl, Z.; Znachor, Petr; Vašek, Mojmír

    2013-01-01

    Roč. 183, č. 1 (2013), s. 41-48 ISSN 1863-9135 Institutional support: RVO:60077344 Keywords : mesocosms * enclosures * methods * lakes * reservoirs Subject RIV: DA - Hydrology ; Limnology Impact factor: 1.000, year: 2013

  2. Effects of predicted climatic changes on distribution of organic contaminants in brackish water mesocosms

    Ripszam, M., E-mail: matyas.ripszam@chem.umu.se [Department of Chemistry, Umea University, 901 87 Umeå (Sweden); Gallampois, C.M.J. [Department of Chemistry, Umea University, 901 87 Umeå (Sweden); Berglund, Å. [Department of Ecology and Environmental Sciences, Umeå University, 901 87 Umeå (Sweden); Larsson, H. [Umeå Marine Sciences Centre, Umeå University, Norrbyn, 905 71 Hörnefors (Sweden); Andersson, A. [Department of Ecology and Environmental Sciences, Umeå University, 901 87 Umeå (Sweden); Tysklind, M.; Haglund, P. [Department of Chemistry, Umea University, 901 87 Umeå (Sweden)

    2015-06-01

    Predicted consequences of future climate change in the northern Baltic Sea include increases in sea surface temperatures and terrestrial dissolved organic carbon (DOC) runoff. These changes are expected to alter environmental distribution of anthropogenic organic contaminants (OCs). To assess likely shifts in their distributions, outdoor mesocosms were employed to mimic pelagic ecosystems at two temperatures and two DOC concentrations, current: 15 °C and 4 mg DOC L{sup −1} and, within ranges of predicted increases, 18 °C and 6 mg DOC L{sup −1}, respectively. Selected organic contaminants were added to the mesocosms to monitor changes in their distribution induced by the treatments. OC partitioning to particulate matter and sedimentation were enhanced at the higher DOC concentration, at both temperatures, while higher losses and lower partitioning of OCs to DOC were observed at the higher temperature. No combined effects of higher temperature and DOC on partitioning were observed, possibly because of the balancing nature of these processes. Therefore, changes in OCs' fates may largely depend on whether they are most sensitive to temperature or DOC concentration rises. Bromoanilines, phenanthrene, biphenyl and naphthalene were sensitive to the rise in DOC concentration, whereas organophosphates, chlorobenzenes (PCBz) and polychlorinated biphenyls (PCBs) were more sensitive to temperature. Mitotane and diflufenican were sensitive to both temperature and DOC concentration rises individually, but not in combination. - Highlights: • More contaminants remained in the ecosystem at higher organic carbon levels. • More contaminants were lost in the higher temperature treatments. • The combined effects are competitive with respect to contaminant cycling. • The individual properties of each contaminant determine their respective fate.

  3. Ecological restructuring in experimental aquatic mesocosms due to the application of diflubenzuron

    Boyle, Terence P.; Fairchild, James F.; Haverland, Pamela S.; Lebo, Jon A.; Robinson-Wilson, Everett

    1996-01-01

    Diflubenzuron is a chitin-inhibiting insecticide that is registered for use in controlling a multitude of invertebrate pests. The selective mode of action of diflubenzuron provided us with a unique tool for examining the indirect responses of an experimental aquatic ecosystem following direct impacts at the primary consumer (invertebrate) trophic level. Twelve outdoor aquatic mesocosms (0.1 ha each) were randomly assigned to three treatments of diflubenzuron (four mesocosms/treatment): control, monthly (five total 10-μg/L applications), or biweekly (twice monthly; nine total 10-μg/L applications). Direct impacts on invertebrates (numbers and species composition of insects and zooplankton) and indirect impacts on fish (mortality, growth, and reproduction of bluegill sunfish and largemouth bass), phytoplankton (biomass and productivity), and water quality were measured over 16 weeks posttreatment. Both monthly and biweekly treatments of diflubenzuron decreased total numbers (fivefold reduction) and species richness (twofold reduction) and increased dominance (twofold increase) of zooplankton within 4 weeks posttreatment; Cladocerans, Copepods, and Rotifers were all sensitive. Diflubenzuron reduced species richness of emergent insects, which resulted in increased dominance by a few species; however, impacts on emergent insects were confounded by a treatment × time interaction. Direct reductions in invertebrate grazers caused indirect increases in algal biomass. Indirect effects on biomass (50% reduction) and individual weight (50% reduction) of juvenile bluegill occurred because of apparent decreases in invertebrate food resources. No statistically significant impacts were observed on adult bluegill or largemouth bass for the duration of the experiment. Results indicated that diflubenzuron had both direct and indirect impacts on the experimental aquatic ecosystems under the conditions tested.

  4. Quantification of the lithogenic carbon pump following a simulated dust-deposition event in large mesocosms

    Bressac, M.; Guieu, C.; Doxaran, D.; Bourrin, F.; Desboeufs, K.; Leblond, N.; Ridame, C.

    2014-02-01

    Lithogenic particles, such as desert dust, have been postulated to influence particulate organic carbon (POC) export to the deep ocean by acting as mineral ballasts. However, an accurate understanding and quantification of the POC-dust association that occurs within the upper ocean is required in order to refine the "ballast hypothesis". In the framework of the DUNE (a DUst experiment in a low-Nutrient, low-chlorophyll Ecosystem) project, two artificial seedings were performed seven days apart within large mesocosms. A suite of optical and biogeochemical measurements were used to quantify surface POC export following simulated dust events within a low-nutrient, low-chlorophyll ecosystem. The two successive seedings led to a 2.3-6.7-fold higher POC flux than the POC flux observed in controlled mesocosms. A simple linear regression analysis revealed that the lithogenic fluxes explained more than 85% of the variance in POC fluxes. On the scale of a dust-deposition event, we estimated that 42-50% of POC fluxes were strictly associated with lithogenic particles (through aggregation and most probably sorption processes). Lithogenic ballasting also likely impacted the remaining POC fraction which resulted from the fertilization effect. The observations support the "ballast hypothesis" and provide a quantitative estimation of the surface POC export abiotically triggered by dust deposition. In this work, we demonstrate that the strength of such a "lithogenic carbon pump" depends on the biogeochemical conditions of the water column at the time of deposition. Based on these observations, we suggest that this lithogenic carbon pump could represent a major component of the biological pump in oceanic areas subjected to intense atmospheric forcing.

  5. Effects of predicted climatic changes on distribution of organic contaminants in brackish water mesocosms

    Ripszam, M.; Gallampois, C.M.J.; Berglund, Å.; Larsson, H.; Andersson, A.; Tysklind, M.; Haglund, P.

    2015-01-01

    Predicted consequences of future climate change in the northern Baltic Sea include increases in sea surface temperatures and terrestrial dissolved organic carbon (DOC) runoff. These changes are expected to alter environmental distribution of anthropogenic organic contaminants (OCs). To assess likely shifts in their distributions, outdoor mesocosms were employed to mimic pelagic ecosystems at two temperatures and two DOC concentrations, current: 15 °C and 4 mg DOC L −1 and, within ranges of predicted increases, 18 °C and 6 mg DOC L −1 , respectively. Selected organic contaminants were added to the mesocosms to monitor changes in their distribution induced by the treatments. OC partitioning to particulate matter and sedimentation were enhanced at the higher DOC concentration, at both temperatures, while higher losses and lower partitioning of OCs to DOC were observed at the higher temperature. No combined effects of higher temperature and DOC on partitioning were observed, possibly because of the balancing nature of these processes. Therefore, changes in OCs' fates may largely depend on whether they are most sensitive to temperature or DOC concentration rises. Bromoanilines, phenanthrene, biphenyl and naphthalene were sensitive to the rise in DOC concentration, whereas organophosphates, chlorobenzenes (PCBz) and polychlorinated biphenyls (PCBs) were more sensitive to temperature. Mitotane and diflufenican were sensitive to both temperature and DOC concentration rises individually, but not in combination. - Highlights: • More contaminants remained in the ecosystem at higher organic carbon levels. • More contaminants were lost in the higher temperature treatments. • The combined effects are competitive with respect to contaminant cycling. • The individual properties of each contaminant determine their respective fate

  6. Linear-algebraic approach to electron-molecule collisions: General formulation

    Collins, L.A.; Schneider, B.I.

    1981-01-01

    We present a linear-algebraic approach to electron-molecule collisions based on an integral equations form with either logarithmic or asymptotic boundary conditions. The introduction of exchange effects does not alter the basic form or order of the linear-algebraic equations for a local potential. In addition to the standard procedure of directly evaluating the exchange integrals by numerical quadrature, we also incorporate exchange effects through a separable-potential approximation. Efficient schemes are developed for reducing the number of points and channels that must be included. The method is applied at the static-exchange level to a number of molecular systems including H 2 , N 2 , LiH, and CO 2

  7. Electronic health records approaches and challenges: a comparison between Malaysia and four East Asian countries.

    Abd Ghani, Mohd Khanapi; Bali, Rajeev K; Naguib, Raouf N G; Marshall, Ian M

    2008-01-01

    An integrated Lifetime Health Record (LHR) is fundamental for achieving seamless and continuous access to patient medical information and for the continuum of care. However, the aim has not yet been fully realised. The efforts are actively progressing around the globe. Every stage of the development of the LHR initiatives had presented peculiar challenges. The best lessons in life are those of someone else's experiences. This paper presents an overview of the development approaches undertaken by four East Asian countries in implementing a national Electronic Health Record (EHR) in the public health system. The major challenges elicited from the review including integration efforts, process reengineering, funding, people, and law and regulation will be presented, compared, discussed and used as lessons learned for the further development of the Malaysian integrated LHR.

  8. Stepwise approach to establishing multiple outreach laboratory information system-electronic medical record interfaces

    Liron Pantanowitz

    2010-01-01

    Full Text Available Clinical laboratory outreach business is changing as more physician practices adopt an electronic medical record (EMR. Physician connectivity with the laboratory information system (LIS is consequently becoming more important. However, there are no reports available to assist the informatician with establishing and maintaining outreach LIS-EMR connectivity. A four-stage scheme is presented that was successfully employed to establish unidirectional and bidirectional interfaces with multiple physician EMRs. This approach involves planning (step 1, followed by interface building (step 2 with subsequent testing (step 3, and finally ongoing maintenance (step 4. The role of organized project management, software as a service (SAAS, and alternate solutions for outreach connectivity are discussed.

  9. QUANTITATIVE ELECTRONIC STRUCTURE - ACTIVITY RELATIONSHIP OF ANTIMALARIAL COMPOUND OF ARTEMISININ DERIVATIVES USING PRINCIPAL COMPONENT REGRESSION APPROACH

    Paul Robert Martin Werfette

    2010-06-01

    Full Text Available Analysis of quantitative structure - activity relationship (QSAR for a series of antimalarial compound artemisinin derivatives has been done using principal component regression. The descriptors for QSAR study were representation of electronic structure i.e. atomic net charges of the artemisinin skeleton calculated by AM1 semi-empirical method. The antimalarial activity of the compound was expressed in log 1/IC50 which is an experimental data. The main purpose of the principal component analysis approach is to transform a large data set of atomic net charges to simplify into a data set which known as latent variables. The best QSAR equation to analyze of log 1/IC50 can be obtained from the regression method as a linear function of several latent variables i.e. x1, x2, x3, x4 and x5. The best QSAR model is expressed in the following equation,  (;;   Keywords: QSAR, antimalarial, artemisinin, principal component regression

  10. An Electronic Structure Approach to Charge Transfer and Transport in Molecular Building Blocks for Organic Optoelectronics

    Hendrickson, Heidi Phillips

    technological design and development. Time dependent perturbation theory, employed by non-equilibrium Green's function formalism, is utilized to study the effect of quantum coherences on electron transport and the effect of symmetry breaking on the electronic spectra of model molecular junctions. The fourth part of this thesis presents the design of a physical chemistry course based on a pedagogical approach called Writing-to-Teach. The nature of inaccuracies expressed in student-generated explanations of quantum chemistry topics, and the ability of a peer review process to engage these inaccuracies, is explored within this context.

  11. A novel approach for honey pollen profile assessment using an electronic tongue and chemometric tools

    Dias, Luís G.; Veloso, Ana C.A.; Sousa, Mara E.B.C.; Estevinho, Letícia; Machado, Adélio A.S.C.

    2015-01-01

    Nowadays the main honey producing countries require accurate labeling of honey before commercialization, including floral classification. Traditionally, this classification is made by melissopalynology analysis, an accurate but time-consuming task requiring laborious sample pre-treatment and high-skilled technicians. In this work the potential use of a potentiometric electronic tongue for pollinic assessment is evaluated, using monofloral and polyfloral honeys. The results showed that after splitting honeys according to color (white, amber and dark), the novel methodology enabled quantifying the relative percentage of the main pollens (Castanea sp., Echium sp., Erica sp., Eucaliptus sp., Lavandula sp., Prunus sp., Rubus sp. and Trifolium sp.). Multiple linear regression models were established for each type of pollen, based on the best sensors' sub-sets selected using the simulated annealing algorithm. To minimize the overfitting risk, a repeated K-fold cross-validation procedure was implemented, ensuring that at least 10–20% of the honeys were used for internal validation. With this approach, a minimum average determination coefficient of 0.91 ± 0.15 was obtained. Also, the proposed technique enabled the correct classification of 92% and 100% of monofloral and polyfloral honeys, respectively. The quite satisfactory performance of the novel procedure for quantifying the relative pollen frequency may envisage its applicability for honey labeling and geographical origin identification. Nevertheless, this approach is not a full alternative to the traditional melissopalynologic analysis; it may be seen as a practical complementary tool for preliminary honey floral classification, leaving only problematic cases for pollinic evaluation. - Highlights: • Honey's floral origin labeling is a legal requirement. • Melissopalynology analysis usually used to evaluate pollens profile is laborious. • A novel E-tongue based approach is applied to assess pollens relative

  12. A novel approach for honey pollen profile assessment using an electronic tongue and chemometric tools

    Dias, Luís G., E-mail: ldias@ipb.pt [Escola Superior Agrária, Instituto Politécnico de Bragança, Campus Santa Apolónia, 5301-855 Bragança (Portugal); CQ-VR, Centro de Química – Vila Real, University of Trás-os-Montes e Alto Douro, Apartado 1013, 5001-801 Vila Real (Portugal); Veloso, Ana C.A. [Instituto Politécnico de Coimbra, ISEC, DEQB, Rua Pedro Nunes, Quinta da Nora, 3030-199 Coimbra (Portugal); CEB-Centre of Biological Engineering, University of Minho, Campus de Gualtar, 4710-057 Braga (Portugal); Sousa, Mara E.B.C.; Estevinho, Letícia [CIMO-Escola Superior Agrária, Instituto Politécnico de Bragança, Campus Santa Apolónia, 5301-855 Bragança (Portugal); Machado, Adélio A.S.C. [LAQUIPAI – Laboratório de Química Inorgânica Pura e de Aplicação Interdisciplinar, Departamento de Química, Faculdade de Ciências da, Universidade do Porto, Rua Campo Alegre n°. 687, 4169-007 Porto (Portugal); and others

    2015-11-05

    Nowadays the main honey producing countries require accurate labeling of honey before commercialization, including floral classification. Traditionally, this classification is made by melissopalynology analysis, an accurate but time-consuming task requiring laborious sample pre-treatment and high-skilled technicians. In this work the potential use of a potentiometric electronic tongue for pollinic assessment is evaluated, using monofloral and polyfloral honeys. The results showed that after splitting honeys according to color (white, amber and dark), the novel methodology enabled quantifying the relative percentage of the main pollens (Castanea sp., Echium sp., Erica sp., Eucaliptus sp., Lavandula sp., Prunus sp., Rubus sp. and Trifolium sp.). Multiple linear regression models were established for each type of pollen, based on the best sensors' sub-sets selected using the simulated annealing algorithm. To minimize the overfitting risk, a repeated K-fold cross-validation procedure was implemented, ensuring that at least 10–20% of the honeys were used for internal validation. With this approach, a minimum average determination coefficient of 0.91 ± 0.15 was obtained. Also, the proposed technique enabled the correct classification of 92% and 100% of monofloral and polyfloral honeys, respectively. The quite satisfactory performance of the novel procedure for quantifying the relative pollen frequency may envisage its applicability for honey labeling and geographical origin identification. Nevertheless, this approach is not a full alternative to the traditional melissopalynologic analysis; it may be seen as a practical complementary tool for preliminary honey floral classification, leaving only problematic cases for pollinic evaluation. - Highlights: • Honey's floral origin labeling is a legal requirement. • Melissopalynology analysis usually used to evaluate pollens profile is laborious. • A novel E-tongue based approach is applied to assess pollens

  13. A Weibull Approach for Enabling Safety-Oriented Decision-Making for Electronic Railway Signaling Systems

    Emanuele Pascale

    2018-04-01

    Full Text Available This paper presents the advantages of using Weibull distributions, within the context of railway signaling systems, for enabling safety-oriented decision-making. Failure rates are used to statistically model the basic event of fault-tree analysis, and their value sizes the maximum allowable latency of failures to fulfill the safety target for which the system has been designed. Relying on field-return failure data, Weibull parameters have been calculated for an existing electronic signaling system and a comparison with existing predictive reliability data, based on exponential distribution, is provided. Results are discussed in order to drive considerations on the respect of quantitative targets and on the impact that a wrong hypothesis might have on the choice of a given architecture. Despite the huge amount of information gathered through the after-sales logbook used to build reliability distribution, several key elements for reliable estimation of failure rate values are still missing. This might affect the uncertainty of reliability parameters and the effort required to collect all the information. We then present how to intervene when operational failure rates present higher values compared to the theoretical approach: increasing the redundancies of the system or performing preventive maintenance tasks. Possible consequences of unjustified adoption of constant failure rate are presented. Some recommendations are also shared in order to build reliability-oriented logbooks and avoid data censoring phenomena by enhancing the functions of the electronic boards composing the system.

  14. Renormalization group-theoretic approach to electron localization in disordered systems

    Kumar, N.; Heinrichs, J.

    1977-06-01

    The localization problem for the Anderson tight-binding model with site-diagonal (gaussian) disorder is studied, using a previously established analogy between this problem and the statistical mechanics of a zero-component classical field. The equivalent free-energy functional turns out to have complex coefficients in the bilinear terms but involves a real repulsive quartic interaction. The averaged one-electron propagator corresponds to the two-point correlation function for the equivalent statistical problem and the critical point gives the mobility edge, which is identified with the (real) fixed point energy of the associated renormalization group. Since for convergence reasons the conventional perturbative treatment of Wilson's formula is invalid, it is resorted to a non-perturbative approach which leads to a physical fixed point corresponding to a repulsive quartic interaction. The results for the mobility edge in three dimensions and for the critical disorder for an Anderson transition in two dimensions agree well with previous detailed predictions. The critical indices describing the approach of the transition at the mobility edge of various physical quantities, within the epsilon-expansion are also discussed. The more general problem where both diagonal and off-diagonal disorder is present in the Anderson hamiltonian is considered. In this case it is shown that the Hamilton function for the equivalent zero-component classical field model involves an additional biquadratic exchange term. From a simple generalization of Wilson's recursion relation and its non-perturbative solution explicit expressions for the mobility edges for weak diagonal and off-diagonal disorder in two and three dimensions are obtained. Our treatment casts doubts on the validity of recent conclusions about electron localization based on the renormalization group study of the nm-component spin model

  15. ANALYSIS OF THEORETICAL AND METHODOLOGICAL APPROACHES TO DESIGN OF ELECTRONIC TEXTBOOKS FOR STUDENTS OF HIGHER AGRICULTURAL EDUCATIONAL INSTITUTIONS

    Olena Yu. Balalaieva

    2017-06-01

    Full Text Available The article deals with theoretical and methodological approaches to the design of electronic textbook, in particular systems, competence, activity, personality oriented, technological one, that in complex reflect the general trends in the formation of a new educational paradigm, distinctive features of which lie in constructing the heuristic searching model of the learning process, focusing on developmental teaching, knowledge integration, skills development for the independent information search and processing, technification of the learning process. The approach in this study is used in a broad sense as a synthesis of the basic ideas, views, principles that determine the overall research strategy. The main provisions of modern approaches to design are not antagonistic, they should be applied in a complex, taking into account the advantages of each of them and leveling shortcomings for the development of optimal concept of electronic textbook. The model of electronic textbook designing and components of methodology for its using based on these approaches are described.

  16. Observation of superconducting fluxons by transmission electron microscopy: A Fourier space approach to calculate the electron optical phase shifts and images

    Beleggia, M.; Pozzi, G.

    2001-01-01

    An approach is presented for the calculation of the electron optical phase shift experienced by high-energy electrons in a transmission electron microscope, when they interact with the magnetic field associated with superconducting fluxons in a thin specimen tilted with respect to the beam. It is shown that by decomposing the vector potential in its Fourier components and by calculating the phase shift of each component separately, it is possible to obtain the Fourier transform of the electron optical phase shift, which can be inverted either analytically or numerically. It will be shown how this method can be used to recover the result, previously obtained by the real-space approach, relative to the case of a straight flux tube perpendicular to the specimen surfaces. Then the method is applied to the case of a London fluxon in a thin film, where the bending and the broadening of the magnetic-field lines due to the finite specimen thickness are now correctly taken into account and not treated approximately by means of a parabolic fit. Finally, it will be shown how simple models for the pancake structure of the fluxon can be analyzed within this framework and the main features of electron transmission images predicted

  17. Functional renormalization group approach to electronic structure calculations for systems without translational symmetry

    Seiler, Christian; Evers, Ferdinand

    2016-10-01

    A formalism for electronic-structure calculations is presented that is based on the functional renormalization group (FRG). The traditional FRG has been formulated for systems that exhibit a translational symmetry with an associated Fermi surface, which can provide the organization principle for the renormalization group (RG) procedure. We here advance an alternative formulation, where the RG flow is organized in the energy-domain rather than in k space. This has the advantage that it can also be applied to inhomogeneous matter lacking a band structure, such as disordered metals or molecules. The energy-domain FRG (ɛ FRG) presented here accounts for Fermi-liquid corrections to quasiparticle energies and particle-hole excitations. It goes beyond the state of the art G W -BSE , because in ɛ FRG the Bethe-Salpeter equation (BSE) is solved in a self-consistent manner. An efficient implementation of the approach that has been tested against exact diagonalization calculations and calculations based on the density matrix renormalization group is presented. Similar to the conventional FRG, also the ɛ FRG is able to signalize the vicinity of an instability of the Fermi-liquid fixed point via runaway flow of the corresponding interaction vertex. Embarking upon this fact, in an application of ɛ FRG to the spinless disordered Hubbard model we calculate its phase boundary in the plane spanned by the interaction and disorder strength. Finally, an extension of the approach to finite temperatures and spin S =1 /2 is also given.

  18. EPR policies for electronics in developing Asia: an adapted phase-in approach.

    Akenji, Lewis; Hotta, Yasuhiko; Bengtsson, Magnus; Hayashi, Shiko

    2011-09-01

    The amount of e-waste is growing rapidly in developing countries, and the health and environmental problems resulting from poor management of this waste have become a concern for policy makers. In response to these challenges, a number of Asian developing countries have been inspired by policy developments in OECD countries, and have drafted legislations based on the principle of extended producer responsibility (EPR). However, the experiences from developed countries show that a successful implementation of EPR policies requires adequate institutions and sufficient administrative capacity. Even advanced countries are thus facing difficulties. This paper concludes from existing literature and from the authors' own observations that there seems to be a mismatch between the typical policy responses to e-waste problems in developing Asia and the capacity for successful implementation of such policies. It also notes that the e-waste situation in developing Asian countries is further complicated by a number of additional factors, such as difficulties in identifying producers, import of used electronic products and e-waste (sometimes illegal), and the existence of a strong informal waste sector. Given these challenges, the authors conclude that comprehensive EPR policy schemes of the kind that have been implemented in some advanced countries are not likely to be effective. The paper therefore proposes an alternative phase-in approach whereby developing Asian countries are able to move gradually towards EPR systems. It argues that this approach would be more feasible, and discusses what could be the key building blocks of each implementation stage.

  19. Design of electron beam bending magnet system using three sector magnets for electron and photon therapy: a simulation approach

    Shahzad, A.A.; Bhoraskar, V.N.; Dhole, S.D.

    2013-01-01

    The 270 degree doubly achromatic beam bending magnet system using three sector magnets has been designed mainly for treating cancer and skin diseases. The main requirements of the design of three magnet system is to focus an electron beam having a spot size less than 3mm x 3mm, energy spread within 3% and divergence angle ≤ 3 mrad at the target. To achieve these parameters the simulation was carried out using Lorentz-3EM software. The beam spot, divergence angle and energy spread were observed with respect to the variation in angles of sector magnets and drift distances. From the simulated results, it has been optimized that all the three sector magnets has an angle of 62 degree and the drift distance 68 mm. It is also observed that at the 1637, 2425, 3278, 4165 and 5690 Amp-turn, the optimized design produces 3851, 5754, 7434, 9356 and 11425 Gauss of magnetic field at median plane require to bend 6, 9, 12, 15 and 18 MeV energy of electron respectively for electron therapy. The output parameters of the optimized design are energy spread 3%, divergence angle ∼ 3 mrad and spot size 2.8 mm. Moreover, for 6 MV and 15 MV photon therapy application, an electron beam of energy 6.5 MeV and 15.5 MeV extracted from magnet system and focussed on the Bremsstrahlung target. For the photon therapy the 1780, and 4456 amp-turn, an optimized design produces 4148 and 9682 Gauss of magnetic field at median plane require to bend 6.5 and 15.5 MeV energy of electron respectively, which further produces Bremsstrahlung in Tungsten target. (author)

  20. A novel system architecture for the national integration of electronic health records: a semi-centralized approach.

    AlJarullah, Asma; El-Masri, Samir

    2013-08-01

    The goal of a national electronic health records integration system is to aggregate electronic health records concerning a particular patient at different healthcare providers' systems to provide a complete medical history of the patient. It holds the promise to address the two most crucial challenges to the healthcare systems: improving healthcare quality and controlling costs. Typical approaches for the national integration of electronic health records are a centralized architecture and a distributed architecture. This paper proposes a new approach for the national integration of electronic health records, the semi-centralized approach, an intermediate solution between the centralized architecture and the distributed architecture that has the benefits of both approaches. The semi-centralized approach is provided with a clearly defined architecture. The main data elements needed by the system are defined and the main system modules that are necessary to achieve an effective and efficient functionality of the system are designed. Best practices and essential requirements are central to the evolution of the proposed architecture. The proposed architecture will provide the basis for designing the simplest and the most effective systems to integrate electronic health records on a nation-wide basis that maintain integrity and consistency across locations, time and systems, and that meet the challenges of interoperability, security, privacy, maintainability, mobility, availability, scalability, and load balancing.

  1. Hybridization approach to in-line and off-axis (electron) holography for superior resolution and phase sensitivity

    Ozsoy-Keskinbora, C.; Boothroyd, C. B.; Dunin-Borkowski, R. E.; van Aken, P. A.; Koch, C. T.

    2014-01-01

    Holography - originally developed for correcting spherical aberration in transmission electron microscopes - is now used in a wide range of disciplines that involve the propagation of waves, including light optics, electron microscopy, acoustics and seismology. In electron microscopy, the two primary modes of holography are Gabor's original in-line setup and an off-axis approach that was developed subsequently. These two techniques are highly complementary, offering superior phase sensitivity at high and low spatial resolution, respectively. All previous investigations have focused on improving each method individually. Here, we show how the two approaches can be combined in a synergetic fashion to provide phase information with excellent sensitivity across all spatial frequencies, low noise and an efficient use of electron dose. The principle is also expected to be widely to applications of holography in light optics, X-ray optics, acoustics, ultra-sound, terahertz imaging, etc. PMID:25387480

  2. Advances in the MQDT approach of electron/molecular cation reactive collisions: High precision extensive calculations for applications

    Motapon O.

    2015-01-01

    Full Text Available Recent advances in the stepwise multichannel quantum defect theory approach of electron/molecular cation reactive collisions have been applied to perform computations of cross sections and rate coefficients for dissociative recombination and electron-impact ro-vibrational transitions of H2+, BeH+ and their deuterated isotopomers. At very low energy, rovibronic interactions play a significant role in the dynamics, whereas at high energy, the dissociative excitation strongly competes with all other reactive processes.

  3. Organic solvent wetting properties of UV and plasma treated ZnO nanorods: printed electronics approach

    Sliz, Rafal

    2012-09-13

    Due to low manufacturing costs, printed organic solar cells are on the short-list of renewable and environmentally- friendly energy production technologies of the future. However, electrode materials and each photoactive layer require different techniques and approaches. Printing technologies have attracted considerable attention for organic electronics due to their potentially high volume and low cost processing. A case in point is the interface between the substrate and solution (ink) drop, which is a particularly critical issue for printing quality. In addition, methods such as UV, oxygen and argon plasma treatments have proven suitable to increasing the hydrophilicity of treated surfaces. Among several methods of measuring the ink-substrate interface, the simplest and most reliable is the contact angle method. In terms of nanoscale device applications, zinc oxide (ZnO) has gained popularity, owing to its physical and chemical properties. In particular, there is a growing interest in exploiting the unique properties that the so-called nanorod structure exhibits for future 1-dimensional opto-electronic devices. Applications, such as photodiodes, thin-film transistors, sensors and photo anodes in photovoltaic cells have already been demonstrated. This paper presents the wettability properties of ZnO nanorods treated with UV illumination, oxygen and argon plasma for various periods of time. Since this work concentrates on solar cell applications, four of the most common solutions used in organic solar cell manufacture were tested: P3HT:PCBM DCB, P3HT:PCBM CHB, PEDOT:PSS and water. The achieved results prove that different treatments change the contact angle differently. Moreover, solvent behaviour varied uniquely with the applied treatment. © (2012) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.

  4. Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems

    Brorsen, Kurt R.; Sirjoosingh, Andrew; Pak, Michael V.; Hammes-Schiffer, Sharon

    2015-01-01

    The nuclear electronic orbital (NEO) reduced explicitly correlated Hartree-Fock (RXCHF) approach couples select electronic orbitals to the nuclear orbital via Gaussian-type geminal functions. This approach is extended to enable the use of a restricted basis set for the explicitly correlated electronic orbitals and an open-shell treatment for the other electronic orbitals. The working equations are derived and the implementation is discussed for both extensions. The RXCHF method with a restricted basis set is applied to HCN and FHF − and is shown to agree quantitatively with results from RXCHF calculations with a full basis set. The number of many-particle integrals that must be calculated for these two molecules is reduced by over an order of magnitude with essentially no loss in accuracy, and the reduction factor will increase substantially for larger systems. Typically, the computational cost of RXCHF calculations with restricted basis sets will scale in terms of the number of basis functions centered on the quantum nucleus and the covalently bonded neighbor(s). In addition, the RXCHF method with an odd number of electrons that are not explicitly correlated to the nuclear orbital is implemented using a restricted open-shell formalism for these electrons. This method is applied to HCN + , and the nuclear densities are in qualitative agreement with grid-based calculations. Future work will focus on the significance of nonadiabatic effects in molecular systems and the further enhancement of the NEO-RXCHF approach to accurately describe such effects

  5. Nuclear-electronic orbital reduced explicitly correlated Hartree-Fock approach: Restricted basis sets and open-shell systems

    Brorsen, Kurt R.; Sirjoosingh, Andrew; Pak, Michael V.; Hammes-Schiffer, Sharon, E-mail: shs3@illinois.edu [Department of Chemistry, University of Illinois at Urbana-Champaign, 600 South Mathews Ave., Urbana, Illinois 61801 (United States)

    2015-06-07

    The nuclear electronic orbital (NEO) reduced explicitly correlated Hartree-Fock (RXCHF) approach couples select electronic orbitals to the nuclear orbital via Gaussian-type geminal functions. This approach is extended to enable the use of a restricted basis set for the explicitly correlated electronic orbitals and an open-shell treatment for the other electronic orbitals. The working equations are derived and the implementation is discussed for both extensions. The RXCHF method with a restricted basis set is applied to HCN and FHF{sup −} and is shown to agree quantitatively with results from RXCHF calculations with a full basis set. The number of many-particle integrals that must be calculated for these two molecules is reduced by over an order of magnitude with essentially no loss in accuracy, and the reduction factor will increase substantially for larger systems. Typically, the computational cost of RXCHF calculations with restricted basis sets will scale in terms of the number of basis functions centered on the quantum nucleus and the covalently bonded neighbor(s). In addition, the RXCHF method with an odd number of electrons that are not explicitly correlated to the nuclear orbital is implemented using a restricted open-shell formalism for these electrons. This method is applied to HCN{sup +}, and the nuclear densities are in qualitative agreement with grid-based calculations. Future work will focus on the significance of nonadiabatic effects in molecular systems and the further enhancement of the NEO-RXCHF approach to accurately describe such effects.

  6. Electron and photon reconstruction and performance in ATLAS using a dynamical, topological cell clustering-based approach

    The ATLAS collaboration

    2017-01-01

    The electron and photon reconstruction in ATLAS has moved towards the use of a dynamical, topo- logical cell-based approach for cluster building, owing to advancements in the calibration procedure which allow for such a method to be applied. The move to this new technique allows for improved measurements of electron and photon energies, particularly in situations where an electron radiates a bremsstrahlung photon, or a photon converts to an electron-poistron pair. This note details the changes to the ATLAS electron and photon reconstruction software, and assesses its performance under current LHC luminosity conditions using simulated data. Changes to the converted photon reconstruction are also detailed, which improve the reconstruction efficiency of double-track converted photons, as well as reducing the reconstruction of spurious one-track converted photons. The performance of the new reconstruction algorithm is also presented in a number of important topologies relevant to precision Standard Model physics,...

  7. Testing the potential effects of shellfish farming on swimming activity and spatial distribution of sole (Solea solea) in a mesocosm

    Laffargue, Pascal; Begout, Marie-laure; Lagardere, Francoise

    2006-01-01

    Restructuring coastal fish nursery habitats by extensive shellfish fanning in the French part of the Bay of Biscay could influence fish physiology and behaviour and affect the ecological performance of the species. The influence of oyster-trestle cultivation installations on sole (Solea solea) swimming behaviour was investigated using an experimental pond mesocosm. A pen was constructed with three interconnected zones (two with bags of live oysters or oyster shells on trestles, and one free z...

  8. Experimental manipulation of TN:TP ratiossuppress cyanobacterial biovolume and microcystinconcentration in large-scale in situ mesocosms

    Harris, Theodore D.; Wilhelm, Frank M.; Graham, Jennifer L.; Loftin, Keith A.

    2014-01-01

    A global dataset was compiled to examine relations between the total nitrogen to total phosphorus ratio (TN:TP) and microcystin concentration in lakes and reservoirs. Microcystin concentration decreased as TN:TP ratios increased, suggesting that manipulation of the TN:TP ratio may reduce microcystin concentrations. This relationship was experimentally tested by adding ammonium nitrate to increase the TN:TP ratio in large-scale (70 m3), in situ mesocosms located in a eutrophic reservoir that routinely experiences toxic blooms of cyanobacteria. At a TN:TP ratio >75:1, chlorophytes dominated the phytoplankton community in the mesocosms, while cyanobacterial biovolume was significantly reduced and microcystin was not detected. In contrast, the unmanipulated reservoir was dominated by cyanobacteria, and microcystin was detected. Secchi depths were 1.1 to 1.8 times greater in the mesocosms relative to the reservoir. Cladoceran zooplankton had a larger body size (0.14 mm on average) in the mesocosms compared to conspecifics in the reservoir, which was likely related to the higher quality food. Combined, these empirical and experimental data indicate that although nutrient addition is counterintuitive to current cyanobacteria management practices, increasing the TN:TP ratio by adding nitrogen may be a potential short-term management strategy to reduce cyanobacteria and cyanotoxins when other alternatives (e.g., phosphorus reduction) are not possible. Additional experimental studies with careful controls are needed to define best management practices and identify any potential unintended consequences before nitrogen addition is implemented as a lake and reservoir management practice.

  9. Photoemission in strongly correlated crystalline f-electron systems: A need for a new approach

    Arko, A.J.; Joyce, J.J.; Sarrao, J.

    1998-01-01

    The unusual properties of heavy fermion (or heavy electron) materials have sparked an avalanche of research over the last two decades in order to understand the basic phenomena responsible for these properties. Photoelectron spectroscopy (often referred to as PES in the following sections), the most direct measurement of the electronic structure of a material, should in principle be able to shed considerable light on this matter. In general the distinction between a localized and a band-like state is trivially observed in band dispersion. Much of the past work was performed on poly-crystalline samples, scraped in-situ to expose a clean surface for PES. There have since been considerable advances both in the quality of specimens as well as experimental resolution, which raise questions regarding these conclusions. Much of the past work on poly-crystalline samples has been reported in several review articles, most notably Allen et al., and it is not necessary here to review those efforts again, with the exception of subsequent work performed at high resolution. The primary focus of the present review will be on new measurements obtained on single crystals, cleaved or prepared in situ and measured at high resolution, which seem to suggest that agreement with the GS and NCA approximations is less than perfect, and that perhaps the starting models need to be modified, or that even an entirely new approach is called for. Of the promising new models the Periodic Anderson Model is most closely related to the SIM. Indeed, at high temperatures it reverts to the SIM. However, the charge polaron model of Liu (1997) as well as the two-electron band model of Sheng and Cooper (1995) cannot yet be ruled out. Inasmuch as the bulk of the single crystal work was performed by the Los Alamos group, this review will draw heavily on those results. Moreover, since the GS and NCA approximations represent the most comprehensive and widely accepted treatment of heavy fermion PES, it is only

  10. Dynamical simulation of electron transfer processes in self-assembled monolayers at metal surfaces using a density matrix approach

    Prucker, V.; Bockstedte, M.; Thoss, M.; Coto, P. B.

    2018-03-01

    A single-particle density matrix approach is introduced to simulate the dynamics of heterogeneous electron transfer (ET) processes at interfaces. The characterization of the systems is based on a model Hamiltonian parametrized by electronic structure calculations and a partitioning method. The method is applied to investigate ET in a series of nitrile-substituted (poly)(p-phenylene)thiolate self-assembled monolayers adsorbed at the Au(111) surface. The results show a significant dependence of the ET on the orbital symmetry of the donor state and on the molecular and electronic structure of the spacer.

  11. Dynamical simulation of electron transfer processes in self-assembled monolayers at metal surfaces using a density matrix approach.

    Prucker, V; Bockstedte, M; Thoss, M; Coto, P B

    2018-03-28

    A single-particle density matrix approach is introduced to simulate the dynamics of heterogeneous electron transfer (ET) processes at interfaces. The characterization of the systems is based on a model Hamiltonian parametrized by electronic structure calculations and a partitioning method. The method is applied to investigate ET in a series of nitrile-substituted (poly)(p-phenylene)thiolate self-assembled monolayers adsorbed at the Au(111) surface. The results show a significant dependence of the ET on the orbital symmetry of the donor state and on the molecular and electronic structure of the spacer.

  12. Time-dependent approach to electron scattering and ionization in the s-wave model

    Ihra, W.; Draeger, M.; Handke, G.; Friedrich, H.

    1995-01-01

    The time-dependent Schroedinger equation is integrated for continuum states of two-electron atoms in the framework of the s-wave model, in which both electrons are restricted to having vanishing individual orbital angular momenta. The method is suitable for studying the time evolution of correlations in the two-electron wave functions and yields probabilities for elastic and inelastic electron scattering and for electron-impact ionization. The spin-averaged probabilities for electron-impact ionization of hydrogen in the s-wave model reproduce the shape of the experimentally observed integrated ionization cross section remarkably well for energies near and above the maximum

  13. Simulation of electron spin resonance spectroscopy in diverse environments: An integrated approach

    Zerbetto, Mirco; Polimeno, Antonino; Barone, Vincenzo

    2009-12-01

    We discuss in this work a new software tool, named E-SpiReS (Electron Spin Resonance Simulations), aimed at the interpretation of dynamical properties of molecules in fluids from electron spin resonance (ESR) measurements. The code implements an integrated computational approach (ICA) for the calculation of relevant molecular properties that are needed in order to obtain spectral lines. The protocol encompasses information from atomistic level (quantum mechanical) to coarse grained level (hydrodynamical), and evaluates ESR spectra for rigid or flexible single or multi-labeled paramagnetic molecules in isotropic and ordered phases, based on a numerical solution of a stochastic Liouville equation. E-SpiReS automatically interfaces all the computational methodologies scheduled in the ICA in a way completely transparent for the user, who controls the whole calculation flow via a graphical interface. Parallelized algorithms are employed in order to allow running on calculation clusters, and a web applet Java has been developed with which it is possible to work from any operating system, avoiding the problems of recompilation. E-SpiReS has been used in the study of a number of different systems and two relevant cases are reported to underline the promising applicability of the ICA to complex systems and the importance of similar software tools in handling a laborious protocol. Program summaryProgram title: E-SpiReS Catalogue identifier: AEEM_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEEM_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GPL v2.0 No. of lines in distributed program, including test data, etc.: 311 761 No. of bytes in distributed program, including test data, etc.: 10 039 531 Distribution format: tar.gz Programming language: C (core programs) and Java (graphical interface) Computer: PC and Macintosh Operating system: Unix and Windows Has the code been vectorized or

  14. Mesocosm validation of the marine No Effect Concentration of dissolved copper derived from a species sensitivity distribution.

    Foekema, E M; Kaag, N H B M; Kramer, K J M; Long, K

    2015-07-15

    The Predicted No Effect Concentration (PNEC) for dissolved copper based on the species sensitivity distribution (SSD) of 24 marine single species tests was validated in marine mesocosms. To achieve this, the impact of actively maintained concentrations of dissolved copper on a marine benthic and planktonic community was studied in 18 outdoor 4.6m(3) mesocosms. Five treatment levels, ranging from 2.9 to 31μg dissolved Cu/L, were created in triplicate and maintained for 82days. Clear effects were observed on gastropod and bivalve molluscs, phytoplankton, zooplankton, sponges and sessile algae. The most sensitive biological endpoints; reproduction success of the bivalve Cerastoderma edule, copepod population development and periphyton growth were significantly affected at concentrations of 9.9μg Cu/L and higher. The No Observed Effect Concentration (NOEC) derived from this study was 5.7μg dissolved Cu/L. Taking into account the DOC concentration of the mesocosm water this NOEC is comparable to the PNEC derived from the SSD. Copyright © 2015. Published by Elsevier B.V.

  15. Hydrology and Soil Manipulations of Iron-Rich Ditch Mesocosms Provide Little Evidence of Phosphorus Capture within the Profile.

    Ruppert, David E; Needelman, Brian A; Kleinman, Peter J A; Rabenhorst, Martin C; Momen, Bahram; Wester, David B

    2017-05-01

    Agricultural drainage ditches function as first-order streams and affect nutrient management. Soil mesocosms from a ditch featuring a vertical (increasing upward) gradient in iron (Fe) and phosphorus (P) were subjected to hydraulic and soil treatments. These manipulations mimicked aspects of dredging and controlled drainage and inspected the soil release and retention of P. Treatments did not remove P from simulated groundwater. Throughput water either gained in P (lack of dredging, especially under Fe-reducing conditions) or had P concentrations indistinguishable from input water (dredging). Undredged mesocosms, when Fe-reducing, released Fe and P simultaneously. Simultaneous release of P and Fe from our Fe-reducing mesocosms indicates a mechanism whereby P capture occurs by Fe precipitation upon emergence to aerated surficial waters. Upwelling and surficial phases of ditch hydrology and the lowering of the ditch surface on dredging complicate interpretation of traditional means of describing ditch P retention and release. Copyright © by the American Society of Agronomy, Crop Science Society of America, and Soil Science Society of America, Inc.

  16. THE JEOPARDIZED SITUATION OF ELECTRONIC WASTE IN BANGLADESH: CAN CUSTOMIZED POLICY APPROACH SOLVE THE CHALLENGE?

    Khalid Md. Bahauddin

    2016-01-01

    Full Text Available Electronic waste (e-waste is one of the fastest-growing pollution problems worldwide given the presence if a variety of toxic substances which can contaminate the environment and threaten human health, if disposal protocols are not meticulously managed. In Bangladesh almost 2.7 million metric tons of e-waste generated per year. Of this amountonly 20 to 30 percent is recycled and the rest of the waste is released in to landfills,  rivers, drains lakes, canals, open spaces which are very hazardous for the health and environment. Since Bangladesh is in the stream of rapid technological advancement, it is seldom to take necessary steps to avoid the future jeopardized situation because of e-waste. The current practices of e-waste management in Bangladesh suffer from a number of drawbacks like the difficulty in inventorisation, unhealthy conditions of informal recycling, inadequate legislation and policy, poor awareness and reluctance on part of the corporate to address the critical issues. The paper highlights the associated issues and strategies to address this emerging problem, analyses the policy and its gaps. Therefore, this paper also suggest that e-waste policy development may require a more customized approach where, instead of addressing e-waste in isolation, it should be addressed as part of the national development agenda that integrates green economy assessment and strategic environmental assessment as part of national policy planning. Finally this work also suggests some alternative strategies and approaches to overcome the challenges of e-waste.

  17. Robust Estimation of Electron Density From Anatomic Magnetic Resonance Imaging of the Brain Using a Unifying Multi-Atlas Approach

    Ren, Shangjie [Tianjin Key Laboratory of Process Measurement and Control, School of Electrical Engineering and Automation, Tianjin University, Tianjin (China); Department of Radiation Oncology, Stanford University School of Medicine, Palo Alto, California (United States); Hara, Wendy; Wang, Lei; Buyyounouski, Mark K.; Le, Quynh-Thu; Xing, Lei [Department of Radiation Oncology, Stanford University School of Medicine, Palo Alto, California (United States); Li, Ruijiang, E-mail: rli2@stanford.edu [Department of Radiation Oncology, Stanford University School of Medicine, Palo Alto, California (United States)

    2017-03-15

    Purpose: To develop a reliable method to estimate electron density based on anatomic magnetic resonance imaging (MRI) of the brain. Methods and Materials: We proposed a unifying multi-atlas approach for electron density estimation based on standard T1- and T2-weighted MRI. First, a composite atlas was constructed through a voxelwise matching process using multiple atlases, with the goal of mitigating effects of inherent anatomic variations between patients. Next we computed for each voxel 2 kinds of conditional probabilities: (1) electron density given its image intensity on T1- and T2-weighted MR images; and (2) electron density given its spatial location in a reference anatomy, obtained by deformable image registration. These were combined into a unifying posterior probability density function using the Bayesian formalism, which provided the optimal estimates for electron density. We evaluated the method on 10 patients using leave-one-patient-out cross-validation. Receiver operating characteristic analyses for detecting different tissue types were performed. Results: The proposed method significantly reduced the errors in electron density estimation, with a mean absolute Hounsfield unit error of 119, compared with 140 and 144 (P<.0001) using conventional T1-weighted intensity and geometry-based approaches, respectively. For detection of bony anatomy, the proposed method achieved an 89% area under the curve, 86% sensitivity, 88% specificity, and 90% accuracy, which improved upon intensity and geometry-based approaches (area under the curve: 79% and 80%, respectively). Conclusion: The proposed multi-atlas approach provides robust electron density estimation and bone detection based on anatomic MRI. If validated on a larger population, our work could enable the use of MRI as a primary modality for radiation treatment planning.

  18. An exciton approach to the excited states of two electron atoms. I Formalism and interpretation

    Schipper, P.E.

    1985-01-01

    The exciton model is formally applied to a description of the excited states of two electron atoms with the explicit inclusion of exchange. The model leads to a conceptually simple framework for the discussion of the electronic properties of the archetypical atomic electron pair

  19. Approaches and challenges to optimising primary care teams’ electronic health record usage

    Nancy Pandhi

    2014-07-01

    Full Text Available Background Although the presence of an electronic health record (EHR alone does not ensure high quality, efficient care, few studies have focused on the work of those charged with optimising use of existing EHR functionality.Objective To examine the approaches used and challenges perceived by analysts supporting the optimisation of primary care teams’ EHR use at a large U.S. academic health care system.Methods A qualitative study was conducted. Optimisation analysts and their supervisor were interviewed and data were analysed for themes.Results Analysts needed to reconcile the tension created by organisational mandates focused on the standardisation of EHR processes with the primary care teams’ demand for EHR customisation. They gained an understanding of health information technology (HIT leadership’s and primary care team’s goals through attending meetings, reading meeting minutes and visiting with clinical teams. Within what was organisationally possible, EHR education could then be tailored to fit team needs. Major challenges were related to organisational attempts to standardise EHR use despite varied clinic contexts, personnel readiness and technical issues with the EHR platform. Forcing standardisation upon clinical needs that current EHR functionality could not satisfy was difficult.Conclusions Dedicated optimisation analysts can add value to health systems through playing a mediating role between HIT leadership and care teams. Our findings imply that EHR optimisation should be performed with an in-depth understanding of the workflow, cognitive and interactional activities in primary care.

  20. Epidemic surveillance using an electronic medical record: an empiric approach to performance improvement.

    Hongzhang Zheng

    Full Text Available Electronic medical records (EMR form a rich repository of information that could benefit public health. We asked how structured and free-text narrative EMR data should be combined to improve epidemic surveillance for acute respiratory infections (ARI.Eight previously characterized ARI case detection algorithms (CDA were applied to historical EMR entries to create authentic time series of daily ARI case counts (background. An epidemic model simulated influenza cases (injection. From the time of the injection, cluster-detection statistics were applied daily on paired background+injection (combined and background-only time series. This cycle was then repeated with the injection shifted to each week of the evaluation year. We computed: a the time from injection to the first statistical alarm uniquely found in the combined dataset (Detection Delay; b how often alarms originated in the background-only dataset (false-alarm rate, or FAR; and c the number of cases found within these false alarms (Caseload. For each CDA, we plotted the Detection Delay as a function of FAR or Caseload, over a broad range of alarm thresholds.CDAs that combined text analyses seeking ARI symptoms in clinical notes with provider-assigned diagnostic codes in order to maximize the precision rather than the sensitivity of case-detection lowered Detection Delay at any given FAR or Caseload.An empiric approach can guide the integration of EMR data into case-detection methods that improve both the timeliness and efficiency of epidemic detection.

  1. Electronic Cigarettes and Indoor Air Quality: A Simple Approach to Modeling Potential Bystander Exposures to Nicotine

    Colard, Stéphane; O’Connell, Grant; Verron, Thomas; Cahours, Xavier; Pritchard, John D.

    2014-01-01

    There has been rapid growth in the use of electronic cigarettes (“vaping”) in Europe, North America and elsewhere. With such increased prevalence, there is currently a debate on whether the aerosol exhaled following the use of e-cigarettes has implications for the quality of air breathed by bystanders. Conducting chemical analysis of the indoor environment can be costly and resource intensive, limiting the number of studies which can be conducted. However, this can be modelled reasonably accurately based on empirical emissions data and using some basic assumptions. Here, we present a simplified model, based on physical principles, which considers aerosol propagation, dilution and extraction to determine the potential contribution of a single puff from an e-cigarette to indoor air. From this, it was then possible to simulate the cumulative effect of vaping over time. The model was applied to a virtual, but plausible, scenario considering an e-cigarette user and a non-user working in the same office space. The model was also used to reproduce published experimental studies and showed good agreement with the published values of indoor air nicotine concentration. With some additional refinements, such an approach may be a cost-effective and rapid way of assessing the potential exposure of bystanders to exhaled e-cigarette aerosol constituents. PMID:25547398

  2. Six Sigma Approach to Improve Stripping Quality of Automotive Electronics Component – a case study

    Razali, Noraini Mohd; Murni Mohamad Kadri, Siti; Con Ee, Toh

    2018-03-01

    Lacking of problem solving skill techniques and cooperation between support groups are the two obstacles that always been faced in actual production line. Inadequate detail analysis and inappropriate technique in solving the problem may cause the repeating issues which may give impact to the organization performance. This study utilizes a well-structured six sigma DMAIC with combination of other problem solving tools to solve product quality problem in manufacturing of automotive electronics component. The study is concentrated at the stripping process, a critical process steps with highest rejection rate that contribute to the scrap and rework performance. The detail analysis is conducted in the analysis phase to identify the actual root cause of the problem. Then several improvement activities are implemented and the results show that the rejection rate due to stripping defect decrease tremendously and the process capability index improved from 0.75 to 1.67. This results prove that the six sigma approach used to tackle the quality problem is substantially effective.

  3. A low-cost approach to electronic excitation energies based on the driven similarity renormalization group

    Li, Chenyang; Verma, Prakash; Hannon, Kevin P.; Evangelista, Francesco A.

    2017-08-01

    We propose an economical state-specific approach to evaluate electronic excitation energies based on the driven similarity renormalization group truncated to second order (DSRG-PT2). Starting from a closed-shell Hartree-Fock wave function, a model space is constructed that includes all single or single and double excitations within a given set of active orbitals. The resulting VCIS-DSRG-PT2 and VCISD-DSRG-PT2 methods are introduced and benchmarked on a set of 28 organic molecules [M. Schreiber et al., J. Chem. Phys. 128, 134110 (2008)]. Taking CC3 results as reference values, mean absolute deviations of 0.32 and 0.22 eV are observed for VCIS-DSRG-PT2 and VCISD-DSRG-PT2 excitation energies, respectively. Overall, VCIS-DSRG-PT2 yields results with accuracy comparable to those from time-dependent density functional theory using the B3LYP functional, while VCISD-DSRG-PT2 gives excitation energies comparable to those from equation-of-motion coupled cluster with singles and doubles.

  4. Final Report - Composite Fermion Approach to Strongly Interacting Quasi Two Dimensional Electron Gas Systems

    Quinn, John

    2009-11-30

    Work related to this project introduced the idea of an effective monopole strength Q* that acted as the effective angular momentum of the lowest shell of composite Fermions (CF). This allowed us to predict the angular momentum of the lowest band of energy states for any value of the applied magnetic field simply by determining N{sub QP} the number of quasielectrons (QE) or quasiholes (QH) in a partially filled CF shell and adding angular momenta of the N{sub QP} Fermions excitations. The approach reported treated the filled CF level as a vacuum state which could support QE and QH excitations. Numerical diagonalization of small systems allowed us to determine the angular momenta, the energy, and the pair interaction energies of these elementary excitations. The spectra of low energy states could then be evaluated in a Fermi liquid-like picture, treating the much smaller number of quasiparticles and their interactions instead of the larger system of N electrons with Coulomb interactions.

  5. Electronic Cigarettes and Indoor Air Quality: A Simple Approach to Modeling Potential Bystander Exposures to Nicotine

    Stéphane Colard

    2014-12-01

    Full Text Available There has been rapid growth in the use of electronic cigarettes (“vaping” in Europe, North America and elsewhere. With such increased prevalence, there is currently a debate on whether the aerosol exhaled following the use of e-cigarettes has implications for the quality of air breathed by bystanders. Conducting chemical analysis of the indoor environment can be costly and resource intensive, limiting the number of studies which can be conducted. However, this can be modelled reasonably accurately based on empirical emissions data and using some basic assumptions. Here, we present a simplified model, based on physical principles, which considers aerosol propagation, dilution and extraction to determine the potential contribution of a single puff from an e-cigarette to indoor air. From this, it was then possible to simulate the cumulative effect of vaping over time. The model was applied to a virtual, but plausible, scenario considering an e-cigarette user and a non-user working in the same office space. The model was also used to reproduce published experimental studies and showed good agreement with the published values of indoor air nicotine concentration. With some additional refinements, such an approach may be a cost-effective and rapid way of assessing the potential exposure of bystanders to exhaled e-cigarette aerosol constituents.

  6. Data-driven approach for assessing utility of medical tests using electronic medical records.

    Skrøvseth, Stein Olav; Augestad, Knut Magne; Ebadollahi, Shahram

    2015-02-01

    To precisely define the utility of tests in a clinical pathway through data-driven analysis of the electronic medical record (EMR). The information content was defined in terms of the entropy of the expected value of the test related to a given outcome. A kernel density classifier was used to estimate the necessary distributions. To validate the method, we used data from the EMR of the gastrointestinal department at a university hospital. Blood tests from patients undergoing surgery for gastrointestinal surgery were analyzed with respect to second surgery within 30 days of the index surgery. The information content is clearly reflected in the patient pathway for certain combinations of tests and outcomes. C-reactive protein tests coupled to anastomosis leakage, a severe complication show a clear pattern of information gain through the patient trajectory, where the greatest gain from the test is 3-4 days post index surgery. We have defined the information content in a data-driven and information theoretic way such that the utility of a test can be precisely defined. The results reflect clinical knowledge. In the case we used the tests carry little negative impact. The general approach can be expanded to cases that carry a substantial negative impact, such as in certain radiological techniques. Copyright © 2014 The Authors. Published by Elsevier Inc. All rights reserved.

  7. Correlated nuclear and electronic dynamics in photoionized systems studied by quantum and mixed quantum-classical approaches

    Li, Zheng

    2014-09-01

    The advent of free electron lasers and high harmonic sources enables the investigation of electronic and nuclear dynamics of molecules and solids with atomic spatial resolution and femtosecond/attosecond time resolution, using bright and ultrashort laser pulses of frequency from terahertz to hard x-ray range. With the help of ultrashort laser pulses, the nuclear and electronic dynamics can be initiated, monitored and actively controlled at the typical time scale in the femtosecond to attosecond realm. Meanwhile, theoretical tools are required to describe the underlying mechanism. This doctoral thesis focuses on the development of theoretical tools based on full quantum mechanical multiconfiguration time-dependent Hartree (MCTDH) and mixed quantum classical approaches, which can be applied to describe the dynamical behavior of gas phase molecules and strongly correlated solids in the presence of ultrashort laser pulses. In the first part of this thesis, the focus is on the motion of electron holes in gas phase molecular ions created by extreme ultraviolet (XUV) photoionization and watched by spectroscopic approaches. The XUV photons create electron-hole in the valence orbitals of molecules by photoionization, the electron hole, as a positively charged quasi-particle, can then interact with the nuclei and the rest of electrons, leading to coupled non-Born-Oppenheimer dynamics. I present our study on electron-hole relaxation dynamics in valence ionized molecular ions of moderate size, using quantum wave packet and mixed quantum-classical approaches, using photoionized [H + (H 2 O) n ] + molecular ion as example. We have shown that the coupled motion of the electron-hole and the nuclei can be mapped out with femtosecond resolution by core-level x-ray transient absorption spectroscopy. Furthermore, in specific cases, the XUV photon can create a coherent electron hole, that can maintain its coherence to time scales of ∝ 1 picosecond. Employing XUV pump - IR probe

  8. Mesocosm-Scale Experimental Quantification of Plant-Fungi Associations on Carbon Fluxes and Mineral Weathering

    Andrews, M. Y.; Palmer, B.; Leake, J. R.; Banwart, S. A.; Beerling, D. J.

    2009-12-01

    The rise of land plants in the Paleozoic is classically implicated as driving lower atmospheric CO2 levels through enhanced weathering of Ca and Mg bearing silicate minerals. However, this view overlooks the fact that plants coevolved with associated mycorrhizal fungi over this time, with many of the weathering processes usually ascribed to plants actually being driven by the combined activities of roots and mycorrhizal fungi. Here we present initial results from a novel mesocosm-scale laboratory experiment designed to allow investigation of plant-driven carbon flux and mineral weathering at different soil depths under ambient (400 ppm) and elevated (1500 ppm) atmospheric CO2. Four species of plants were chosen to address evolutionary trends in symbiotic mycorrhizal association and rooting depth on biologically driven silicate weathering under the different CO2 regimes. Gymnosperms were used to investigate potential differences in weathering capabilities of two fungal symbioses: Sequoia sempervirens and Metasequoia glyptostroboides (arbuscular mycorrhizal, AM) and Pinus sylvestris (ectomycorrhizal, EM), and the shallow rooted ancient fern, Osmunda regalis, used to provide a contrast to the three more deeply rooted trees. Plants were grown in a cylindrical mesocosm with four horizontal inserts at each depth. These inserts are a mesh-covered dual-core unit whereby an inner core containing silicate minerals can be rotated within an outer core. The mesh excludes roots from the cylinders allowing fungal-rock pairings to be examined at each depth. Each core contains either basalt or granite, each with severed (rotated cores) or intact (static cores) mycorrhizae. This system provides a unique opportunity to examine the ability of a plant to weather minerals with and without its symbiotic fungi. Preliminary results indicate marked differences in nutritional and water requirements, and response to elevated CO2 between the species. The bulk solution chemistries (p

  9. Pseudoclassical approach to electron and ion density correlations in simple liquid metals

    Vericat, F.; Tosi, M.P.; Pastore, G.

    1986-04-01

    Electron-electron and electron-ion structural correlations in simple liquid metals are treated by using effective pair potentials to incorporate quantal effects into a pseudoclassical description of the electron fluid. An effective pair potential between simultaneous electron density fluctuations is first constructed from known properties of the degenerate jellium model, which are the plasmon sum rule, the Kimball-Niklasson relation and Yasuhara's values of the electron pair distribution function at contact. An analytic expression is thereby obtained in the Debye-Hueckel approximation for the electronic structure factor in jellium over a range of density appropriate to metals, with results which compare favourably with those of fully quantal evaluations. A simple pseudoclassical model is then set up for a liquid metal: this involves a model of charged hard spheres for the ion-ion potential and an empty core model for the electron-ion potential, the Coulombic tails being scaled as required by the relation between the long-wavelength partial structure factors and the isothermal compressibility of the metal. The model is solved analytically by a pseudoclassical linear response treatment of the electron-ion coupling and numerical results are reported for partial structure factors in liquid sodium and liquid beryllium. Contact is made for the latter system with data on the electron-electron structure factor in the crystal from inelastic X-ray scattering experiments of Eisenberger, Marra and Brown. (author)

  10. A partitioned correlation function interaction approach for describing electron correlation in atoms

    Verdebout, S; Godefroid, M; Rynkun, P; Jönsson, P; Gaigalas, G; Fischer, C Froese

    2013-01-01

    The traditional multiconfiguration Hartree–Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis. For atoms with many closed core shells, or complicated shell structures, a large orbital basis is needed to saturate the different electron correlation effects such as valence, core–valence and correlation within the core shells. The large orbital basis leads to massive configuration state function (CSF) expansions that are difficult to handle, even on large computer systems. We show that it is possible to relax the orthonormality restriction on the orbital basis and break down the originally very large calculations into a series of smaller calculations that can be run in parallel. Each calculation determines a partitioned correlation function (PCF) that accounts for a specific correlation effect. The PCFs are built on optimally localized orbital sets and are added to a zero-order multireference (MR) function to form a total wave function. The expansion coefficients of the PCFs are determined from a low dimensional generalized eigenvalue problem. The interaction and overlap matrices are computed using a biorthonormal transformation technique (Verdebout et al 2010 J. Phys. B: At. Mol. Phys. 43 074017). The new method, called partitioned correlation function interaction (PCFI), converges rapidly with respect to the orbital basis and gives total energies that are lower than the ones from ordinary MCHF and CI calculations. The PCFI method is also very flexible when it comes to targeting different electron correlation effects. Focusing our attention on neutral lithium, we show that by dedicating a PCF to the single excitations from the core, spin- and orbital-polarization effects can be captured very efficiently, leading to highly improved convergence patterns for hyperfine parameters compared with MCHF calculations based on a single orthogonal radial orbital basis. By collecting separately optimized PCFs to correct the

  11. A partitioned correlation function interaction approach for describing electron correlation in atoms

    Verdebout, S.; Rynkun, P.; Jönsson, P.; Gaigalas, G.; Froese Fischer, C.; Godefroid, M.

    2013-04-01

    The traditional multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis. For atoms with many closed core shells, or complicated shell structures, a large orbital basis is needed to saturate the different electron correlation effects such as valence, core-valence and correlation within the core shells. The large orbital basis leads to massive configuration state function (CSF) expansions that are difficult to handle, even on large computer systems. We show that it is possible to relax the orthonormality restriction on the orbital basis and break down the originally very large calculations into a series of smaller calculations that can be run in parallel. Each calculation determines a partitioned correlation function (PCF) that accounts for a specific correlation effect. The PCFs are built on optimally localized orbital sets and are added to a zero-order multireference (MR) function to form a total wave function. The expansion coefficients of the PCFs are determined from a low dimensional generalized eigenvalue problem. The interaction and overlap matrices are computed using a biorthonormal transformation technique (Verdebout et al 2010 J. Phys. B: At. Mol. Phys. 43 074017). The new method, called partitioned correlation function interaction (PCFI), converges rapidly with respect to the orbital basis and gives total energies that are lower than the ones from ordinary MCHF and CI calculations. The PCFI method is also very flexible when it comes to targeting different electron correlation effects. Focusing our attention on neutral lithium, we show that by dedicating a PCF to the single excitations from the core, spin- and orbital-polarization effects can be captured very efficiently, leading to highly improved convergence patterns for hyperfine parameters compared with MCHF calculations based on a single orthogonal radial orbital basis. By collecting separately optimized PCFs to correct the MR

  12. SUSTAINABLE MANAGEMENT APPROACHES AND REVITALIZATION TOOLS-ELECTRONIC (SMARTE): OVERVIEW AND DEMONSTRATION FOR FINAL PHASE 3 CONFERENCE

    The U.S. contingent of the U.S.-German Bilateral Working Group is developing Sustainable Management Approaches and Revitalization Tools-electronic (SMARTe). SMARTe is a web-based, decision support system designed to assist stakeholders in developing and evaluating alternative reu...

  13. Mechanisms before Reactions: A Mechanistic Approach to the Organic Chemistry Curriculum Based on Patterns of Electron Flow

    Flynn, Alison B.; Ogilvie, William W.

    2015-01-01

    A significant redesign of the introductory organic chemistry curriculum at the authors' institution is described. There are two aspects that differ greatly from a typical functional group approach. First, organic reaction mechanisms and the electron-pushing formalism are taught before students have learned a single reaction. The conservation of…

  14. Comparative ecotoxicity of imidacloprid and dinotefuran to aquatic insects in rice mesocosms.

    Kobashi, Koji; Harada, Takaaki; Adachi, Yoshihiro; Mori, Miho; Ihara, Makoto; Hayasaka, Daisuke

    2017-04-01

    There are growing concerns about the impacts of neonicotinoid insecticides on ecosystems worldwide, and yet ecotoxicity of many of these chemicals at community or ecosystem levels have not been evaluated under realistic conditions. In this study, effects of two neonicotinoid insecticides, imidacloprid and dinotefuran, on aquatic insect assemblages were evaluated in experimental rice mesocosms. During the 5-month period of the rice-growing season, residual concentrations of imidacloprid were 5-10 times higher than those of dinotefuran in both soil and water. Imidacloprid treatment (10kg/ha) reduced significantly the populations of, Crocothemis servilia mariannae and Lyriothemis pachygastra nymphs, whereas those of Orthetrum albistylum speciosum increased slightly throughout the experimental period. However, Notonecta triguttata, which numbers were high from the start, later declined, indicating possible delayed chronic toxicity, while Guignotus japonicus disappeared. In contrast, dinotefuran (10kg/ha) did not decrease the populations of any species, but rather increased the abundance of some insects, particularly Chironominae spp. larvae and C. servilia mariannae nymphs, with the latter being 1.7x higher than those of controls. This was an indirect effect resulting from increased prey (e.g., chironomid larvae) and lack of competition with other dragonfly species. The susceptibilities of dragonfly nymphs to neonicotinoids, particularly imidacloprid, were consistent with those reported elsewhere. In general, imidacloprid had higher impacts on aquatic insects compared to dinotefuran. Copyright © 2016 Elsevier Inc. All rights reserved.

  15. Assessing Interactions of Multiple Agrichemicals by Using Bacterial Assemblages in a Wetland Mesocosm System

    Bruce Libman

    2005-08-01

    Full Text Available Agrichemicals may enter wetlands located adjacent to or downstream from agricultural fields. We investigated the individual and interactive effects of three agrichemicals [atrazine, chlorpyrifos, and monosodium acid methanearsonate (MSMA] and methyl mercury on abundance and heterotrophic potential of wetland heterotrophic bacteria assemblages. We used a factorial experimental design, in which chemicals were introduced in all possible combinations to 66 500-liter mesocosms at the Biological Field Station of the University of Mississippi. Methyl mercury was added to bring the total mercury (HG concentration to 0.4 mg/Kg wet weight at the sediment surface. Atrazine, chlorpyrifos, and MSMA were added at concentrations of 192, 51, and 219μg/L, respectively. Over 32 days of exposure, microbial heterotrophic activity was sensitive to only the interactive effect of HG*ATR*CPF in the sediments and only CPF in the water. Total bacterial numbers did not exhibit any significant treatment effects. Therefore, the effects of agrichemicals were reflected on cell-specific bacterial heterotrophic activity rather than bacterial population size.

  16. The influence of marine microbial activities on aerosol production: A laboratory mesocosm study

    Alpert, Peter A.; Kilthau, Wendy P.; Bothe, Dylan W.; Radway, JoAnn C.; Aller, Josephine Y.; Knopf, Daniel A.

    2015-09-01

    The oceans cover most of the Earth's surface, contain nearly half the total global primary biomass productivity, and are a major source of atmospheric aerosol particles. Here we experimentally investigate links between biological activity in seawater and sea spray aerosol (SSA) flux, a relationship of potential significance for organic aerosol loading and cloud formation over the oceans and thus for climate globally. Bubbles were generated in laboratory mesocosm experiments either by recirculating impinging water jets or glass frits. Experiments were conducted with Atlantic Ocean seawater collected off the eastern end of Long Island, NY, and with artificial seawater containing cultures of bacteria and phytoplankton Thalassiosira pseudonana, Emiliania huxleyi, and Nannochloris atomus. Changes in SSA size distributions occurred during all phases of bacterial and phytoplankton growth, as characterized by cell concentrations, dissolved organic carbon, total particulate carbon, and transparent exopolymer particles (gel-forming polysaccharides representing a major component of biogenic exudate material). Over a 2 week growth period, SSA particle concentrations increased by a factor of less than 2 when only bacteria were present and by a factor of about 3 when bacteria and phytoplankton were present. Production of jet-generated SSA particles of diameter less than 200 nm increased with time, while production of all particle diameters increased with time when frits were used. The implications of a marine biological activity dependent SSA flux are discussed.

  17. Design and testing of a mesocosm-scale habitat for culturing the endangered Devils Hole Pupfish

    Feuerbacher, Olin; Bonar, Scott A.; Barrett, Paul J.

    2016-01-01

    aptive propagation of desert spring fishes, whether for conservation or research, is often difficult, given the unique and often challenging environments these fish utilize in nature. High temperatures, low dissolved oxygen, minimal water flow, and highly variable lighting are some conditions a researcher might need to recreate to simulate their natural environments. Here we describe a mesocosm-scale habitat created to maintain hybrid Devils Hole × Ash Meadows Amargosa Pupfish (Cyprinodon diabolis × C. nevadensis mionectes) under conditions similar to those found in Devils Hole, Nevada. This 13,000-L system utilized flow control and natural processes to maintain these conditions rather than utilizing complex and expensive automation. We designed a rotating solar collector to control natural sunlight, a biological reactor to consume oxygen while buffering water quality, and a reverse-daylight photosynthesis sump system to stabilize nighttime pH and swings in dissolved oxygen levels. This system successfully controlled many desired parameters and helped inform development of a larger, more permanent desert fish conservation facility at the U.S. Fish and Wildlife Service’s Ash Meadows National Wildlife Refuge, Nevada. For others who need to raise fish from unique habitats, many components of the scalable and modular design of this system can be adapted at reasonable cost.

  18. Off-season biogenic volatile organic compound emissions from heath mesocosms: responses to vegetation cutting.

    Rinnan, Riikka; Gierth, Diana; Bilde, Merete; Rosenørn, Thomas; Michelsen, Anders

    2013-01-01

    Biogenic volatile organic compounds (BVOCs) affect both atmospheric processes and ecological interactions. Our primary aim was to differentiate between BVOC emissions from above- and belowground plant parts and heath soil outside the growing season. The second aim was to assess emissions from herbivory, mimicked by cutting the plants. Mesocosms from a temperate Deschampsia flexuosa-dominated heath ecosystem and a subarctic mixed heath ecosystem were either left intact, the aboveground vegetation was cut, or all plant parts (including roots) were removed. For 3-5 weeks, BVOC emissions were measured in growth chambers by an enclosure method using gas chromatography-mass spectrometry. CO2 exchange, soil microbial biomass, and soil carbon and nitrogen concentrations were also analyzed. Vegetation cutting increased BVOC emissions by more than 20-fold, and the induced compounds were mainly eight-carbon compounds and sesquiterpenes. In the Deschampsia heath, the overall low BVOC emissions originated mainly from soil. In the mixed heath, root, and soil emissions were negligible. Net BVOC emissions from roots and soil of these well-drained heaths do not significantly contribute to ecosystem emissions, at least outside the growing season. If insect outbreaks become more frequent with climate change, ecosystem BVOC emissions will periodically increase due to herbivory.

  19. The effect of agrochemicals on indicator bacteria densities in outdoor mesocosms.

    Staley, Zachery R; Rohr, Jason R; Harwood, Valerie J

    2010-12-01

    Water bodies, which are monitored for microbial water quality by quantification of faecal indicator organisms (IOs), can contain various zoonotic pathogens contributed by livestock waste and other sources. Sediments can serve as reservoirs of IOs and other enteric microorganisms, including pathogens. Agrochemicals may influence the survival of these microorganisms in water bodies impacted by livestock waste by enhancing or reducing their survival. Complex, 1100 l, freshwater mesocosms containing leaf litter, zooplankton, periphyton, phytoplankton, and invertebrate and vertebrate animals were used to investigate the response of Escherichia coli and enterococci to agrochemicals. Replicate tanks were treated with atrazine, malathion, chlorothalonil and inorganic fertilizer, either alone at 1× or 2× their expected environmental concentrations (EECs) or in pair-wise combinations at their EECs. IOs inoculated in sediment (∼10⁴ cfu per 100 ml) were enumerated over 28 days. IOs generally declined over time, but manova revealed that addition of fertilizer and atrazine resulted in significantly greater IO densities. Malathion, chlorothalonil and agrochemical concentration (1× vs 2×) did not significantly affect IO densities and no significant interactions between agrochemicals were noted. The augmentation of IO densities in sediments by fertilizer and atrazine may impact their reliability as accurate predictors of water quality and human health risk, and indicates the need for a better understanding of the fate of IOs and enteric pathogens in sediments exposed to agrochemicals. © 2010 Society for Applied Microbiology and Blackwell Publishing Ltd.

  20. Earthworms and Plant Residues Modify Nematodes in Tropical Cropping Soils (Madagascar: A Mesocosm Experiment

    Cécile Villenave

    2010-01-01

    Full Text Available Free-living nematodes present several characteristics that have led to their use as bioindicators of soil quality. Analyzing the structure of nematofauna is a pertinent way to understand soil biological processes. Earthworms play an important role in soil biological functioning and organic matter dynamics. Their effects on soil nematofauna have seldom been studied. We studied the effect of the tropical endogeic earthworm, Pontoscolex corethrurus, on nematode community structure in a 5-month field mesocosm experiment conducted in Madagascar. Ten different treatments with or without earthworms and with or without organic residues (rice, soybean were compared. Organic residues were applied on the soil surface or mixed with the soil. The abundance of nematodes (bacterial and fungal feeders was higher in presence of P. corethrurus than in their absence. The type of plant residues as well as their localisation had significant effects on the abundance and composition of soil nematodes. The analysis of nematode community structure showed that earthworm activity led to an overall activation of the microbial compartment without specific stimulation of the bacterial or fungal compartment.

  1. Replicated mesocosm study on the role of natural ultraviolet radiation in high CDOM, shallow lakes.

    Pérez, A Patricia; Diaz, Mónica M; Ferraro, Marcela A; Cusminsky, Gabriela C; Zagarese, Horacio E

    2003-02-01

    The role of ultraviolet radiation on shallow, high CDOM (colored dissolved organic matter) lakes was investigated during two consecutive summers (1999 and 2000) in replicated mesocosms (rectangular fiberglass tanks). Each tank (volume: 300 L; depth: 40 cm) was covered with a layer (approximately 3 cm) of sediment from lake El Toro (40 degrees 14' S; 70 degrees 22' W) and filled with filtered water. The experimental design consisted of two treatments: full natural radiation (UV-exposed) and natural radiation without ultraviolet radiation (UV-shielded). UV-exposed and UV-shielded treatments differed in most studied variables as revealed by repeated measures ANOVA. UV-exposed tanks displayed lower CDOM levels (dissolved absorbance) of lower average molecular size (absorbance ratio between 250 and 365 nm), higher bacterial biomass, and lower chlorophyll a concentration. The effect on consumers (rotifers and crustaceans) was less noticeable. The results are consistent with UV stimulation of bacteria production mediated by higher rates of CDOM photobleaching, and the photoinhibition of planktonic algae. Thus, a major effect of UVR in shallow, high CDOM ecosystems appears to be the stimulation of heterotrophic pathways and a simultaneous inhibition of photoautotrophs.

  2. Trophic level stability-inducing effects of predaceous early juvenile fish in an estuarine mesocosm study.

    Ryan J Wasserman

    Full Text Available Classically, estuarine planktonic research has focussed largely on the physico-chemical drivers of community assemblages leaving a paucity of information on important biological interactions.Within the context of trophic cascades, various treatments using in situ mesocosms were established in a closed estuary to highlight the importance of predation in stabilizing estuarine plankton abundances. Through either the removal (filtration or addition of certain planktonic groups, five different trophic systems were established. These treatments contained varied numbers of trophic levels and thus different "predators" at the top of the food chain. The abundances of zooplankton (copepod and polychaete, ciliate, micro-flagellate, nano-flagellate and bacteria were investigated in each treatment, over time. The reference treatment containing apex zooplanktivores (early juvenile mullet and plankton at natural densities mimicked a natural, stable state of an estuary. Proportional variability (PV and coefficient of variation (CV of temporal abundances were calculated for each taxon and showed that apex predators in this experimental ecosystem, when compared to the other systems, induced stability. The presence of these predators therefore had consequences for multiple trophic levels, consistent with trophic cascade theory.PV and CV proved useful indices for comparing stability. Apex predators exerted a stabilizing pressure through feeding on copepods and polychaetes which cascaded through the ciliates, micro-flagellates, nano-flagellates and bacteria. When compared with treatments without apex predators, the role of predation in structuring planktonic communities in closed estuaries was highlighted.

  3. Earthworms and Plant Residues Modify Nematodes in Tropical Cropping Soils (Madagascar): A Mesocosm Experiment

    Villenave, C.; Kichenin, E.; Djigal, D.; Blanchart, E.; Rabary, B.; Djigal, D.

    2010-01-01

    Free-living nematodes present several characteristics that have led to their use as bio indicators of soil quality. Analyzing the structure of nematofauna is a pertinent way to understand soil biological processes. Earthworms play an important role in soil biological functioning and organic matter dynamics. Their effects on soil nematofauna have seldom been studied. We studied the effect of the tropical endogeic earthworm, Pontoscolex corethrurus, on nematode community structure in a 5-month field mesocosm experiment conducted in Madagascar. Ten different treatments with or without earthworms and with or without organic residues (rice, soybean) were compared. Organic residues were applied on the soil surface or mixed with the soil. The abundance of nematodes (bacterial and fungal feeders) was higher in presence of P. corethrurus than in their absence. The type of plant residues as well as their localisation had significant effects on the abundance and composition of soil nematodes. The analysis of nematode community structure showed that earthworm activity led to an overall activation of the microbial compartment without specific stimulation of the bacterial or fungal compartment.

  4. Elevated CO2 and O3 effects on fine-root survivorship in ponderosa pine mesocosms.

    Phillips, Donald L; Johnson, Mark G; Tingey, David T; Storm, Marjorie J

    2009-07-01

    Atmospheric carbon dioxide (CO(2)) and ozone (O(3)) concentrations are rising, which may have opposing effects on tree C balance and allocation to fine roots. More information is needed on interactive CO(2) and O(3) effects on roots, particularly fine-root life span, a critical demographic parameter and determinant of soil C and N pools and cycling rates. We conducted a study in which ponderosa pine (Pinus ponderosa) seedlings were exposed to two levels of CO(2) and O(3) in sun-lit controlled-environment mesocosms for 3 years. Minirhizotrons were used to monitor individual fine roots in three soil horizons every 28 days. Proportional hazards regression was used to analyze effects of CO(2), O(3), diameter, depth, and season of root initiation on fine-root survivorship. More fine roots were produced in the elevated CO(2) treatment than in ambient CO(2). Elevated CO(2), increasing root diameter, and increasing root depth all significantly increased fine-root survivorship and median life span. Life span was slightly, but not significantly, lower in elevated O(3), and increased O(3) did not reduce the effect of elevated CO(2). Median life spans varied from 140 to 448 days depending on the season of root initiation. These results indicate the potential for elevated CO(2) to increase the number of fine roots and their residence time in the soil, which is also affected by root diameter, root depth, and phenology.

  5. Phytotoxicity of atrazine, isoproturon, and diuron to submersed macrophytes in outdoor mesocosms

    Knauert, Stefanie; Singer, Heinz; Hollender, Juliane; Knauer, Katja

    2010-01-01

    The submersed macrophytes Elodea canadensis, Myriophyllum spicatum and Potamogeton lucens were constantly exposed over a five-week period to environmentally relevant concentrations of atrazine, isoproturon, diuron, and their mixture in outdoor mesocosms. Effects were evaluated investigating photosynthetic efficiency (PE) of the three macrophytes and growth of M. spicatum and E. canadensis. Adverse effects on PE were observed on days 2 and 5 after application. M. spicatum was found to be the more sensitive macrophyte. E. canadensis and P. lucens were less sensitive to atrazine, diuron and the mixture and insensitive to isoproturon. PE of M. spicatum was similarly affected by the single herbicides and the mixture demonstrating concentration addition. Growth of E. canadensis and M. spicatum was not reduced indicating that herbicide exposure did not impair plant development. Although PE measurements turned out to be a sensitive method to monitor PSII herbicides, plant growth remains the more relevant ecological endpoint in risk assessment. - Short-term effects on photosynthesis did not result in growth reduction of submerse macrophytes exposed to PSII inhibitors.

  6. Phytotoxicity of atrazine, isoproturon, and diuron to submersed macrophytes in outdoor mesocosms

    Knauert, Stefanie, E-mail: stefanie.knauert@basf.co [University of Basel, Department of Environmental Sciences, Hebelstrasse 1, 4056 Basel (Switzerland); Singer, Heinz; Hollender, Juliane [Eawag: Swiss Federal Institute of Aquatic Science and Technology, Department of Environmental Chemistry, Uberlandstrasse 133, 8600 Duebendorf (Switzerland); Knauer, Katja [University of Basel, Program Sustainability Research, Klingelbergstr. 50, 4056 Basel (Switzerland)

    2010-01-15

    The submersed macrophytes Elodea canadensis, Myriophyllum spicatum and Potamogeton lucens were constantly exposed over a five-week period to environmentally relevant concentrations of atrazine, isoproturon, diuron, and their mixture in outdoor mesocosms. Effects were evaluated investigating photosynthetic efficiency (PE) of the three macrophytes and growth of M. spicatum and E. canadensis. Adverse effects on PE were observed on days 2 and 5 after application. M. spicatum was found to be the more sensitive macrophyte. E. canadensis and P. lucens were less sensitive to atrazine, diuron and the mixture and insensitive to isoproturon. PE of M. spicatum was similarly affected by the single herbicides and the mixture demonstrating concentration addition. Growth of E. canadensis and M. spicatum was not reduced indicating that herbicide exposure did not impair plant development. Although PE measurements turned out to be a sensitive method to monitor PSII herbicides, plant growth remains the more relevant ecological endpoint in risk assessment. - Short-term effects on photosynthesis did not result in growth reduction of submerse macrophytes exposed to PSII inhibitors.

  7. The Impact of Hydration and Temperature on Bacterial Diversity in Arid Soil Mesocosms

    Adam Št'ovíček

    2017-06-01

    Full Text Available Hot desert ecosystems experience rare and unpredictable rainfall events that resuscitate the arid flora and fauna. However, the effect of this sudden abundance of water on soil microbial communities is still under debate. We modeled varying rainfall amounts and temperatures in desert soil mesocosms and monitored the microbial community response over a period of 21 days. We studied two different wetting events, simulating heavy (50 mm and light (10 mm rain, as well as three different temperature regimes: constant 25° or 36°C, or a temperature diurnal cycle alternating between 36 and 10 °C. Amplicon sequencing of the bacterial ribosomal RNA revealed that rain intensity affects the soil bacterial community, but the effects are mitigated by temperature. The combination of water-pulse intensity with lower temperature had the greatest effect on the bacterial community. These experiments demonstrated that the soil microbial response to rain events is dependent not only on the intensity of the water pulse but also on the ambient temperature, thus emphasizing the complexity of bacterial responses to highly unpredictable environments.

  8. Characterizing creosote immunotoxicity in rainbow trout, Oncorhynchus mykiss: A mesocosm study

    Karrow, N.A.; Dixon, D.G.; Bols, N.C.; Whyte, J.J.; Magdic, S. [Univ. of Waterloo, Ontario (Canada); Boermans, H.J.; Solomon, K.R. [Univ. of Guelph, Ontario (Canada)

    1995-12-31

    Immunocompetence was assessed in rainbow trout Oncorhynchus mykiss exposed on days 103 to 131 of a mesocosm study using initial liquid creosote concentrations of 0, 5, 9, 17, 31 and 56 ul/l. Oxidative burst, phagocytic activity, and lymphocyte blastogenic response were measured, as indicators of exposure, using pronephros leukocytes. Peripheral blood was used to measure surface immunoglobulin-positive (slg{sup +}) leukocyte count and lysozyme activity. Tissue residue and water concentration were used as dose surrogates. Pronephros leukocyte phagocytic activity and oxidative burst exhibited a significant dose-response relationship, as measured by flow cytometry. Oxidative burst was inhibited, while phagocytic activity was enhanced. A concentration dependent reduction in the number of slg + peripheral blood leukocytes was also observed using flow cytometry. Although no measurable change in lymphocyte proliferation was detected in response to phytohaemagglutinin (PHA) and concanavalin-A (ConA), lipopolysaccharide (LPS) induced blastogenesis was significantly inhibited. No change in lysozyme activity was observed at 28 d. The results from this study indicate that sediment bound creosote has the potential to alter immune response. Polycyclic aromatic hydrocarbons (PAHs), a major constituent of liquid creosote, are the suspected immunoalterating agents. PAHs are known to predispose fish to disease resulting from their immunosuppressive potentiality.

  9. Metamorphosis of two amphibian species after chronic cadmium exposure in outdoor aquatic mesocosms

    James, S.M.; Little, E.E.; Semlitsch, R.D.

    2005-01-01

    Amphibian larvae at contaminated sites may experience an alteration of metamorphic traits and survival compared to amphibians in uncontaminated conditions. Effects of chronic cadmium (Cd) exposure on the metamorphosis of American toads (Bufo americanus) and southern leopard frogs (Rana sphenocephala) were determined. The two species were reared separately from shortly after hatching through metamorphosis in outdoor mesocosms (1,325-L polyethylene cattle tanks) that simulated natural ponds and enhanced environmental realism relative to the laboratory. Both species exhibited a decrease in survival with increasing initial nominal aqueous Cd concentration. Cadmium treatment did not influence mass at metamorphosis for either species when survival was included as a covariate, but increased the age at metamorphosis for the American toads. The whole body Cd content of metamorphs increased with aqueous Cd treatment level for both species, and the American toads tended to possess more elevated residues. Cadmium quickly partitioned out of the water column and accumulated in and altered the abundance of the tadpoles' diet. Cadmium-contaminated sites may produce fewer metamorphs, and those that survive will metamorphose later and contain Cd. Interspecific differences in the response variables illustrate the importance of testing multiple species when assessing risk.

  10. Primary processes of the electron-protic species coupling in pure aqueous phases: - femtosecond laser spectroscopy study; - quantum approach of the electron-water interaction

    Pommeret, Stanislas

    1991-01-01

    This thesis work deals with the coupling mechanisms between an electron, water molecules or protic species (hydronium ion, hydroxyl radical). Two complementary studies have been carry out in pure aqueous phases. The first one is concerned with the structural aspect of the hydrated electron which is studied via a semi-quantum approach Splitting Operator Method. The results indicates the importance of the second hydration shell in the localisation of an electron at 77 and 300 Kelvin. The second part of this work relates to the dynamic of the primary processes in light or heavy water at room temperature: the ion-molecule reaction, radical pair formation, geminate recombination of the hydrated electron with the hydronium ion and the hydroxyl radical. The dynamic of these reactions is studied by time resolved absorption spectroscopy from the near infrared to the near ultraviolet with a few tens femto-seconds temporal precision. The analysis of the primary processes takes into account the protic properties of water molecules. (author) [fr

  11. Photochemical approach to high-barrier films for the encapsulation of flexible laminary electronic devices

    Prager, L., E-mail: lutz.prager@iom-leipzig.de [Leibniz-Institut für Oberflächenmodifizierung e.V., Permoserstr. 15, 04318 Leipzig (Germany); Helmstedt, U. [Leibniz-Institut für Oberflächenmodifizierung e.V., Permoserstr. 15, 04318 Leipzig (Germany); Herrnberger, H. [Solarion AG, Pereser Höhe 1, Breitscheidstraße 45, 04442 Zwenkau (Germany); Kahle, O. [Fraunhofer-Einrichtung für Polymermaterialien und Composite PYCO, Kantstraße 55, 14513 Teltow (Germany); Kita, F. [AZ Electronic Materials Germany GmbH, Rheingaustraße 190-196, 65203 Wiesbaden (Germany); Münch, M. [Solarion AG, Pereser Höhe 1, Breitscheidstraße 45, 04442 Zwenkau (Germany); Pender, A.; Prager, A.; Gerlach, J.W. [Leibniz-Institut für Oberflächenmodifizierung e.V., Permoserstr. 15, 04318 Leipzig (Germany); Stasiak, M. [Fraunhofer-Einrichtung für Polymermaterialien und Composite PYCO, Kantstraße 55, 14513 Teltow (Germany)

    2014-11-03

    Based on results of preceding research and development, thin gas barriers were made by wet application of perhydropolysilazane solution onto polymer films and its subsequent photo-initiated conversion to dense silica layers applying vacuum ultraviolet irradiation. Compared to the state of the art, these layers were sufficiently improved and characterized by spectroscopic methods, by scanning electron microscopy and by gas permeation measurements. Water vapor transmission rates (WVTR) below 10{sup −2} g m{sup −2} d{sup −1} were achieved. In this way, single barrier films were developed and produced on a pilot plant from roll to roll, 250 mm wide, at speeds up to 10 m min{sup −1}. Two films were laminated using adhesives curable with ultraviolet (UV) light and evaluated by peel tests, gas permeation measurement and climate testing. It could be shown that the described high-barrier laminates which exhibit WVTR ≈ 5 × 10{sup −4} g m{sup −2} d{sup −1}, determined by the calcium mirror method, are suitable for encapsulation of flexible thin-film photovoltaic modules. Durability of the encapsulated modules could be verified in several climate tests including damp-heat, thermo-cycle (heating, freezing, wetting) and UV exposures which are equivalent to more than 20 years of endurance at outdoor conditions in temperate climate. In the frame of further research and technical development it seems to be possible to design a cost efficient industrial scale process for the production of encapsulation films for photovoltaic applications. - Highlights: • Dense silica barrier layers were developed by a photochemical approach. • Polymer based barrier films were laminated yielding flexible high-barrier films. • Using these laminates photovoltaic test modules were encapsulated and tested. • A durability of more than 20 years at outdoor conditions could be proved.

  12. New Approach For Detection Of Irradiated Spices Using Electron Spin Resonance (ESR)

    FARAG, S.A.; SHAMS EL DIEEN, N.M.M.

    2010-01-01

    Black pepper and anise samples were irradiated with different doses of gamma rays (5, 10 and 20 kGy) then the irradiated samples were stored at room temperature (20 0 C, 70-75 % RH) for one year. The measurements of free radicals were carried out by electron spin resonance (ESR) at different intervals (3, 6, 9 and 12 months). A series of signals tentatively described as cellulose-like and complex radical observed at G values were 2.01027 for black pepper and 2.01019 for anise. The ESR signals of irradiated spices showed a directly proportional relationship for increasing dose with increasing intensity of signal. A relationship was noticed as polynomial regression analysis resulted between signals of ESR intensity and applied doses with significant values of correlation coefficient (R 2 ). All combination treatments of thermal and irradiation beside long storage caused significant reduction of ESR intensity of irradiated black pepper and anise. Upon using low doses as 1, 2 and 3 kGy for re-irradiation, the irradiated samples (10 and 20 kGy) increased the power of ESR intensity. The enhancement effect was markedly increased. For example, the irradiated black pepper (10 kGy) increased the ESR intensity with high percentages as 49.19%, 69.23% and 89.68% while the high dose (20 kGy) caused increase by 39.96%, 69.05% and 96.90% for irradiated black pepper samples. This approach with that technique can be used easily to overcome the main disadvantages of ESR signals fading especially at the end of storage period.

  13. A deep convolutional neural network approach to single-particle recognition in cryo-electron microscopy.

    Zhu, Yanan; Ouyang, Qi; Mao, Youdong

    2017-07-21

    Single-particle cryo-electron microscopy (cryo-EM) has become a mainstream tool for the structural determination of biological macromolecular complexes. However, high-resolution cryo-EM reconstruction often requires hundreds of thousands of single-particle images. Particle extraction from experimental micrographs thus can be laborious and presents a major practical bottleneck in cryo-EM structural determination. Existing computational methods for particle picking often use low-resolution templates for particle matching, making them susceptible to reference-dependent bias. It is critical to develop a highly efficient template-free method for the automatic recognition of particle images from cryo-EM micrographs. We developed a deep learning-based algorithmic framework, DeepEM, for single-particle recognition from noisy cryo-EM micrographs, enabling automated particle picking, selection and verification in an integrated fashion. The kernel of DeepEM is built upon a convolutional neural network (CNN) composed of eight layers, which can be recursively trained to be highly "knowledgeable". Our approach exhibits an improved performance and accuracy when tested on the standard KLH dataset. Application of DeepEM to several challenging experimental cryo-EM datasets demonstrated its ability to avoid the selection of un-wanted particles and non-particles even when true particles contain fewer features. The DeepEM methodology, derived from a deep CNN, allows automated particle extraction from raw cryo-EM micrographs in the absence of a template. It demonstrates an improved performance, objectivity and accuracy. Application of this novel method is expected to free the labor involved in single-particle verification, significantly improving the efficiency of cryo-EM data processing.

  14. Understanding key factors affecting electronic medical record implementation: a sociotechnical approach.

    Cucciniello, Maria; Lapsley, Irvine; Nasi, Greta; Pagliari, Claudia

    2015-07-17

    Recent health care policies have supported the adoption of Information and Communication Technologies (ICT) but examples of failed ICT projects in this sector have highlighted the need for a greater understanding of the processes used to implement such innovations in complex organizations. This study examined the interaction of sociological and technological factors in the implementation of an Electronic Medical Record (EMR) system by a major national hospital. It aimed to obtain insights for managers planning such projects in the future and to examine the usefulness of Actor Network Theory (ANT) as a research tool in this context. Case study using documentary analysis, interviews and observations. Qualitative thematic analysis drawing on ANT. Qualitative analyses revealed a complex network of interactions between organizational stakeholders and technology that helped to shape the system and influence its acceptance and adoption. The EMR clearly emerged as a central 'actor' within this network. The results illustrate how important it is to plan innovative and complex information systems with reference to (i) the expressed needs and involvement of different actors, starting from the initial introductory phase; (ii) promoting commitment to the system and adopting a participative approach; (iii) defining and resourcing new roles within the organization capable of supporting and sustaining the change and (iv) assessing system impacts in order to mobilize the network around a common goal. The paper highlights the organizational, cultural, technological, and financial considerations that should be taken into account when planning strategies for the implementation of EMR systems in hospital settings. It also demonstrates how ANT may be usefully deployed in evaluating such projects.

  15. Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems

    Andrade, Xavier; Strubbe, David; De Giovannini, Umberto; Larsen, Ask Hjorth; Oliveira, Micael J. T.; Alberdi-Rodriguez, Joseba; Varas, Alejandro; Theophilou, Iris; Helbig, Nicole; Verstraete, Matthieu J.; Stella, Lorenzo; Nogueira, Fernando; Aspuru-Guzik, Alán; Castro, Alberto; Marques, Miguel A. L.; Rubio, Angel

    Real-space grids are a powerful alternative for the simulation of electronic systems. One of the main advantages of the approach is the flexibility and simplicity of working directly in real space where the different fields are discretized on a grid, combined with competitive numerical performance and great potential for parallelization. These properties constitute a great advantage at the time of implementing and testing new physical models. Based on our experience with the Octopus code, in this article we discuss how the real-space approach has allowed for the recent development of new ideas for the simulation of electronic systems. Among these applications are approaches to calculate response properties, modeling of photoemission, optimal control of quantum systems, simulation of plasmonic systems, and the exact solution of the Schr\\"odinger equation for low-dimensionality systems.

  16. Real-space local polynomial basis for solid-state electronic-structure calculations: A finite-element approach

    Pask, J.E.; Klein, B.M.; Fong, C.Y.; Sterne, P.A.

    1999-01-01

    We present an approach to solid-state electronic-structure calculations based on the finite-element method. In this method, the basis functions are strictly local, piecewise polynomials. Because the basis is composed of polynomials, the method is completely general and its convergence can be controlled systematically. Because the basis functions are strictly local in real space, the method allows for variable resolution in real space; produces sparse, structured matrices, enabling the effective use of iterative solution methods; and is well suited to parallel implementation. The method thus combines the significant advantages of both real-space-grid and basis-oriented approaches and so promises to be particularly well suited for large, accurate ab initio calculations. We develop the theory of our approach in detail, discuss advantages and disadvantages, and report initial results, including electronic band structures and details of the convergence of the method. copyright 1999 The American Physical Society

  17. Long-term effects of the water-accomodated fraction (WAF) of diesel oil on rocky shore populations maintained in experimental mesocosms

    Bokn, T.L. [Norwegian Inst. for Water Research, Oslo (Norway); Moy, F.E. [Norwegian Inst. for Water Research, Oslo (Norway); Murray, S.N. [California State Univ., Fullerton, CA (United States). Dept. of Biological Science

    1993-12-31

    The long-term effects of continuous doses (average hydrocarbon concentration =129.4 {mu}g L{sup -1} and 30.1 {mu}g L{sup -1}) of the water-accommodated fraction (WAF) of diesel oil on 15 rocky littoral populations were determined at three tidal levels in experimental mesocosms over two years. At each tidal level, most species exhibited similar abundance changes in both oil-contaminated and control (average background hydrocarbon concentration = 5.6 {mu}g L{sup -1}) mesocosms. Significant changes in species abundances attributable to oil (WAF) were demonstrated for only two of ten seaweeds and three of five invertebrates. Compared with the other mesocosms, significantly greater reductions in upper-level cover were recorded in the basin receiving the highest oil dosage for the seaweeds Phymatolithon lenormandii and Fucus evanescents together with lower recruitment of the barnacle Semibalanus balanoides. The mussel Mytilus edulis was storngly affected by the oil treatments and essentially disappeared from both oil-contaminated mesocosms. Numbers of the starfish Asterias rubens also fell to zero at the lowest tidal level in the basin receiving the highest oil dosage. There were no demonstrable differences in the abundance patterns of the gastropod Littorina littorea, the crab Carcinus maenus, and a total of eight brown (Ascophyllum nodosum, Fucus serratus, F. vesiculosus, Laminaria digitata), red (Chondrus crispus), and green (Cladophora rupestris, Enteromorpha spp., Ulva lactuca) seaweeds in the oil-contaminated compared with the control mesocosms. (orig.)

  18. Long-term effects of the water-accomodated fraction (WAF) of diesel oil on rocky shore populations maintained in experimental mesocosms

    Bokn, T.L.; Moy, F.E.; Murray, S.N.

    1993-01-01

    The long-term effects of continuous doses (average hydrocarbon concentration =129.4 μg L -1 and 30.1 μg L -1 ) of the water-accommodated fraction (WAF) of diesel oil on 15 rocky littoral populations were determined at three tidal levels in experimental mesocosms over two years. At each tidal level, most species exhibited similar abundance changes in both oil-contaminated and control (average background hydrocarbon concentration = 5.6 μg L -1 ) mesocosms. Significant changes in species abundances attributable to oil (WAF) were demonstrated for only two of ten seaweeds and three of five invertebrates. Compared with the other mesocosms, significantly greater reductions in upper-level cover were recorded in the basin receiving the highest oil dosage for the seaweeds Phymatolithon lenormandii and Fucus evanescents together with lower recruitment of the barnacle Semibalanus balanoides. The mussel Mytilus edulis was storngly affected by the oil treatments and essentially disappeared from both oil-contaminated mesocosms. Numbers of the starfish Asterias rubens also fell to zero at the lowest tidal level in the basin receiving the highest oil dosage. There were no demonstrable differences in the abundance patterns of the gastropod Littorina littorea, the crab Carcinus maenus, and a total of eight brown (Ascophyllum nodosum, Fucus serratus, F. vesiculosus, Laminaria digitata), red (Chondrus crispus), and green (Cladophora rupestris, Enteromorpha spp., Ulva lactuca) seaweeds in the oil-contaminated compared with the control mesocosms. (orig.)

  19. Communication: Multireference equation of motion coupled cluster: A transform and diagonalize approach to electronic structure

    Nooijen, M.; Demel, Ondřej; Datta, D.; Kong, L.; Shamasundar, K. R.; Lotrich, V.; Huntington, L. M.; Neese, F.

    2014-01-01

    Roč. 140, č. 8 (2014), 081102 ISSN 0021-9606 R&D Projects: GA ČR GPP208/10/P041; GA ČR GAP208/11/2222 Institutional support: RVO:61388955 Keywords : Electronic states * Electronic structure * Equations of motion Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.952, year: 2014

  20. Connecting Print and Electronic Titles: An Integrated Approach at the University of Nebraska-Lincoln

    Wolfe, Judith; Konecky, Joan Latta; Boden, Dana W. R.

    2011-01-01

    Libraries make heavy investments in electronic resources, with many of these resources reflecting title changes, bundled subsets, or content changes of formerly print material. These changes can distance the electronic format from its print origins, creating discovery and access issues. A task force was formed to explore the enhancement of catalog…

  1. New real space correlated-basis-functions approach for the electron correlations of the semiconductor inversion layer

    Feng Weiguo; Wang Hongwei; Wu Xiang

    1989-12-01

    Based on the real space Correlated-Basis-Functions theory and the collective oscillation behaviour of the electron gas with effective Coulomb interaction, the many body wave function is obtained for the quasi-two-dimensional electron system in the semiconductor inversion layer. The pair-correlation function and the correlation energy of the system have been calculated by the integro-differential method in this paper. The comparison with the other previous theoretical results is also made. The new theoretical approach and its numerical results show that the pair-correlation functions are definitely positive and satisfy the normalization condition. (author). 10 refs, 2 figs

  2. An Open Architecture Framework for Electronic Warfare Based Approach to HLA Federate Development

    HyunSeo Kang

    2018-01-01

    Full Text Available A variety of electronic warfare models are developed in the Electronic Warfare Research Center. An Open Architecture Framework for Electronic Warfare (OAFEw has been developed for reusability of various object models participating in the electronic warfare simulation and for extensibility of the electronic warfare simulator. OAFEw is a kind of component-based software (SW lifecycle management support framework. This OAFEw is defined by six components and ten rules. The purpose of this study is to construct a Distributed Simulation Interface Model, according to the rules of OAFEw, and create Use Case Model of OAFEw Reference Conceptual Model version 1.0. This is embodied in the OAFEw-FOM (Federate Object Model for High-Level Architecture (HLA based distributed simulation. Therefore, we design and implement EW real-time distributed simulation that can work with a model in C++ and MATLAB API (Application Programming Interface. In addition, OAFEw-FOM, electronic component model, and scenario of the electronic warfare domain were designed through simple scenarios for verification, and real-time distributed simulation between C++ and MATLAB was performed through OAFEw-Distributed Simulation Interface.

  3. Charge transfer dynamics from adsorbates to surfaces with single active electron and configuration interaction based approaches

    Ramakrishnan, Raghunathan, E-mail: r.ramakrishnan@unibas.ch [Institute of Physical Chemistry, National Center for Computational Design and Discovery of Novel Materials (MARVEL), Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Nest, Mathias [Theoretische Chemie, Technische Universität München, Lichtenbergstr. 4, 85747 Garching (Germany)

    2015-01-13

    Highlights: • We model electron dynamics across cyano alkanethiolates attached to gold cluster. • We present electron transfer time scales from TD-DFT and TD-CI based simulations. • Both DFT and CI methods qualitatively predict the trend in time scales. • TD-CI predicts the experimental relative time scale very accurately. - Abstract: We employ wavepacket simulations based on many-body time-dependent configuration interaction (TD-CI), and single active electron theories, to predict the ultrafast molecule/metal electron transfer time scales, in cyano alkanethiolates bonded to model gold clusters. The initial states represent two excited states where a valence electron is promoted to one of the two virtual π{sup ∗} molecular orbitals localized on the cyanide fragment. The ratio of the two time scales indicate the efficiency of one charge transfer channel over the other. In both our one-and many-electron simulations, this ratio agree qualitatively with each other as well as with the previously reported experimental time scales (Blobner et al., 2012), measured for a macroscopic metal surface. We study the effect of cluster size and the description of electron correlation on the charge transfer process.

  4. A Theoretical Approach to Electronic Prescription System: Lesson Learned from Literature Review

    Samadbeik, Mahnaz; Ahmadi, Maryam; Hosseini Asanjan, Seyed Masoud

    2013-01-01

    Context The tendency to use advanced technology in healthcare and the governmental policies have put forward electronic prescription. Electronic prescription is considered as the main solution to overcome the major drawbacks of the paper-based medication prescription, such as transcription errors. This study aims to provide practical information concerning electronic prescription system to a variety of stakeholders. Evidence Acquisition In this review study, PubMed, ISI Web of Science, Scopus, EMBASE databases, Iranian National Library Of Medicine (INLM) portal, Google Scholar, Google and Yahoo were searched for relevant English publications concerning the problems of paper-based prescription, and concept, features, levels, benefits, stakeholders and standards of electronic prescription system. Results There are many problems with the paper prescription system which, according to studies have jeopardized patients’ safety and negatively affected the outcomes of medication therapy. All of these problems are remedied through the implementation of e-prescriptions. Conclusions The sophistication of electronic prescription and integration with EHR will become a reality, if all its stakeholders collaborate in developing fast and secure electronic prescription systems. It is plausible that the required infrastructure should be provided for implementation of the national integrated electronic prescription systems in countries without the system. Given the barriers to the implementation and use, policymakers should consider multiple strategies and offer incentives to encourage e-prescription initiatives. This will result in widespread adoption of the system. PMID:24693376

  5. A combined experimental and analytical approach for interface fracture parameters of dissimilar materials in electronic packages

    Kay, N.R.; Ghosh, S.; Guven, I.; Madenci, E.

    2006-01-01

    This study concerns the development of a combined experimental and analytical technique to determine the critical values of fracture parameters for interfaces between dissimilar materials in electronic packages. This technique utilizes specimens from post-production electronic packages. The mechanical testing is performed inside a scanning electron microscope while the measurements are achieved by means of digital image correlation. The measured displacements around the crack tip are used as the boundary conditions for the analytical model to compute the energy release rate. The critical energy release rate values obtained from post-production package specimens are obtained to be lower than those laboratory specimens

  6. Influence of Ocean Acidification on a Natural Winter-to-Summer Plankton Succession: First Insights from a Long-Term Mesocosm Study Draw Attention to Periods of Low Nutrient Concentrations.

    Lennart T Bach

    Full Text Available Every year, the oceans absorb about 30% of anthropogenic carbon dioxide (CO2 leading to a re-equilibration of the marine carbonate system and decreasing seawater pH. Today, there is increasing awareness that these changes-summarized by the term ocean acidification (OA-could differentially affect the competitive ability of marine organisms, thereby provoking a restructuring of marine ecosystems and biogeochemical element cycles. In winter 2013, we deployed ten pelagic mesocosms in the Gullmar Fjord at the Swedish west coast in order to study the effect of OA on plankton ecology and biogeochemistry under close to natural conditions. Five of the ten mesocosms were left unperturbed and served as controls (~380 μatm pCO2, whereas the others were enriched with CO2-saturated water to simulate realistic end-of-the-century carbonate chemistry conditions (~760 μatm pCO2. We ran the experiment for 113 days which allowed us to study the influence of high CO2 on an entire winter-to-summer plankton succession and to investigate the potential of some plankton organisms for evolutionary adaptation to OA in their natural environment. This paper is the first in a PLOS collection and provides a detailed overview on the experimental design, important events, and the key complexities of such a "long-term mesocosm" approach. Furthermore, we analyzed whether simulated end-of-the-century carbonate chemistry conditions could lead to a significant restructuring of the plankton community in the course of the succession. At the level of detail analyzed in this overview paper we found that CO2-induced differences in plankton community composition were non-detectable during most of the succession except for a period where a phytoplankton bloom was fueled by remineralized nutrients. These results indicate: (1 Long-term studies with pelagic ecosystems are necessary to uncover OA-sensitive stages of succession. (2 Plankton communities fueled by regenerated nutrients may be

  7. A two potential embedding approach to the electronic structure of disordered binary alloys

    Ahmed, M.; Mookerjee, A.

    1988-06-01

    Using an embedding technique introduced in a recent publication by one of us, we study the electronic structure of disordered binary alloys within a pair-cluster coherent potential approximation. (author). 4 refs, 3 figs

  8. Non-relativistic electron transport in metals: a Monte Carlo approach

    Rahimi, F.; Ghal eh, N.

    2001-01-01

    A simple Monte Carlo procedure is described for simulating the multiple scattering and absorption of electrons with the incident energy in the range 1-50 keV moving through a slab of uniformly distributed material of given atomic number, density and thickness. The simulation is based on a screened Rutherford cross-section and Bethe continuous energy-loss equation. A FORTRAN program is written to determine backscattering, transmission and absorption coefficients, providing the user with a graphical output of the electron trajectories. The results of several simulations are presented by using various numbers of electrons, showing a good agreement with the experiment. The program is used to analyze the relation between the energy and the range of electron in the slab, the backscattering, absorption, transmission coefficients and the angular distribution

  9. Laser wakefield electron acceleration. A novel approach employing supersonic microjets and few-cycle laser pulses

    Schmid, Karl

    2011-01-01

    This thesis covers the few-cycle laser-driven acceleration of electrons in a laser-generated plasma. This process, known as laser wakefield acceleration (LWFA), relies on strongly driven plasma waves for the generation of accelerating gradients in the vicinity of several 100 GV/m, a value four orders of magnitude larger than that attainable by conventional accelerators. This thesis demonstrates that laser pulses with an ultrashort duration of 8 fs and a peak power of 6 TW allow the production of electron energies up to 50 MeV via LWFA. The special properties of laser accelerated electron pulses, namely the ultrashort pulse duration, the high brilliance, and the high charge density, open up new possibilities in many applications of these electron beams. (orig.)

  10. Optimising waste from electric and electronic equipment collection systems: a comparison of approaches in European countries.

    Friege, Henning; Oberdörfer, Michael; Günther, Marko

    2015-03-01

    The first European waste from electric and electronic equipment directive obliged the Member States to collect 4 kg of used devices per inhabitant and year. The target of the amended directive focuses on the ratio between the amount of waste from electric and electronic equipment collected and the mass of electric and electronic devices put on the market in the three foregoing years. The minimum collection target is 45% starting in 2016, being increased to 65% in 2019 or alternatively 85% of waste from electric and electronic equipment generated. Being aware of the new target, the question arises how Member States with 'best practice' organise their collection systems and how they enforce the parties in this playing field. Therefore the waste from electric and electronic equipment schemes of Sweden, Denmark, Switzerland, Germany and the Flemish region of Belgium were investigated focusing on the categories IT and telecommunications equipment, consumer equipment like audio systems and discharge lamps containing hazardous substances, e.g. mercury. The systems for waste from electric and electronic equipment collection in these countries vary considerably. Recycling yards turned out to be the backbone of waste from electric and electronic equipment collection in most countries studied. For discharge lamps, take-back by retailers seems to be more important. Sampling points like special containers in shopping centres, lidded waste bins and complementary return of used devices in all retail shops for electric equipment may serve as supplements. High transparency of collection and recycling efforts can encourage ambition among the concerned parties. Though the results from the study cannot be transferred in a simplistic manner, they serve as an indication for best practice methods for waste from electric and electronic equipment collection. © The Author(s) 2015.

  11. Quantum inelastic electron-vibration scattering in molecular wires: Landauer-like versus Green's function approaches and temperature effects

    Ness, H

    2006-01-01

    In this paper, we consider the problem of inelastic electron transport in molecular systems in which both electronic and vibrational degrees of freedom are considered on the quantum level. The electronic transport properties of the corresponding molecular nanojunctions are obtained by means of a non-perturbative Landauer-like multi-channel inelastic scattering technique. The connections between this approach and other Green's function techniques that are useful in particular cases are studied in detail. The validity of the wide-band approximation, the effects of the lead self-energy and the dynamical polaron shift are also studied for a wide range of parameters. As a practical application of the method, we consider the effects of the temperature on the conductance properties of molecular breakjunctions in relation to recent experiments

  12. Inventory of electronic money as method of its control: process approach

    A.Р. Semenets

    2016-09-01

    Full Text Available The extent of legal regulation of inventory of electronic money in the company is considered. The absence of developed techniques of valuation as well as reflection of electronic money on the accounts, which results in distortion of indicators of financial statements are detected. The author develops the organizational and methodical provisions of inventory of electronic money in accordance with the stages that will ensure the avoidance of misstatements in the financial statements and providing users with more reliable information about the amount and as well as oddments of electronic money at the company on the balance sheet date. The effect of accounting policies, provisions for the organization of accounting as well as job description on the control system for transactions with electronic money, including their inventory, are determined. The author discovers the typical violations that occur during reflecting the transactions with electronic money in accounting, early detection of which will enable appropriate adjustments for the avoidance of misstatements of the information provided in the financial statements of the company.

  13. Contrasting response to nutrient manipulation in Arctic mesocosms are reproduced by a minimum microbial food web model.

    Larsen, Aud; Egge, Jorun K; Nejstgaard, Jens C; Di Capua, Iole; Thyrhaug, Runar; Bratbak, Gunnar; Thingstad, T Frede

    2015-03-01

    A minimum mathematical model of the marine pelagic microbial food web has previously shown to be able to reproduce central aspects of observed system response to different bottom-up manipulations in a mesocosm experiment Microbial Ecosystem Dynamics (MEDEA) in Danish waters. In this study, we apply this model to two mesocosm experiments (Polar Aquatic Microbial Ecology (PAME)-I and PAME-II) conducted at the Arctic location Kongsfjorden, Svalbard. The different responses of the microbial community to similar nutrient manipulation in the three mesocosm experiments may be described as diatom-dominated (MEDEA), bacteria-dominated (PAME-I), and flagellated-dominated (PAME-II). When allowing ciliates to be able to feed on small diatoms, the model describing the diatom-dominated MEDEA experiment give a bacteria-dominated response as observed in PAME I in which the diatom community comprised almost exclusively small-sized cells. Introducing a high initial mesozooplankton stock as observed in PAME-II, the model gives a flagellate-dominated response in accordance with the observed response also of this experiment. The ability of the model originally developed for temperate waters to reproduce population dynamics in a 10°C colder Arctic fjord, does not support the existence of important shifts in population balances over this temperature range. Rather, it suggests a quite resilient microbial food web when adapted to in situ temperature. The sensitivity of the model response to its mesozooplankton component suggests, however, that the seasonal vertical migration of Arctic copepods may be a strong forcing factor on Arctic microbial food webs.

  14. Growth characteristics and nutrient removal capability of eco-ditch plants in mesocosm sediment receiving primary domestic wastewater.

    Kumwimba, Mathieu Nsenga; Zhu, Bo; Muyembe, Diana Kavidia; Dzakpasu, Mawuli

    2017-10-01

    Eco-ditches are being explored to maximize their capability of capturing pollutants and mitigate any harmful side effects in rivers. In this study, mesocosm plastic drum sediment and field experiments were set up to screen 18 plant species found in ditches and identify those with potential for high biomass production and nutrients removal. Terrestrial plants grown in the mesocosm system were shown to be able to acclimate to aquatic conditions and to survive in primary domestic sewage. About 73-95% increase in plant biomass was recorded. Removal efficiencies for total nitrogen, total phosphorus, and ammonium-nitrogen from the sewage of 72-99%, 64-99%, and 75-100%, respectively, were recorded. Furthermore, complete removal of the applied nitrate-nitrogen load was achieved in mesocosm systems. Findings also show that all species, but especially Acorus calamus, Canna indica, Canna lily, Cyperus alternifolius, Colocasia gigantea, Eichhornia crassipes, Iris sibirica, and Typha latifolia had the highest efficiencies for nitrogen and phosphorous removal. The N and P mass balance analysis demonstrated that plant uptake and sediment N and P accumulation accounted for 41-86% and 18-49% of the total influent TN and TP loads, respectively. In addition, the amounts of nitrogen and phosphorous uptake by these plant species were influenced significantly by biomass. The field-culture experiment further identified Canna indica followed by Cyperus alternifolius as the most promising for high biomass production and nutrients uptake. Therefore, these plants may be recommended for extensive use in treating highly eutrophicated rivers. Outcomes of this work can be useful for model design specifications in eco-ditch mitigation of sewage pollution.

  15. Preliminary experiments to estimate the PE.MA.M (PElagic MArine Mesocosm) offshore behaviour

    Albani, Marta; Piermattei, Viviana; Stefanì, Chiara; Marcelli, Marco

    2016-04-01

    The phytoplankton community is controlled not only by local environmental conditions but also by physical processes occurring on different temporal and spatial scales. Hydrodynamic local conditions play an important role in marine ecosystems. Several studies have shown that hydrodynamic conditions can influence the phytoplankton settling velocity, vertical and horizontal distribution and formation of cyanobacterial blooms. Mesocosms are useful structures to simulate marine environment at mesoscale resolution; allowing to closely approximate biotic or abiotic parameters of interest directly in nature. In this work an innovative structure named PE.MA.M (PElagic MArine Mesocosm) is presented and tested. Laboratory experiments have been conducted in order to observe seasonal variations of biomass behaviour in two different hydrodynamic conditions: outside as well as whithin the PE.MA.M. We have evaluated whether it is possible to isolate a natural system from external water mass hydrodynamic exchanges and to assume that phytoplankton cells' transition is limited at the net and sea interface. Preliminary experiments test the isolating capacity of the net, to determine the currents' attenuation rate and to estimate the possible PE.MA.M. offshore behaviour. In the first investigation, we monitored the diffusion of phytoplankton cells. The PE.MA.M. exterior and interior were simulated using a plexiglass tank divided into two half-tanks (Aout-Bin) by a septum consisting of a net like a PE.MA.M. The tank was filled up with 10 L of water and only the half-tank Aout was filled up with 10 ml of phytoplankton culture (Clorella sp.). We monitored the chlorophyll concentrations for 24 hours. The two tanks had similar concentrations after 4 hours (2.70322 mg/m³ Aout and 2.37245 mg/m3 Bin) and this constant relationship was maintened until the end of the test. In the second investigation we used clod cards to measure water motions.We conducted two experiments within tank, the first

  16. Lie algebraic approach to valence bond theory of π-electron systems: a preliminary study of excited states

    Paldus, J.; Li, X.

    1992-10-01

    Following a brief outline of various developments and exploitations of the unitary group approach (UGA), and its extension referred to as Clifford algebra UGA (CAUGA), in molecular electronic structure calculations, we present a summary of a recently introduced implementation of CAUGA for the valence bond (VB) method based on the Pariser-Parr-Pople (PPP)-type Hamiltonian. The existing applications of this PPP-VB approach have been limited to groundstates of various π-electron systems or, at any rate, to the lowest states of a given multiplicity. In this paper the method is applied to the low-lying excited states of several archetypal models, namely cyclobutadiene and benzene, representing antiaromatic and aromatic systems, hexatriene, representing linear polyenic systems and, finally, naphthalene, representing polyacenes.

  17. Dimer and cluster approach for the evaluation of electronic couplings governing charge transport: Application to two pentacene polymorphs

    Canola, Sofia; Pecoraro, Claudia; Negri, Fabrizia

    2016-01-01

    Hole transport properties are modeled for two polymorphs of pentacene: the single crystal polymorph and the thin film polymorph relevant for organic thin-film transistor applications. Electronic couplings are evaluated in the standard dimer approach but also considering a cluster approach in which the central molecule is surrounded by a large number of molecules quantum-chemically described. The effective electronic couplings suitable for the parametrization of a tight-binding model are derived either from the orthogonalization scheme limited to HOMO orbitals and from the orthogonalization of the full basis of molecular orbitals. The angular dependent mobilities estimated for the two polymorphs using the predicted pattern of couplings display different anisotropy characteristics as suggested from experimental investigations.

  18. Dimer and cluster approach for the evaluation of electronic couplings governing charge transport: Application to two pentacene polymorphs

    Canola, Sofia; Pecoraro, Claudia; Negri, Fabrizia

    2016-10-20

    Hole transport properties are modeled for two polymorphs of pentacene: the single crystal polymorph and the thin film polymorph relevant for organic thin-film transistor applications. Electronic couplings are evaluated in the standard dimer approach but also considering a cluster approach in which the central molecule is surrounded by a large number of molecules quantum-chemically described. The effective electronic couplings suitable for the parametrization of a tight-binding model are derived either from the orthogonalization scheme limited to HOMO orbitals and from the orthogonalization of the full basis of molecular orbitals. The angular dependent mobilities estimated for the two polymorphs using the predicted pattern of couplings display different anisotropy characteristics as suggested from experimental investigations.

  19. Genotoxic pressure of vineyard pesticides in fish: field and mesocosm surveys.

    Bony, S; Gillet, C; Bouchez, A; Margoum, C; Devaux, A

    2008-09-17

    The present study deals with the genotoxicity assessment of vineyard pesticides in fish exposed in the field or in mesocosm conditions. Primary DNA damage was quantified as strand breaks using the single cell gel electrophoresis assay (Comet assay) applied to fish erythrocytes. In a first experiment, a significant genotoxic effect was observed following an upstream-downstream gradient in early life stages of brown trout (Salmo trutta fario) exposed in the Morcille River contaminated by a mixture of vineyard pesticides during three consecutive years. The pronounced response in terms of DNA damage reported in the present study could argue for a high sensitivity of fish early life stage and/or a high level of exposure to genotoxic compounds in the Morcille River. This stresses the interest in using trout larvae incubated in sediment bed to assess genotoxic compounds in the field. In a second experiment, adult European topminnow (Phoxinus phoxinus) were exposed in water running through artificial channels to a mixture of diuron and azoxystrobin, two of the main pesticides detected in the Morcille watershed. As compared with the unexposed channel, a 3-5-fold increase in the DNA damage was observed in fish exposed to chronic environmental pesticide concentrations (1-2 microg L(-1) for diuron and 0.5-1 microg L(-1) for axoxystrobin). A single 6h pulse of pesticide (14 microg L(-1) of diuron and 7 microg L(-1) of azoxystrobin) was applied to simulate transiently elevated chemical concentrations in the river following storm conditions. It did not increase genotoxicity. After a 1-month recovery period, DNA damage in exposed fish erythrocytes recovered to unexposed level, suggesting possible involvement of both repair mechanisms and cellular turnover in this transient response. This work highlights that vineyard treatment by pesticides and in particular diuron and azoxystrobin can represent a genotoxic threat to fish from contaminated watershed rivers.

  20. Interactions of an insecticide, herbicide, and natural stressors in amphibian community mesocosms

    Boone, M.D.; James, S.M.

    2003-01-01

    Amphibians developing in wetlands embedded within or near agricultural lands may frequently encounter chemical mixtures. The objectives of our study were to determine the effects that post-application concentrations of an insecticide (carbaryl) and an herbicide (atrazine) have on body mass, development, and survival of two anuran species (southern leopard frog, Rana sphenocephala; American toad, Bufo americanus) and two caudate species (spotted salamander, Ambystoma maculatum; small-mouthed salamander, A. texanum) reared in outdoor cattle tank mesocosms. In one experiment, we manipulated tadpole density (low or high), carbaryl exposure (0, 3.5, 7.0 mg/L), and atrazine exposure (0 or 200 μg/L) to test for effects on development, mass, and survival of larvae. In a second experiment, we manipulated pond hydroperiod (constant or drying), carbaryl exposure (0 or 5 mg/L), and atrazine exposure (0 or 200 μg/L) to test for effects on mass, time, and survival to metamorphosis. Salamanders were virtually eliminated in carbaryl treatments, indicating that at realistic levels, this insecticide could cause population declines for salamanders in contaminated habitats. Carbaryl also had negative effects on toad survival. Exposure to atrazine had negative effects on body size, development, and time to metamorphosis in anuran species, which were associated with reduced chlorophyll levels. Both chemicals interacted significantly with density or hydroperiod, indicating that the environmental conditions could influence the impact of a contaminant. A significant atrazine-by-carbaryl interaction resulted in smaller and less developed spotted salamander larvae than in control ponds. Atrazine exposure, however, appeared to moderate negative effects of carbaryl for spotted salamanders. Our research suggests that important changes in the community's food web result from chemical exposure, which influence the susceptibility of amphibian species to contaminants.

  1. Ocean acidification effects on mesozooplankton community development: Results from a long-term mesocosm experiment

    Algueró-Muñiz, María; Alvarez-Fernandez, Santiago; Thor, Peter; Bach, Lennart T.; Esposito, Mario; Horn, Henriette G.; Ecker, Ursula; Langer, Julia A. F.; Taucher, Jan; Malzahn, Arne M.; Riebesell, Ulf; Boersma, Maarten

    2017-01-01

    Ocean acidification may affect zooplankton directly by decreasing in pH, as well as indirectly via trophic pathways, where changes in carbon availability or pH effects on primary producers may cascade up the food web thereby altering ecosystem functioning and community composition. Here, we present results from a mesocosm experiment carried out during 113 days in the Gullmar Fjord, Skagerrak coast of Sweden, studying plankton responses to predicted end-of-century pCO2 levels. We did not observe any pCO2 effect on the diversity of the mesozooplankton community, but a positive pCO2 effect on the total mesozooplankton abundance. Furthermore, we observed species-specific sensitivities to pCO2 in the two major groups in this experiment, copepods and hydromedusae. Also stage-specific pCO2 sensitivities were detected in copepods, with copepodites being the most responsive stage. Focusing on the most abundant species, Pseudocalanus acuspes, we observed that copepodites were significantly more abundant in the high-pCO2 treatment during most of the experiment, probably fuelled by phytoplankton community responses to high-pCO2 conditions. Physiological and reproductive output was analysed on P. acuspes females through two additional laboratory experiments, showing no pCO2 effect on females’ condition nor on egg hatching. Overall, our results suggest that the Gullmar Fjord mesozooplankton community structure is not expected to change much under realistic end-of-century OA scenarios as used here. However, the positive pCO2 effect detected on mesozooplankton abundance could potentially affect biomass transfer to higher trophic levels in the future. PMID:28410436

  2. Combined effects of local habitat, anthropogenic stress, and dispersal on stream ecosystems: a mesocosm experiment.

    Turunen, Jarno; Louhi, Pauliina; Mykrä, Heikki; Aroviita, Jukka; Putkonen, Emmi; Huusko, Ari; Muotka, Timo

    2018-06-06

    The effects of anthropogenic stressors on community structure and ecosystem functioning can be strongly influenced by local habitat structure and dispersal from source communities. Catchment land uses increase the input of fine sediments into stream channels, clogging the interstitial spaces of benthic habitats. Aquatic macrophytes enhance habitat heterogeneity and mediate important ecosystem functions, being thus a key component of habitat structure in many streams. Therefore, the recovery of macrophytes following in-stream habitat modification may be prerequisite for successful stream restoration. Restoration success is also affected by dispersal of organisms from the source community, with potentially strongest responses in relatively isolated headwater sites that receive limited amount of dispersing individuals. We used a factorial design in a set of stream mesocosms to study the independent and combined effects of an anthropogenic stressor (sand sedimentation), local habitat (macrophytes, i.e. moss transplants) and enhanced dispersal (two levels: high vs. low) on organic matter retention, algal accrual rate, leaf decomposition and macroinvertebrate community structure. Overall, all responses were simple additive effects with no interactions between treatments. Sand reduced algal accumulation, total invertebrate density and density of a few individual taxa. Mosses reduced algal accrual rate and algae-grazing invertebrates, but enhanced organic matter retention and detritus- and filter-feeders. Mosses also reduced macroinvertebrate diversity by increasing the dominance by a few taxa. Mosses also reduced leaf-mass loss, possibly because the organic matter retained by mosses provided an additional food source for leaf-shredding invertebrates and thus reduced shredder aggregation into leaf packs. The effect of mosses on macroinvertebrate communities and ecosystem functioning was distinct irrespective of the level of dispersal, suggesting strong environmental

  3. High-resolution electron microscope image analysis approach for superconductor YBa2Cu3O7-x

    Xu, J.; Lu, F.; Jia, C.; Hua, Z.

    1991-01-01

    In this paper, an HREM (High-resolution electron microscope) image analysis approach has been developed. The image filtering, segmentation and particles extraction based on gray-scale mathematical morphological operations, are performed on the original HREM image. The final image is a pseudocolor image, with the background removed, relatively uniform brightness, filtered slanting elongation, regular shape for every kind of particle, and particle boundaries that no longer touch each other so that the superconducting material structure can be shown clearly

  4. Effects of CO2 on particle size distribution and phytoplankton abundance during a mesocosm bloom experiment (PeECE II

    M. Schartau

    2008-04-01

    Full Text Available The influence of seawater carbon dioxide (CO2 concentration on the size distribution of suspended particles (2–60 μm and on phytoplankton abundance was investigated during a mesocosm experiment at the large scale facility (LFS in Bergen, Norway, in the frame of the Pelagic Ecosystem CO2 Enrichment study (PeECE II. In nine outdoor enclosures the partial pressure of CO2 in seawater was modified by an aeration system to simulate past (~190 μatm CO2, present (~370 μatm CO2 and future (~700 μatm CO2 CO2 conditions in triplicates. Due to the initial addition of inorganic nutrients, phytoplankton blooms developed in all mesocosms and were monitored over a period of 19 days. Seawater samples were collected daily for analysing the abundance of suspended particles and phytoplankton with the Coulter Counter and with Flow Cytometry, respectively. During the bloom period, the abundance of small particles (2 levels. At that time, a direct relationship between the total-surface-to-total-volume ratio of suspended particles and DIC concentration was determined for all mesocosms. Significant changes with respect to the CO2 treatment were also observed in the phytoplankton community structure. While some populations such as diatoms seemed to be insensitive to the CO2 treatment, others like Micromonas spp. increased with CO2, or showed maximum abundance at present day CO2 (i.e. Emiliania huxleyi. The strongest response to CO2 was observed in the abundance of small autotrophic nano-plankton that strongly increased during the bloom in the past CO2 mesocosms. Together, changes in particle size distribution and phytoplankton community indicate a complex interplay between the ability of the cells to physiologically respond to changes in CO2 and size selection. Size of cells is of general importance for a variety of processes in marine systems such as diffusion-limited uptake of substrates, resource allocation, predator-prey interaction, and gravitational settling

  5. Linking foraging strategies of marine calanoid copepods to patterns of nitrogen stable isotope signatures in a mesocosm study

    Sommer, Frank; Saage, A.; Santer, B.

    2005-01-01

    foraging mode and, further, with its nitrogen stable isotope signature (delta(15)N). This is because a more carnivorous diet may be expected to result in a higher delta(15)N. We tested this hypothesis in a mesocosm study using a density gradient (0 to 80 ind. 1(-1)) of calanoid copepods. We expected......The foraging modes of calanoid copepods differ in that stationary suspension-feeding is more easily detected by prey with strong escape responses (ciliates) than is 'cruising' or 'ambushing' feeding. Thus, the ability of a copepod to include heterotrophic prey in its diet may be associated with its...

  6. Mesocosm trials of bioremediation of contaminated soil of a petroleum refinery: comparison of natural attenuation, biostimulation and bioaugmentation.

    Couto, M Nazaré P F S; Monteiro, Emanuela; Vasconcelos, M Teresa S D

    2010-08-01

    Contamination with petroleum hydrocarbons (PHC) is a global problem with environmental implications. Physico-chemical treatments can be used for soil cleanup, but they are expensive, and can have implications for soil structure and environment. Otherwise, biological remediation treatments are cost-effective and restore soil structure. Several remediation experiments have been carried out in the lab and in the field; however, there is the challenge to achieve as good or better results in the field as in the laboratory. In the ambit of a project aiming at investigating suitable biological remediation approaches for recovering a refinery contaminated soil, we present here results obtained in bioremediation trials. The approaches biostimulation and bioaugmentation were tested, in parallel, and compared with natural attenuation. For this purpose, mesocosm experiments were carried out inside the refinery area, which constitutes a real asset of this work. Soil contaminated with crude oil was excavated, re-contaminated with turbine oil, homogenised and used to fill several 0.5 m(3) high-density polyethylene containers. The efficiency of procedures as follows: (1) natural attenuation; (2) manual aeration; (3) biostimulation by adding (3.1) only nutrients; and (3.2) nutrients and a non-ionic surfactant; and (4) bioaugmentation in the presence of added (4.1) nutrients or (4.2) nutrients and a non-ionic surfactant were evaluated after a 9-month period of experiment. For bioaugmentation, a commercial bacterial product was used. In addition to physico-chemical characterization, initial and final soil contents in total petroleum hydrocarbons (TPH) (by Fourier transform infrared spectrophotometry) and the total number of bacteria (by total cell counts) were carried out. For TPH degradation evaluation the soil was divided in four fractions corresponding to different depths: 0-5; 5-10; 10-15; and 15-20 cm. Mean values of percentages of PHC degradation varied between 20 and 50% at

  7. A correlative optical microscopy and scanning electron microscopy approach to locating nanoparticles in brain tumors.

    Kempen, Paul J; Kircher, Moritz F; de la Zerda, Adam; Zavaleta, Cristina L; Jokerst, Jesse V; Mellinghoff, Ingo K; Gambhir, Sanjiv S; Sinclair, Robert

    2015-01-01

    The growing use of nanoparticles in biomedical applications, including cancer diagnosis and treatment, demands the capability to exactly locate them within complex biological systems. In this work a correlative optical and scanning electron microscopy technique was developed to locate and observe multi-modal gold core nanoparticle accumulation in brain tumor models. Entire brain sections from mice containing orthotopic brain tumors injected intravenously with nanoparticles were imaged using both optical microscopy to identify the brain tumor, and scanning electron microscopy to identify the individual nanoparticles. Gold-based nanoparticles were readily identified in the scanning electron microscope using backscattered electron imaging as bright spots against a darker background. This information was then correlated to determine the exact location of the nanoparticles within the brain tissue. The nanoparticles were located only in areas that contained tumor cells, and not in the surrounding healthy brain tissue. This correlative technique provides a powerful method to relate the macro- and micro-scale features visible in light microscopy with the nanoscale features resolvable in scanning electron microscopy. Copyright © 2014 Elsevier Ltd. All rights reserved.

  8. Surface electronic transport measurements: A micro multi-point probe approach

    Barreto, Lucas

    2014-01-01

    This work is mostly focused on the study of electronic transport properties of two-dimensional materials, in particular graphene and topological insulators. To study these, we have improved a unique micro multi-point probe instrument used to perform transport measurements. Not only the experimental...... quantities are extracted, such as conductivity, carrier density and carrier mobility. • A method to insulate electrically epitaxial graphene grown on metals, based on a stepwise intercalation methodology, is developed and transport measurements are performed in order to test the insulation. • We show...... a direct measurement of the surface electronic transport on a bulk topological insulator. The surface state conductivity and mobility are obtained. Apart from transport properties, we also investigate the atomic structure of the Bi2Se3(111) surface via surface x-ray diraction and low-energy electron...

  9. Effects of surface functionalization on the electronic and structural properties of carbon nanotubes: A computational approach

    Ribeiro, M. S.; Pascoini, A. L.; Knupp, W. G.; Camps, I.

    2017-12-01

    Carbon nanotubes (CNTs) have important electronic, mechanical and optical properties. These features may be different when comparing a pristine nanotube with other presenting its surface functionalized. These changes can be explored in areas of research and application, such as construction of nanodevices that act as sensors and filters. Following this idea, in the current work, we present the results from a systematic study of CNT's surface functionalized with hydroxyl and carboxyl groups. Using the entropy as selection criterion, we filtered a library of 10k stochastically generated complexes for each functional concentration (5, 10, 15, 20 and 25%). The structurally related parameters (root-mean-square deviation, entropy, and volume/area) have a monotonic relationship with functionalization concentration. Differently, the electronic parameters (frontier molecular orbital energies, electronic gap, molecular hardness, and electrophilicity index) present and oscillatory behavior. For a set of concentrations, the nanotubes present spin polarized properties that can be used in spintronics.

  10. Forbidden transitions in excitation by electron impact in Co3+: an R-matrix approach

    Stancalie, V

    2011-01-01

    Collision strengths for the electron-impact excitation of forbidden transitions between 136 terms arising from 3d 6 , 3d 5 4s and 3d 5 4p configurations of Co 3+ have been calculated using the R-matrix method. The accuracy of a series of models for the target terms was considered, which form the basis for R-matrix collision calculations. The importance of including configuration interaction wave functions both in the target-state expansion and in the (N+1)-electron quadratically integrable function expansion is discussed. Collision strengths were calculated for incident electron energies up to 6 Ryd. These results are believed to be the first such values for this system and will be important for plasma modelling.

  11. Space-group approach to two-electron states in unconventional superconductors

    Yarzhemsky, V. G.

    2008-01-01

    The direct application of the space-group representation theory, makes possible to obtain limitations for the symmetry of SOP on lines and planes of symmetry in one-electron Brillouin zone. In the case of highly symmetric UPt 3 only theoretical nodal structure of IR E 2u is in agreement with all the experimental results. On the other hand, in the case of high-T c superconductors the two electron description of Cooper pairs in D 2h symmetry is not sufficient to describe experimental nodal structure. It was shown that in this case, the nodal structure is the result of underlying interactions between two-electron states and hidden symmetry D-4 h . (author)

  12. Approaching an organic semimetal: Electron pockets at the Fermi level for a p-benzoquinonemonoimine zwitterion

    Rosa, Luis G.; Velev, Julian [Department of Physics and Electronics, University of Puerto Rico, Humacao (United States); Institute for Functional Nanomaterials, University of Puerto Rico, San Juan (United States); Department of Physics and Astronomy, Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, NE (United States); Zhang, Zhengzheng [Department of Physics, University of Puerto Rico, Rio Piedras, San Juan (United States); Alvira, Jose; Vega, Omar; Diaz, Gerson [Department of Physics and Electronics, University of Puerto Rico, Humacao (United States); Routaboul, Lucie; Braunstein, Pierre [Laboratoire de Chimie de Coordination, Institut de Chimie (UMR 7177 CNRS), Universite de Strasbourg (France); Doudin, Bernard [Institut de Physique, Applique de Physique et Chimie des Materiaux de Strasbourg, Universite Louis Pasteur Strasbourg (France); Losovyj, Yaroslav B. [Institute for Functional Nanomaterials, University of Puerto Rico, San Juan (United States); J. Bennett Johnston Sr. Center for Advanced Microstructures and Devices, Louisiana State Univ., Baton Rouge, LA (United States); Dowben, Peter A. [Institute for Functional Nanomaterials, University of Puerto Rico, San Juan (United States)

    2012-08-15

    There is compelling evidence of electron pockets, at the Fermi level, in the band structure for an organic zwitterion molecule of the p-benzoquinonemonoimine type. The electronic structure of the zwitterion molecular film has a definite, although small, density of states evident at the Fermi level as well as a nonzero inner potential and thus is very different from a true insulator. In spite of a small Brillouin zone, significant band width is observed in the intermolecular band dispersion. The results demonstrate that Bloch's theorem applies to the wave vector dependence of the electronic band structure formed from the molecular orbitals of adjacent molecules in a molecular thin film of a p-benzoquinonemonoimine type zwitterion. (Copyright copyright 2012 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  13. X-ray Microscopy as an Approach to Increasing Accuracy and Efficiency of Serial Block-face Imaging for Correlated Light and Electron Microscopy of Biological Specimens

    Bushong, Eric A.; Johnson, Donald D.; Kim, Keun-Young; Terada, Masako; Hatori, Megumi; Peltier, Steven T.; Panda, Satchidananda; Merkle, Arno; Ellisman, Mark H.

    2014-01-01

    The recently developed three-dimensional electron microscopic (EM) method of serial block-face scanning electron microscopy (SBEM) has rapidly established itself as a powerful imaging approach. Volume EM imaging with this scanning electron microscopy (SEM) method requires intense staining of biological specimens with heavy metals to allow sufficient back-scatter electron signal and also to render specimens sufficiently conductive to control charging artifacts. These more extreme heavy metal s...

  14. New approach for the electronic energies of the hydrogen molecular ion

    Scott, Tony C.; Aubert-Frecon, Monique; Grotendorst, Johannes

    2006-01-01

    Herein, we present analytical solutions for the electronic energy eigenvalues of the hydrogen molecular ion H 2 + , namely the one-electron two-fixed-center problem. These are given for the homonuclear case for the countable infinity of discrete states when the magnetic quantum number m is zero, i.e., for 2 Σ + states. In this case, these solutions are the roots of a set of two coupled three-term recurrence relations. The eigensolutions are obtained from an application of experimental mathematics using Computer Algebra as its principal tool and are vindicated by numerical and algebraic demonstrations. Finally, the mathematical nature of the eigenenergies is identified

  15. Total-dielectric-function approach to electron and phonon response in solids

    Penn, D.R.; Lewis, S.P.; Cohen, M.L.

    1995-01-01

    The interaction between two test charges, the response of a solid to an external field, and the normal modes of the solid can be determined from a total dielectric function that includes both electronic and lattice polarizabilities as well as local-field effects. In this paper we examine the relationship between superconductivity and the stability of a solid and derive sum rules for the electronic part of the dielectric function. It is also shown that there are negative eigenvalues of the total static dielectric function, implying the possibility of an attractive interaction between test charges. An attractive interaction is required for superconductivity

  16. Electron and Nucleon Localization Functions of Oganesson: Approaching the Thomas-Fermi Limit

    Jerabek, Paul; Schuetrumpf, Bastian; Schwerdtfeger, Peter; Nazarewicz, Witold

    2018-02-01

    Fermion localization functions are used to discuss electronic and nucleonic shell structure effects in the superheavy element oganesson, the heaviest element discovered to date. Spin-orbit splitting in the 7 p electronic shell becomes so large (˜10 eV ) that Og is expected to show uniform-gas-like behavior in the valence region with a rather large dipole polarizability compared to the lighter rare gas elements. The nucleon localization in Og is also predicted to undergo a transition to the Thomas-Fermi gas behavior in the valence region. This effect, particularly strong for neutrons, is due to the high density of single-particle orbitals.

  17. Integration of electronic nose technology with spirometry: validation of a new approach for exhaled breath analysis

    de Vries, R.; Brinkman, P.; van der Schee, M. P.; Fens, N.; Dijkers, E.; Bootsma, S. K.; de Jongh, F. H. C.; Sterk, P. J.

    2015-01-01

    New 'omics'-technologies have the potential to better define airway disease in terms of pathophysiological and clinical phenotyping. The integration of electronic nose (eNose) technology with existing diagnostic tests, such as routine spirometry, can bring this technology to 'point-of-care'. We

  18. FELIX: a high-throughput network approach for interfacing to front end electronics for ATLAS upgrades

    Anderson, J.; Borga, A.; Boterenbrood, H.; Chen, H.; Chen, K.; Drake, G.; Francis, D.; Gorini, B.; Lanni, F.; Lehmann Miotto, G.; Levinson, L.; Narevicius, J.; Plessl, C.; Roich, A.; Ryu, S.; Schreuder, F.; Schumacher, J.; Vandelli, W.; Vermeulen, J.; Zhang, J.

    2015-01-01

    The ATLAS experiment at CERN is planning full deployment of a new unified optical link technology for connecting detector front end electronics on the timescale of the LHC Run 4 (2025). It is estimated that roughly 8000 GBT (GigaBit Transceiver) links, with transfer rates up to 10.24 Gbps, will

  19. A new approach to nuclear microscopy: The ion-electron emission microscope

    Doyle, B.L.; Vizkelethy, G.; Walsh, D.S.; Senftinger, B.; Mellon, M.

    1998-01-01

    A new multidimensional high lateral resolution ion beam analysis technique, Ion-Electron Emission Microscopy or IEEM is described. Using MeV energy ions, IEEM is shown to be capable of Ion Beam Induced Charge Collection (IBICC) measurements in semiconductors. IEEM should also be capable of microscopically and multidimensionally mapping the surface and bulk composition of solids. As such, IIEM has nearly identical capabilities as traditional nuclear microprobe analysis, with the advantage that the ion beam does not have to be focused. The technique is based on determining the position where an individual ion enters the surface of the sample by projection secondary electron emission microscopy. The x-y origination point of a secondary electron, and hence the impact coordinates of the corresponding incident ion, is recorded with a position sensitive detector connected to a standard photoemission electron microscope (PEEM). These signals are then used to establish coincidence with IBICC, atomic, or nuclear reaction induced ion beam analysis signals simultaneously caused by the incident ion

  20. Direct Methanol Fuel Cell systems in portable electronics - a metrics-based conceptualization approach

    Flipsen, S.F.J.

    2010-01-01

    It is impossible to imagine life without portable electronics like the laptop computer and cell phone. All these products are powered by a battery, granting them grid independence and all-round protability. Connectivity to the internet and an increase of functionality demands for a better battery.

  1. Single-electron transfer living radical copolymerization of SWCNT-g-PMMA via graft from approach

    Jaisankar, S. N.; Haridharan, N.; Murali, A.; Ponyrko, Sergii; Špírková, Milena; Mandal, A. B.; Matějka, Libor

    2014-01-01

    Roč. 55, č. 13 (2014), s. 2959-2966 ISSN 0032-3861 R&D Projects: GA ČR GAP108/12/1459 Institutional support: RVO:61389013 Keywords : single electron transfer * single-walled carbon nanotubes * controlled radical polymerization Subject RIV: CD - Macromolecular Chemistry Impact factor: 3.562, year: 2014

  2. Developing a Systematic Architecture Approach for Designing an Enhanced Electronic Medical Record (EEMR) System

    Aldukheil, Maher A.

    2013-01-01

    The Healthcare industry is characterized by its complexity in delivering care to the patients. Accordingly, healthcare organizations adopt and implement Information Technology (IT) solutions to manage complexity, improve quality of care, and transform to a fully integrated and digitized environment. Electronic Medical Records (EMR), which is…

  3. Computer Series, 98. Electronics for Scientists: A Computer-Intensive Approach.

    Scheeline, Alexander; Mork, Brian J.

    1988-01-01

    Reports the design for a principles-before-details presentation of electronics for an instrumental analysis class. Uses computers for data collection and simulations. Requires one semester with two 2.5-hour periods and two lectures per week. Includes lab and lecture syllabi. (MVL)

  4. Backscattered electron imaging at low emerging angles: A physical approach to contrast in LVSEM

    Cazaux, J., E-mail: jacques.cazaux@univ-reims.fr [LISM, EA 4695 Faculty of Sciences, BP 1039, 51687 Reims Cedex 2 (France); Kuwano, N. [Malaysia–Japan International Institute of Technology, Universiti Teknologi Malaysia, Jalan Semarak, 54100 Kuala Lumpur (Malaysia); Sato, K. [Steel Research Laboratory, JFE Steel Corporation, 1 Kawasaki-cho, Chuo-ku, Chiba 260-0835 (Japan)

    2013-12-15

    Due to the influence of refraction effects on the escape probability of the Back-Scattered Electrons (BSE), an expression of the fraction of these BSE is given as a function of the beam energy, E°, and emission angle (with respect to the normal) α. It has been shown that these effects are very sensitive to a local change of the work function in particular for low emerging angles. This sensitivity suggests a new type of contrast in Low Voltage Scanning Electron Microscopy (LVSEM for E°<2 keV): the work function contrast. Involving the change of ϕ with crystalline orientation, this possibility is supported by a new interpretation of a few published images. Some other correlated contrasts are also suggested. These are topographical contrasts or contrasts due to subsurface particles and cracks. Practical considerations of the detection system and its optimization are indicated. - Highlights: • Refraction effects experienced by Back-Scattered Electrons at sample/vacuum interfaces are evaluated as a function of energy and angles. • Sensitive to local work function changes with crystalline orientation these effects concern mainly keV-electrons at low emerging angles. • A new type of contrast in SEM is thus deduced and illustrated. • Some other correlated contrasts, topographical contrasts or contrasts due to subsurface particles and cracks are also suggested.

  5. Development of an Electronic Portfolio System Success Model: An Information Systems Approach

    Balaban, Igor; Mu, Enrique; Divjak, Blazenka

    2013-01-01

    This research has two main goals: to develop an instrument for assessing Electronic Portfolio (ePortfolio) success and to build a corresponding ePortfolio success model using DeLone and McLean's information systems success model as the theoretical framework. For this purpose, we developed an ePortfolio success measurement instrument and structural…

  6. FELIX: A high-throughput network approach for interfacing to front end electronics for ATLAS upgrades

    Anderson, John Thomas; The ATLAS collaboration; Boterenbrood, Hendrik; Chen, Hucheng; Chen, Kai; Drake, Gary; Francis, David; Gorini, Benedetto; Lanni, Francesco; Lehmann Miotto, Giovanna; Levinson, Lorne; Narevicius, Julia; Christian Plessl; Roich, Alexander; Schreuder, Frans Philip; Schumacher, Jorn; Vandelli, Wainer; Vermeulen, Jos; Zhang, Jinlong

    2015-01-01

    The ATLAS experiment at CERN is planning full deployment of a new unified link technology for connecting detector front end electronics on the timescale of the LHC Run 4 (2025). It is estimated that roughly 8000 GBT (GigaBit Transceiver) links, with transfer rates probably up to 9.6 Gbps, will replace existing links used for readout, detector control and distribution of timing and trigger information. In particular the links used for readout are often detector-specific. Already in Run 3 this technology will be deployed in conjunction with new muon detectors, additional muon first-level triggering electronics and new on-detector and off-detector liquid argon calorimeter electronics to be used for first level triggering. A total of roughly 2000 GBT links or GBT-like links (for connecting to off-detector trigger electronics) will be needed. A new class of devices will need to be developed to interface many GBT links to the rest of the trigger, data-acquisition and detector control systems. In this paper we prese...

  7. Trials and Tribulations: Student Approaches and Difficulties with Proposing Mechanisms Using the Electron-Pushing Formalism

    Bhattacharyya, Gautam

    2014-01-01

    The skill of proposing mechanisms of reactions using the electron-pushing formalism (EPF) is not only of value to practicing organic chemists but it is also emphasized to students enrolled in organic chemistry courses at all levels. Several research studies in the past decade have documented the difficulties that undergraduate, and even graduate…

  8. On mixed electron-photon radiation therapy optimization using the column generation approach.

    Renaud, Marc-André; Serban, Monica; Seuntjens, Jan

    2017-08-01

    Despite considerable increase in the number of degrees of freedom handled by recent radiotherapy optimisation algorithms, treatments are still typically delivered using a single modality. Column generation is an iterative method for solving large optimisation problems. It is well suited for mixed-modality (e.g., photon-electron) optimisation as the aperture shaping and modality selection problem can be solved rapidly, and the performance of the algorithm scales favourably with increasing degrees of freedom. We demonstrate that the column generation method applied to mixed photon-electron planning can efficiently generate treatment plans and investigate its behaviour under different aperture addition schemes. Column generation was applied to the problem of mixed-modality treatment planning for a chest wall case and a leg sarcoma case. 6 MV beamlets (100 cm SAD) were generated for the photon components along with 5 energies for electron beamlets (6, 9, 12, 16 and 20 MeV), simulated as shortened-SAD (80 cm) beams collimated with a photon MLC. For the chest wall case, IMRT-only, modulated electron radiation therapy (MERT)-only, and mixed electron-photon (MBRT) treatment plans were created using the same planning criteria. For the sarcoma case, MBRT and MERT plans were created to study the behaviour of the algorithm under two different sets of planning criteria designed to favour specific modalities. Finally, the efficiency and plan quality of four different aperture addition schemes was analysed by creating chest wall MBRT treatment plans which incorporate more than a single aperture per iteration of the column generation loop based on a heuristic aperture ranking scheme. MBRT plans produced superior target coverage and homogeneity relative to IMRT and MERT plans created using the same optimisation criteria, all the while preserving the normal tissue-sparing advantages of electron therapy. Adjusting the planning criteria to favour a specific modality in the sarcoma

  9. Single electron ionization and electron capture cross sections for (C{sup 6+}, H{sub 2}O) interaction within the Classical Trajectory Monte Carlo (CTMC) approach

    Tran, H.N., E-mail: tranngochoang@tdt.edu.vn [Division of Nuclear Physics, Ton Duc Thang University, Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam); Faculty of Applied Sciences, Ton Duc Thang University, Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam); Dao, D.D. [Division of Nuclear Physics, Ton Duc Thang University, Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam); Faculty of Applied Sciences, Ton Duc Thang University, Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam); Incerti, S. [Division of Nuclear Physics, Ton Duc Thang University, Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam); Faculty of Applied Sciences, Ton Duc Thang University, Tan Phong Ward, District 7, Ho Chi Minh City (Viet Nam); CNRS, IN2P3, CENBG, UMR 5797, F-33170 Gradignan (France); Université de Bordeaux, CENBG, UMR 5797, F-33170 Gradignan (France); Bernal, M.A. [Instituto de Física Gleb Wataghin, Universidade Estadual de Campinas, SP (Brazil); Karamitros, M. [CNRS, IN2P3, CENBG, UMR 5797, F-33170 Gradignan (France); Université de Bordeaux, CENBG, UMR 5797, F-33170 Gradignan (France); Nhan Hao, T.V. [Center of Research and Development, Duy Tan University, K7/25 Quang Trung, Danang (Viet Nam); Center for Theoretical and Computational Physics, College of Education, Hue University, 34 Le Loi Street, Hue City (Viet Nam); Dang, T.M. [VNUHCM-University of Science (Viet Nam); Francis, Z. [Saint Joseph University, Beyrouth (Lebanon)

    2016-01-01

    In this work, we present a derivation of cross sections for single ionization and electron capture processes within the Classical Trajectory Monte Carlo (CTMC) approach. Specifically, we have used a potential stemming from an ab initio calculation in Green et al.’s framework to describe the dynamics of the water molecule system. Proposing a modified version of the Classical Over-Barrier (COB) potential, we have found that a cut-off of roughly 28 a.u. on the initial distance of the projectile produced a reasonable accuracy. A global agreement has been obtained in our calculations compared to experimental and other theoretical results for C{sup 6+} ion energies ranging from 10 keV/u to 10 MeV/u.

  10. Increase in Nutrients, Mercury, and Methylmercury as a Consequence of Elevated Sulfate Reduction to Sulfide in Experimental Wetland Mesocosms

    Myrbo, A.; Swain, E. B.; Johnson, N. W.; Engstrom, D. R.; Pastor, J.; Dewey, B.; Monson, P.; Brenner, J.; Dykhuizen Shore, M.; Peters, E. B.

    2017-11-01

    Microbial sulfate reduction (MSR) in both freshwater and marine ecosystems is a pathway for the decomposition of sedimentary organic matter (OM) after oxygen has been consumed. In experimental freshwater wetland mesocosms, sulfate additions allowed MSR to mineralize OM that would not otherwise have been decomposed. The mineralization of OM by MSR increased surface water concentrations of ecologically important constituents of OM: dissolved inorganic carbon, dissolved organic carbon, phosphorus, nitrogen, total mercury, and methylmercury. Increases in surface water concentrations, except for methylmercury, were in proportion to cumulative sulfate reduction, which was estimated by sulfate loss from the surface water into the sediments. Stoichiometric analysis shows that the increases were less than would be predicted from ratios with carbon in sediment, indicating that there are processes that limit P, N, and Hg mobilization to, or retention in, surface water. The highest sulfate treatment produced high levels of sulfide that retarded the methylation of mercury but simultaneously mobilized sedimentary inorganic mercury into surface water. As a result, the proportion of mercury in the surface water as methylmercury peaked at intermediate pore water sulfide concentrations. The mesocosms have a relatively high ratio of wall and sediment surfaces to the volume of overlying water, perhaps enhancing the removal of nutrients and mercury to periphyton. The presence of wild rice decreased sediment sulfide concentrations by 30%, which was most likely a result of oxygen release from the wild rice roots. An additional consequence of the enhanced MSR was that sulfate additions produced phytotoxic levels of sulfide in sediment pore water.

  11. Mixture toxicity of three photosystem II inhibitors (atrazine, isoproturon, and diuron) toward photosynthesis of freshwater phytoplankton studied in outdoor mesocosms.

    Knauert, Stefanie; Escher, Beate; Singer, Heinz; Hollender, Juliane; Knauer, Katja

    2008-09-01

    Mixture toxicity of three herbicides with the same mode of action was studied in a long-term outdoor mesocosm study. Photosynthetic activity of phytoplankton as the direct target site of the herbicides was chosen as physiological response parameter. The three photosystem II (PSII) inhibitors atrazine, isoproturon, and diuron were applied as 30% hazardous concentrations (HC30), which we derived from species sensitivity distributions calculated on the basis of EC50 growth inhibition data. The respective herbicide mixture comprised 1/3 of the HC30 of each herbicide. Short-term laboratory experiments revealed that the HC30 values corresponded to EC40 values when regarding photosynthetic activity as the response parameter. In the outdoor mesocosm experiment, effects of atrazine, isoproturon, diuron and their mixture on the photosynthetic activity of phytoplankton were investigated during a five-week period with constant exposure and a subsequent five-month postexposure period when the herbicides dissipated. The results demonstrated that mixture effects determined at the beginning of constant exposure can be described by concentration addition since the mixture elicited a phytotoxic effect comparable to the single herbicides. Declining effects on photosynthetic activity during the experiment might be explained by both a decrease in water herbicide concentrations and by the induction of community tolerance.

  12. Interactive network configuration maintains bacterioplankton community structure under elevated CO2 in a eutrophic coastal mesocosm experiment

    Lin, Xin; Huang, Ruiping; Li, Yan; Li, Futian; Wu, Yaping; Hutchins, David A.; Dai, Minhan; Gao, Kunshan

    2018-01-01

    There is increasing concern about the effects of ocean acidification on marine biogeochemical and ecological processes and the organisms that drive them, including marine bacteria. Here, we examine the effects of elevated CO2 on the bacterioplankton community during a mesocosm experiment using an artificial phytoplankton community in subtropical, eutrophic coastal waters of Xiamen, southern China. Through sequencing the bacterial 16S rRNA gene V3-V4 region, we found that the bacterioplankton community in this high-nutrient coastal environment was relatively resilient to changes in seawater carbonate chemistry. Based on comparative ecological network analysis, we found that elevated CO2 hardly altered the network structure of high-abundance bacterioplankton taxa but appeared to reassemble the community network of low abundance taxa. This led to relatively high resilience of the whole bacterioplankton community to the elevated CO2 level and associated chemical changes. We also observed that the Flavobacteria group, which plays an important role in the microbial carbon pump, showed higher relative abundance under the elevated CO2 condition during the early stage of the phytoplankton bloom in the mesocosms. Our results provide new insights into how elevated CO2 may influence bacterioplankton community structure.

  13. Rearing larvae of dusky grouper, Epinephelus marginatus (Lowe, 1834, (Pisces: Serranidae in a semi-extensive mesocosm

    Maria Emília Cunha

    2009-10-01

    Full Text Available One of the major obstacles to propagating dusky grouper, Epinephelus marginatus, is the difficulty of rearing the early larvae. We have successfully raised dusky grouper larvae in mesocosms using a mixed diet of endogenous plankton grown in the rearing tank and an exogenous supply of Brachionus plicatilis and Artemia sp. Newly hatched larvae at an initial density of 1.3 ind.l-1 were stocked in partially shaded 3 m3 circular outdoor tanks during the summers of 2007 and 2008. Before introducing newly hatched larvae, the water was left for six days to promote plankton growth. Larval growth occurred at two different rates: i a faster rate from first feeding to the beginning of metamorphosis, and ii a slower rate at transformation. Survival at the beginning of metamorphosis was less than 10% (33 DPH in 2007 and between 25 and 50% (25 DPH in 2008. High mortalities were observed during larval transformation. The estimated minimum food requirement per grouper larvae increased more than 300% from the beginning of the notochord flexion to the beginning of metamorphosis. To meet such a high feeding requirement the number of larger prey organisms/copepods in the mesocosm should be eight times higher during this time period.

  14. Quality assessment of Isfahan Medical Faculty web site electronic services and prioritizing solutions using analytic hierarchy process approach.

    Hajrahimi, Nafiseh; Dehaghani, Sayed Mehdi Hejazi; Hajrahimi, Nargess; Sarmadi, Sima

    2014-01-01

    Implementing information technology in the best possible way can bring many advantages such as applying electronic services and facilitating tasks. Therefore, assessment of service providing systems is a way to improve the quality and elevate these systems including e-commerce, e-government, e-banking, and e-learning. This study was aimed to evaluate the electronic services in the website of Isfahan University of Medical Sciences in order to propose solutions to improve them. Furthermore, we aim to rank the solutions based on the factors that enhance the quality of electronic services by using analytic hierarchy process (AHP) method. Non-parametric test was used to assess the quality of electronic services. The assessment of propositions was based on Aqual model and they were prioritized using AHP approach. The AHP approach was used because it directly applies experts' deductions in the model, and lead to more objective results in the analysis and prioritizing the risks. After evaluating the quality of the electronic services, a multi-criteria decision making frame-work was used to prioritize the proposed solutions. Non-parametric tests and AHP approach using Expert Choice software. The results showed that students were satisfied in most of the indicators. Only a few indicators received low satisfaction from students including, design attractiveness, the amount of explanation and details of information, honesty and responsiveness of authorities, and the role of e-services in the user's relationship with university. After interviewing with Information and Communications Technology (ICT) experts at the university, measurement criteria, and solutions to improve the quality were collected. The best solutions were selected by EC software. According to the results, the solution "controlling and improving the process in handling users complaints" is of the utmost importance and authorities have to have it on the website and place great importance on updating this process

  15. Quality assessment of Isfahan Medical Faculty web site electronic services and prioritizing solutions using analytic hierarchy process approach

    Hajrahimi, Nafiseh; Dehaghani, Sayed Mehdi Hejazi; Hajrahimi, Nargess; Sarmadi, Sima

    2014-01-01

    Context: Implementing information technology in the best possible way can bring many advantages such as applying electronic services and facilitating tasks. Therefore, assessment of service providing systems is a way to improve the quality and elevate these systems including e-commerce, e-government, e-banking, and e-learning. Aims: This study was aimed to evaluate the electronic services in the website of Isfahan University of Medical Sciences in order to propose solutions to improve them. Furthermore, we aim to rank the solutions based on the factors that enhance the quality of electronic services by using analytic hierarchy process (AHP) method. Materials and Methods: Non-parametric test was used to assess the quality of electronic services. The assessment of propositions was based on Aqual model and they were prioritized using AHP approach. The AHP approach was used because it directly applies experts’ deductions in the model, and lead to more objective results in the analysis and prioritizing the risks. After evaluating the quality of the electronic services, a multi-criteria decision making frame-work was used to prioritize the proposed solutions. Statistical Analysis Used: Non-parametric tests and AHP approach using Expert Choice software. Results: The results showed that students were satisfied in most of the indicators. Only a few indicators received low satisfaction from students including, design attractiveness, the amount of explanation and details of information, honesty and responsiveness of authorities, and the role of e-services in the user's relationship with university. After interviewing with Information and Communications Technology (ICT) experts at the university, measurement criteria, and solutions to improve the quality were collected. The best solutions were selected by EC software. According to the results, the solution “controlling and improving the process in handling users complaints” is of the utmost importance and authorities

  16. A practical approach to temperature effects in dissociative electron attachment cross sections using local complex potential theory

    Sugioka, Yuji; Takayanagi, Toshiyuki

    2012-01-01

    Highlights: ► Dissociative electron attachment cross sections for polyatomic molecules are calculated by a simple theoretical approach. ► Temperature effects can be reasonably reproduced with the present model. ► All the degrees-of-freedom are taken into account in the present dynamics approach. -- Abstract: We propose a practical computational scheme to obtain temperature dependence of dissociative electron attachment cross sections to polyatomic molecules within a local complex potential theory formalism. First we perform quantum path-integral molecular dynamics simulations on the potential energy surface for the neutral molecule in order to sample initial nuclear configurations as well as momenta. Classical trajectories are subsequently integrated on the potential energy surface for the anionic state and survival probabilities are simultaneously calculated along the obtained trajectories. We have applied this simple scheme to dissociative electron attachment processes to H 2 O and CF 3 Cl, for which several previous studies are available from both the experimental and theoretical sides.

  17. A practical approach to temperature effects in dissociative electron attachment cross sections using local complex potential theory

    Sugioka, Yuji [Department of Chemistry, Saitama University, 255 Shimo-Okubo, Sakura-ku, Saitama City, Saitama 338-8570 (Japan); Takayanagi, Toshiyuki, E-mail: tako@mail.saitama-u.ac.jp [Department of Chemistry, Saitama University, 255 Shimo-Okubo, Sakura-ku, Saitama City, Saitama 338-8570 (Japan)

    2012-09-11

    Highlights: Black-Right-Pointing-Pointer Dissociative electron attachment cross sections for polyatomic molecules are calculated by a simple theoretical approach. Black-Right-Pointing-Pointer Temperature effects can be reasonably reproduced with the present model. Black-Right-Pointing-Pointer All the degrees-of-freedom are taken into account in the present dynamics approach. -- Abstract: We propose a practical computational scheme to obtain temperature dependence of dissociative electron attachment cross sections to polyatomic molecules within a local complex potential theory formalism. First we perform quantum path-integral molecular dynamics simulations on the potential energy surface for the neutral molecule in order to sample initial nuclear configurations as well as momenta. Classical trajectories are subsequently integrated on the potential energy surface for the anionic state and survival probabilities are simultaneously calculated along the obtained trajectories. We have applied this simple scheme to dissociative electron attachment processes to H{sub 2}O and CF{sub 3}Cl, for which several previous studies are available from both the experimental and theoretical sides.

  18. A statistical approach to inelastic electron tunneling spectroscopy on fullerene-terminated molecules

    Fock, Jeppe; Sørensen, Jakob Kryger; Lörtscher, Emanuel

    2011-01-01

    We report on the vibrational fingerprint of single C(60) terminated molecules in a mechanically controlled break junction (MCBJ) setup using a novel statistical approach manipulating the junction mechanically to address different molecular configurations and to monitor the corresponding vibration...

  19. Electron probe micro-analysis of gas bubbles in solids: a novel approach

    Verwerft, M.; Vos, B.

    1999-01-01

    The local analysis of retained noble gas in nuclear fuel is inherently difficult since the physical form under which it is stored varies from atomically dispersed to bubbles with a diameter of several hundreds of nanometers. One of the techniques that has been applied since pore than twenty years is EPMA. Although many important results have been obtained with this technique, its application to the analysis of highly inhomogeneous materials is limited. The EPMA technique is indeed difficult to apply to samples that are not homogeneous on the scale of the electron-solid interaction volume. The paper discusses the development of a method to analyse a system of as bubbles distributed in a solid matrix. This method has been based on a multiple voltage EPMA measurement combined with a scanning Electron Microscopic analysis of the bubble size distribution

  20. Gradient ascent pulse engineering approach to CNOT gates in donor electron spin quantum computing

    Tsai, D.-B.; Goan, H.-S.

    2008-01-01

    In this paper, we demonstrate how gradient ascent pulse engineering (GRAPE) optimal control methods can be implemented on donor electron spin qubits in semiconductors with an architecture complementary to the original Kane's proposal. We focus on the high fidelity controlled-NOT (CNOT) gate and we explicitly find the digitized control sequences for a controlled-NOT gate by optimizing its fidelity using the effective, reduced donor electron spin Hamiltonian with external controls over the hyperfine A and exchange J interactions. We then simulate the CNOT-gate sequence with the full spin Hamiltonian and find that it has an error of 10 -6 that is below the error threshold of 10 -4 required for fault-tolerant quantum computation. Also the CNOT gate operation time of 100 ns is 3 times faster than 297 ns of the proposed global control scheme.

  1. Liquidity dynamics in an electronic open limit order book: An event study approach

    Gomber, Peter; Schweickert, Uwe; Theissen, Erik

    2011-01-01

    We analyze the dynamics of liquidity in Xetra, an electronic open limit order book. We use the Exchange Liquidity Measure (XLM), a measure of the cost of a roundtrip trade of given size V. This measure captures the price and the quantity dimension of liquidity. We present descriptive statistics, analyze the cross-sectional determinants of the XLM measure and document its intraday pattern. Our main contribution is an analysis of the dynamics of the XLM measure around liquidity shocks. We use i...

  2. A Qualitative Approach to Understanding Real-World Electronic Cigarette Use: Implications for Measurement and Regulation

    Maria Cooper, PhD; Melissa B. Harrell, PhD; Cheryl L. Perry, PhD

    2016-01-01

    Introduction An understanding of the real-world use of electronic cigarettes (e-cigarettes) is needed to inform surveillance efforts and future state and federal regulation. This study investigates the behavioral aspects of e-cigarette use. Methods We used qualitative methods to examine salient characteristics of e-cigarette use. The lead investigator (M.C.) conducted in-depth, semistructured individual interviews to explore patterns and behaviors associated with e-cigarette use a...

  3. An intramolecular inverse electron demand Diels–Alder approach to annulated α-carbolines

    Zhiyuan Ma

    2012-06-01

    Full Text Available Intramolecular inverse electron demand cycloadditions of isatin-derived 1,2,4-triazines with acetylenic dienophiles tethered by amidations or transesterifications proceed in excellent yields to produce lactam- or lactone-fused α-carbolines. Beginning with various isatins and alkynyl dienophiles, a pilot-scale library of eighty-eight α-carbolines was prepared by using this robust methodology for biological evaluation.

  4. An improved approach to identify irradiated spices using electronic nose, FTIR, and EPR spectroscopy.

    Sanyal, Bhaskar; Ahn, Jae-Jun; Maeng, Jeong-Hwan; Kyung, Hyun-Kyu; Lim, Ha-Kyeong; Sharma, Arun; Kwon, Joong-Ho

    2014-09-01

    Changes in cumin and chili powder from India resulting from electron-beam irradiation were investigated using 3 analytical methods: electronic nose (E-nose), Fourier transform infrared (FTIR) spectroscopy, and electron paramagnetic resonance (EPR) spectroscopy. The spices had been exposed to 6 to 14 kGy doses recommended for microbial decontamination. E-nose measured a clear difference in flavor patterns of the irradiated spices in comparison with the nonirradiated samples. Principal component analysis further showed a dose-dependent variation. FTIR spectra of the samples showed strong absorption bands at 3425, 3007 to 2854, and 1746 cm(-1). However, both nonirradiated and irradiated spice samples had comparable patterns without any noteworthy changes in functional groups. EPR spectroscopy of the irradiated samples showed a radiation-specific triplet signal at g = 2.006 with a hyper-fine coupling constant of 3 mT confirming the results obtained with the E-nose technique. Thus, E-nose was found to be a potential tool to identify irradiated spices. © 2014 Institute of Food Technologists®

  5. Low-energy-electron interactions with DNA: approaching cellular conditions with atmospheric experiments

    Alizadeh, E.; Sanche, L.

    2014-01-01

    A novel technique has been developed to investigate low energy electron (LEE)-DNA interactions in the presence of small biomolecules (e.g., N 2 , O 2 , H 2 O) found near DNA in the cell nucleus, in order to simulate cellular conditions. In this technique, LEEs are emitted from a metallic surface exposed by soft X-rays and interact with DNA thin films at standard ambient temperature and pressure (SATP). Whereas atmospheric N 2 had little effect on the yields of LEE-induced single and double strand breaks, both O 2 and H 2 O considerably modified and increased such damage. The highest yields were obtained when DNA is embedded in a combined O 2 and H 2 O atmosphere. In this case, the amount of additional double strand breaks was supper-additive. The effect of modifying the chemical and physical stability of DNA by platinum-based chemotherapeutic agents (Pt-drugs) including cisplatin, carboplatin and oxaliplatin was also investigated with this technique. The results obtained provide information on the role played by subexcitation-energy electrons and dissociative electron attachment in the radiosensitization of DNA by Pt-drugs, which is an important step to unravel the mechanisms of radiosensitization of these agents in chemo-radiation cancer therapy. (authors)

  6. Path integral approach for electron transport in disturbed magnetic field lines

    Kanno, Ryutaro; Nakajima, Noriyoshi; Takamaru, Hisanori

    2002-05-01

    A path integral method is developed to investigate statistical property of an electron transport described as a Langevin equation in a statically disturbed magnetic field line structure; especially a transition probability of electrons strongly tied to field lines is considered. The path integral method has advantages that 1) it does not include intrinsically a growing numerical error of an orbit, which is caused by evolution of the Langevin equation under a finite calculation accuracy in a chaotic field line structure, and 2) it gives a method of understanding the qualitative content of the Langevin equation and assists to expect statistical property of the transport. Monte Carlo calculations of the electron distributions under both effects of chaotic field lines and collisions are demonstrated to comprehend above advantages through some examples. The mathematical techniques are useful to study statistical properties of various phenomena described as Langevin equations in general. By using parallel generators of random numbers, the Monte Carlo scheme to calculate a transition probability can be suitable for a parallel computation. (author)

  7. Low-energy-electron interactions with DNA: approaching cellular conditions with atmospheric experiments

    Alizadeh, Elahe; Sanche, Léon

    2014-04-01

    A novel technique has been developed to investigate low energy electron (LEE)-DNA interactions in the presence of small biomolecules (e.g., N2, O2, H2O) found near DNA in the cell nucleus, in order to simulate cellular conditions. In this technique, LEEs are emitted from a metallic surface exposed by soft X-rays and interact with DNA thin films at standard ambient temperature and pressure (SATP). Whereas atmospheric N2 had little effect on the yields of LEE-induced single and double strand breaks, both O2 and H2O considerably modified and increased such damage. The highest yields were obtained when DNA is embedded in a combined O2 and H2O atmosphere. In this case, the amount of additional double strand breaks was supper-additive. The effect of modifying the chemical and physical stability of DNA by platinum-based chemotherapeutic agents (Pt-drugs) including cisplatin, carboplatin and oxaliplatin was also investigated with this technique. The results obtained provide information on the role played by subexcitation-energy electrons and dissociative electron attachment in the radiosensitization of DNA by Pt-drugs, which is an important step to unravel the mechanisms of radiosensitisation of these agents in chemoradiation cancer therapy.

  8. Effect of random vacancies on the electronic properties of graphene and T graphene: a theoretical approach

    Sadhukhan, B.; Nayak, A.; Mookerjee, A.

    2017-12-01

    In this communication we present together four distinct techniques for the study of electronic structure of solids: the tight-binding linear muffin-tin orbitals, the real space and augmented space recursions and the modified exchange-correlation. Using this we investigate the effect of random vacancies on the electronic properties of the carbon hexagonal allotrope, graphene, and the non-hexagonal allotrope, planar T graphene. We have inserted random vacancies at different concentrations, to simulate disorder in pristine graphene and planar T graphene sheets. The resulting disorder, both on-site (diagonal disorder) as well as in the hopping integrals (off-diagonal disorder), introduces sharp peaks in the vicinity of the Dirac point built up from localized states for both hexagonal and non-hexagonal structures. These peaks become resonances with increasing vacancy concentration. We find that in presence of vacancies, graphene-like linear dispersion appears in planar T graphene and the cross points form a loop in the first Brillouin zone similar to buckled T graphene that originates from π and π* bands without regular hexagonal symmetry. We also calculate the single-particle relaxation time, τ (ěc {q}) of ěc {q} labeled quantum electronic states which originates from scattering due to presence of vacancies, causing quantum level broadening.

  9. Learning centred approach for developing the electronic information search processes of students.

    Shanahan, Madeleine

    2009-11-01

    Undergraduate students of the twenty-first century are widely regarded as 'technologically savvy' and have embraced the electronic information world. The literature, however, describes undergraduate students as using a limited range of electronic information sources and not critically evaluating the information they retrieve from internet searches. The aim was to evaluate a purposefully designed intervention that sought to expand the information search and evaluation practices of undergraduate students. The intervention scaffolded an independent learning activity in the form of a group-based project. Survey methodology was used to collect data from student pre- and post-intervention for two cohorts of students who undertook the intervention in 2005 and 2006 involving a total of 71 students. Percentages were used to describe survey findings and chi-square analysis and Fisher's exact test examined differences between groups. Questionnaires were completed by 59 students (response rate 83%) pre-intervention and 49 students (response rate 69%) post-intervention. Post-intervention there were positive and statistically significant differences in database searching behaviour (p = 0.000), use of Google Scholar (p = 0.035) and number of criteria used to evaluate information retrieved from the internet (p = 0.000) by students. By positively reshaping the electronic information search and evaluation practices of students we are helping students to find informed information sources as they engage in independent learning activities at university and as future health professionals.

  10. Strongly correlated electrons at high pressure: an approach by inelastic X-Ray scattering

    Rueff, J.P.

    2007-06-01

    Inelastic X-ray scattering (IXS) and associated methods has turn out to be a powerful alternative for high-pressure physics. It is an all-photon technique fully compatible with high-pressure environments and applicable to a vast range of materials. Standard focalization of X-ray in the range of 100 microns is typical of the sample size in the pressure cell. Our main aim is to provide an overview of experimental results obtained by IXS under high pressure in 2 classes of materials which have been at the origin of the renewal of condensed matter physics: strongly correlated transition metal oxides and rare-earth compounds. Under pressure, d and f-electron materials show behaviors far more complex that what would be expected from a simplistic band picture of electron delocalization. These spectroscopic studies have revealed unusual phenomena in the electronic degrees of freedom, brought up by the increased density, the changes in the charge-carrier concentration, the over-lapping between orbitals, and hybridization under high pressure conditions. Particularly we discuss about pressure induced magnetic collapse and metal-insulator transitions in 3d compounds and valence fluctuations phenomena in 4f and 5f compounds. Thanks to its superior penetration depth, chemical selectivity and resonant enhancement, resonant inelastic X-ray scattering has appeared extremely well suited to high pressure physics in strongly correlated materials. (A.C.)

  11. Heterotrophic bacterial production and metabolic balance during the VAHINE mesocosm experiment in the New Caledonia lagoon

    Van Wambeke, France; Pfreundt, Ulrike; Barani, Aude; Berthelot, Hugo; Moutin, Thierry; Rodier, Martine; Hess, Wolfgang R.; Bonnet, Sophie

    2016-06-01

    Studies investigating the fate of diazotrophs through the microbial food web are lacking, although N2 fixation can fuel up to 50 % of new production in some oligotrophic oceans. In particular, the role played by heterotrophic prokaryotes in this transfer is largely unknown. In the frame of the VAHINE (VAriability of vertical and tropHIc transfer of diazotroph derived N in the south wEst Pacific) experiment, three replicate large-volume (˜ 50 m3) mesocosms were deployed for 23 days in the new Caledonia lagoon and were intentionally fertilized on day 4 with dissolved inorganic phosphorus (DIP) to stimulate N2 fixation. We specifically examined relationships between heterotrophic bacterial production (BP) and N2 fixation or primary production, determined bacterial growth efficiency and established carbon budgets. BP was statistically higher during the second phase of the experiment (P2: days 15-23), when chlorophyll biomass started to increase compared to the first phase (P1: days 5-14). Phosphatase alkaline activity increased drastically during the second phase of the experiment, showing adaptations of microbial populations after utilization of the added DIP. Notably, among autotrophs, Synechococcus abundances increased during P2, possibly related to its capacity to assimilate leucine and to produce alkaline phosphatase. Bacterial growth efficiency based on the carbon budget (27-43 %), was notably higher than generally cited for oligotrophic environments and discussed in links with the presence of abundant species of bacteria expressing proteorhodopsin. The main fates of gross primary production (particulate + dissolved) were respiration (67 %) and export through sedimentation (17 %). BP was highly correlated with particulate primary production and chlorophyll biomass during both phases of the experiment but was slightly correlated, and only during P2 phase, with N2 fixation rates. Heterotrophic bacterial production was strongly stimulated after mineral N enrichment

  12. Electron acceleration by an obliquely propagating electromagnetic wave in the regime of validity of the Fokker-Planck-Kolmogorov approach

    Hizanidis, Kyriakos; Vlahos, L.; Polymilis, C.

    1989-01-01

    The relativistic motion of an ensemble of electrons in an intense monochromatic electromagnetic wave propagating obliquely in a uniform external magnetic field is studied. The problem is formulated from the viewpoint of Hamiltonian theory and the Fokker-Planck-Kolmogorov approach analyzed by Hizanidis (1989), leading to a one-dimensional diffusive acceleration along paths of constant zeroth-order generalized Hamiltonian. For values of the wave amplitude and the propagating angle inside the analytically predicted stochastic region, the numerical results suggest that the diffusion probes proceeds in stages. In the first stage, the electrons are accelerated to relatively high energies by sampling the first few overlapping resonances one by one. During that stage, the ensemble-average square deviation of the variable involved scales quadratically with time. During the second stage, they scale linearly with time. For much longer times, deviation from linear scaling slowly sets in.

  13. Electronic Excitations in Solution: The Interplay between State Specific Approaches and a Time-Dependent Density Functional Theory Description.

    Guido, Ciro A; Jacquemin, Denis; Adamo, Carlo; Mennucci, Benedetta

    2015-12-08

    We critically analyze the performances of continuum solvation models when coupled to time-dependent density functional theory (TD-DFT) to predict solvent effects on both absorption and emission energies of chromophores in solution. Different polarization schemes of the polarizable continuum model (PCM), such as linear response (LR) and three different state specific (SS) approaches, are considered and compared. We show the necessity of introducing a SS model in cases where large electron density rearrangements are involved in the excitations, such as charge-transfer transitions in both twisted and quadrupolar compounds, and underline the very delicate interplay between the selected polarization method and the chosen exchange-correlation functional. This interplay originates in the different descriptions of the transition and ground/excited state multipolar moments by the different functionals. As a result, the choice of both the DFT functional and the solvent polarization scheme has to be consistent with the nature of the studied electronic excitation.

  14. Strain mapping of LED devices by dark-field inline electron holography: Comparison between deterministic and iterative phase retrieval approaches

    Song, Kyung; Shin, Ga-Young; Kim, Jong Kyu [Department of Materials Science and Engineering, Pohang University of Science and Technology (POSTECH), San 31 Hyoja-dong, Nam-gu, Pohang 790-784 (Korea, Republic of); Oh, Sang Ho, E-mail: shoh@postech.ac.kr [Department of Materials Science and Engineering, Pohang University of Science and Technology (POSTECH), San 31 Hyoja-dong, Nam-gu, Pohang 790-784 (Korea, Republic of); Koch, Christoph T. [Institute for Experimental Physics, Ulm University, Albert-Einstein-Allee 11, 89081 Ulm (Germany)

    2013-04-15

    Dark-field inline electron holography has recently been established as a convenient method to map strain in semiconductor devices, combining high precision, low noise, sub-nm spatial resolution and fields-of-view larger than 1 μm. Here we compare two approaches to reconstruct the geometric phase from a transmission electron microscopy dark-field focal series and their effects on the strain measurement: the transport-of-intensity-equation (TIE) and a flux-preserving iterative approach. For this task, we used a GaN-based light emitting diode with a highly complex heterostructure as a model system. While the TIE relies on 3 images only but requires the optimization of two free parameters (defocus step and low-limit cut-off frequency), the iterative reconstruction algorithm involves no adjustable parameters and uses images recorded at 9 different planes of focus with quadratically increasing defocus values. Optimum parameters for the TIE-reconstruction could be identified. However, the iterative phase retrieval approach yields the strain values that agree best with the expected strain levels and provides also higher spatial resolution.

  15. SOIL RESPIRED D13C SIGNATURES REFLECT ROOT EXUDATE OR ROOT TURNOVER SIGNATURES IN AN ELEVATED CO2 AND OZONE MESOCOSM EXPERIMENT

    Bulk tissue and root and soil respired d13C signatures were measured throughout the soil profile in a Ponderosa Pine mesocosm experiment exposed to ambient and elevated CO2 concentrations. For the ambient treatment, root (0-1mm, 1-2mm, and >2mm) and soil d13C signatures were ?24...

  16. Hyperspherical approach to double-electron excitation of He by fast-ion impact

    Moribayashi, K.; Hino, K.; Matsuzawa, M.; Kimura, M.

    1991-01-01

    Double-electron-excitation processes of He atoms by proton, antiproton, and C 6+ -ion impact have been theoretically investigated using the second-order Born approximation and the close-coupling method in the energy regime of MeV/u. The semiclassical impact-parameter method with a straight-line-trajectory approximation is employed to describe the collision processes. Hyperspherical wave functions are adopted to take full account of the strongly correlated motion of two atomic electrons in He. For proton and antiproton impact, it is found that the first-order mechanism dominates for excitation to the (2s2p) 1 Po excited state, while the second-order processes play a significant role in excitation to the (2s2s) 1 Se, (2p2p) 1 Se, and (2p2p) 1 De excited states at a few MeV/u. It should be noted that the doubly excited (2s2p) 1 Po state plays an important role as an intermediate state in these second-order processes in addition to the singly excited 1s2p 1 Po state. It is also found that the difference for the double-electron-excitation processes by proton impact and by antiproton impact is much smaller than that for the double-ionization processes in this energy range. For the C 6+ -ion impact, higher-order mechanisms play more important roles at a few MeV/u. The excitation mechanism is also discussed based on the classification scheme of the correlation quantum numbers, which enables us to obtain a more direct physical insight into the collision mechanism

  17. The role of electrostatics in TrxR electron transfer mechanism: A computational approach.

    Teixeira, Vitor H; Capacho, Ana Sofia C; Machuqueiro, Miguel

    2016-12-01

    Thioredoxin reductase (TrxR) is an important enzyme in the control of the intracellular reduced redox environment. It transfers electrons from NADPH to several molecules, including its natural partner, thioredoxin. Although there is a generally accepted model describing how the electrons are transferred along TrxR, which involves a flexible arm working as a "shuttle," the molecular details of such mechanism are not completely understood. In this work, we use molecular dynamics simulations with Poisson-Boltzmann/Monte Carlo pKa calculations to investigate the role of electrostatics in the electron transfer mechanism. We observed that the combination of redox/protonation states of the N-terminal (FAD and Cys59/64) and C-terminal (Cys497/Selenocysteine498) redox centers defines the preferred relative positions and allows for the flexible arm to work as the desired "shuttle." Changing the redox/ionization states of those key players, leads to electrostatic triggers pushing the arm into the pocket when oxidized, and pulling it out, once it has been reduced. The calculated pKa values for Cys497 and Selenocysteine498 are 9.7 and 5.8, respectively, confirming that the selenocysteine is indeed deprotonated at physiological pH. This can be an important advantage in terms of reactivity (thiolate/selenolate are more nucleophilic than thiol/selenol) and ability to work as an electrostatic trigger (the "shuttle" mechanism) and may be the reason why TrxR uses selenium instead of sulfur. Proteins 2016; 84:1836-1843. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

  18. The free electron gas primary thermometer using an ordinary bipolar junction transistor approaches ppm accuracy

    Mimila-Arroyo, J.

    2017-06-01

    In this paper, it is demonstrated that the free electron gas primary thermometer based on a bipolar junction transistor is able to provide the temperature with an accuracy of a few parts per million. Its simple functioning principle exploits the behavior of the collector current when properly biased to extract the temperature. Using general purpose silicon transistors at the water triple point (273.16 K) and gallium melting point (302.9146), an accuracy of a few parts per million has been reached, constituting the simplest and the easiest to operate primary thermometer, that might be considered even for the redefinition of Kelvin.

  19. Hot-electron-assisted femtochemistry at surfaces: A time-dependent density functional theory approach

    Gavnholt, Jeppe; Rubio, Angel; Olsen, Thomas

    2009-01-01

    Using time-evolution time-dependent density functional theory (TDDFT) within the adiabatic local-density approximation, we study the interactions between single electrons and molecular resonances at surfaces. Our system is a nitrogen molecule adsorbed on a ruthenium surface. The surface is modele...... resonance and the lowering of the resonance energy due to an image charge effect. Finally we apply the TDDFT procedure to only consider the decay of molecular excitations and find that it agrees quite well with the width of the projected density of Kohn-Sham states....

  20. Measurement of the fast electron distribution in laser-plasma experiments in the context of the 'fast ignition' approach to inertial confinement fusion

    Batani, Dimitri; Morace, Alessio

    2010-01-01

    The recent 'fast ignition approach' to ICF relies on the presence of fast electrons to provide the 'external' ignition spark triggering the nuclear fusion reaction in the compressed core of a thermonuclear target. Such fast electron beam is produced by the interaction of a short-pulse high-intensity laser with the target itself. In this context, it becomes essential to characterize the density of fast electrons and their average energy (i.e. the 'laser to fast electron' energy conversion efficiency) but also the finer details of the velocity and angular distribution. In this work we will discuss several techniques used to determine the fast electron distribution function.

  1. Soft x-ray continuum radiation transmitted through metallic filters: An analytical approach to fast electron temperature measurements

    Delgado-Aparicio, L.; Hill, K.; Bitter, M.; Tritz, K.; Kramer, T.; Stutman, D.; Finkenthal, M.

    2010-01-01

    A new set of analytic formulas describes the transmission of soft x-ray continuum radiation through a metallic foil for its application to fast electron temperature measurements in fusion plasmas. This novel approach shows good agreement with numerical calculations over a wide range of plasma temperatures in contrast with the solutions obtained when using a transmission approximated by a single-Heaviside function [S. von Goeler et al., Rev. Sci. Instrum. 70, 599 (1999)]. The new analytic formulas can improve the interpretation of the experimental results and thus contribute in obtaining fast temperature measurements in between intermittent Thomson scattering data.

  2. SMARTE: SUSTAINABLE MANAGEMENT APPROACHES AND REVITALIZATION TOOLS-ELECTRONIC (BELFAST, IRELAND)

    The U.S.-German Bilateral Working Group is developing Site-specific Management Approaches and Redevelopment Tools (SMART). In the U.S., the SMART compilation is housed in a web-based, decision support tool called SMARTe. All tools within SMARTe that are developed specifically for...

  3. Structural predictions for Correlated Electron Materials Using the Functional Dynamical Mean Field Theory Approach

    Haule, Kristjan

    2018-04-01

    The Dynamical Mean Field Theory (DMFT) in combination with the band structure methods has been able to address reach physics of correlated materials, such as the fluctuating local moments, spin and orbital fluctuations, atomic multiplet physics and band formation on equal footing. Recently it is getting increasingly recognized that more predictive ab-initio theory of correlated systems needs to also address the feedback effect of the correlated electronic structure on the ionic positions, as the metal-insulator transition is almost always accompanied with considerable structural distortions. We will review recently developed extension of merger between the Density Functional Theory (DFT) and DMFT method, dubbed DFT+ embedded DMFT (DFT+eDMFT), whichsuccessfully addresses this challenge. It is based on the stationary Luttinger-Ward functional to minimize the numerical error, it subtracts the exact double-counting of DFT and DMFT, and implements self-consistent forces on all atoms in the unit cell. In a few examples, we will also show how the method elucidated the important feedback effect of correlations on crystal structure in rare earth nickelates to explain the mechanism of the metal-insulator transition. The method showed that such feedback effect is also essential to understand the dynamic stability of the high-temperature body-centered cubic phase of elemental iron, and in particular it predicted strong enhancement of the electron-phonon coupling over DFT values in FeSe, which was very recently verified by pioneering time-domain experiment.

  4. Resource conservation approached with an appropriate collection and upgrade-remanufacturing for used electronic products.

    Zlamparet, Gabriel I; Tan, Quanyin; Stevels, A B; Li, Jinhui

    2018-03-01

    This comparative research represents an example for a better conservation of resources by reducing the amount of waste (kg) and providing it more value under the umbrella of remanufacturing. The three discussed cases will expose three issues already addressed separately in the literature. The generation of waste electrical and electronic equipment (WEEE) interacts with the environmental depletion. In this article, we gave the examples of addressed issues under the concept of remanufacturing. Online collection opportunity eliminating classical collection, a business to business (B2B) implementation for remanufactured servers and medical devices. The material reuse (recycling), component sustainability, reuse (part harvesting), product reuse (after repair/remanufacturing) indicates the recovery potential using remanufacturing tool for a better conservation of resources adding more value to the products. Our findings can provide an overview of new system organization for the general collection, market potential and the technological advantages using remanufacturing instead of recycling of WEEE or used electrical and electronic equipment. Copyright © 2017. Published by Elsevier Ltd.

  5. Electronic transport in large systems through a QUAMBO-NEGF approach: Application to atomic carbon chains

    Fang, X.W.; Zhang, G.P.; Yao, Y.X.; Wang, C.Z.; Ding, Z.J.; Ho, K.M.

    2011-01-01

    The conductance of single-atom carbon chain (SACC) between two zigzag graphene nanoribbons (GNR) is studied by an efficient scheme utilizing tight-binding (TB) parameters generated via quasi-atomic minimal basis set orbitals (QUAMBOs) and non-equilibrium Green's function (NEGF). Large systems (SACC contains more than 50 atoms) are investigated and the electronic transport properties are found to correlate with SACC's parity. The SACCs provide a stable off or on state in broad energy region (0.1-1 eV) around Fermi energy. The off state is not sensitive to the length of SACC while the corresponding energy region decreases with the increase of the width of GNR. -- Highlights: → Graphene has many superior electronic properties. → First-principles calculation are accurate but limited to system size. → QUAMBOs construct tight-binding parameters with spatial localization, and then use divide-and-conquer method. → SACC (single carbon atom chain): structure and transport show even-odd parity, and long chains are studied.

  6. Effect of thiram and of a hydrocarbon mixture on freshwater macroinvertebrate communities in outdoor stream and pond mesocosms: I. Study design, chemicals fate and structural responses.

    Bayona, Yannick; Roucaute, Marc; Cailleaud, Kevin; Lagadic, Laurent; Bassères, Anne; Caquet, Thierry

    2015-11-01

    Higher-tier ecological risk assessment (ERA) in mesocosms is commonly performed in lotic or lentic experimental systems. These systems differ in their physico-chemical and hydrological properties, leading to differences in chemical fate, community characteristics and potential recovery. This raises the issue of the relevance and sensitivity of community-level endpoints in different types of mesocosms. In this study, macroinvertebrate abundance and biomass estimates were used to assess the effects of a dithiocarbamate fungicide, thiram (35 and 170 µg l(-1)), and a petroleum middle distillate (PMD; 0.01, 0.4, 2 and 20 mg l(-1)) in outdoor stream and pond mesocosms. Streams were continuously treated during 3 weeks followed by a 2-month long post-treatment period. Ponds were treated weekly for 4 weeks, followed by a 10-month long post-treatment period. Taxonomic structure of macroinvertebrate communities was characterized using the α, β and γ components of taxa richness, Shannon and Gini-Simpson indices. Computations were based either on abundance or biomass data. Results clearly highlighted that the effects of chemicals depended on the exposure regime (for thiram) and type of system (for the PMD). Causes of the differences between streams and ponds in the magnitude and nature of effects include differential sensitivity of taxa dwelling in lentic and lotic systems and the influence of hydrology (e.g., drift from upstream) and mesocosm connectivity on recovery dynamics. This study also showed complementarities in the use of both types of mesocosms to improve the characterization of chemical effects on communities in ERA.

  7. Final-state interactions and superscaling in the semi-relativistic approach to quasielastic electron and neutrino scattering

    Amaro, J. E.; Barbaro, M. B.; Caballero, J. A.; Donnelly, T. W.; Udias, J. M.

    2007-01-01

    The semi-relativistic approach to electron and neutrino quasielastic scattering from nuclei is extended to include final-state interactions. Starting with the usual nonrelativistic continuum shell model, the problem is relativized by using the semi-relativistic expansion of the current in powers of the initial nucleon momentum and relativistic kinematics. Two different approaches are considered for the final-state interactions: the Smith-Wambach 2p-2h damping model and the Dirac-equation-based potential extracted from a relativistic mean-field plus the Darwin factor. Using the latter, the scaling properties of (e,e ' ) and (ν μ ,μ - ) cross sections for intermediate momentum transfers are investigated

  8. Holey carbon micro-arrays for transmission electron microscopy: A microcontact printing approach

    Chester, David W.; Klemic, James F.; Stern, Eric; Sigworth, Fred J.; Klemic, Kathryn G.

    2007-01-01

    We have used a microcontact printing approach to produce high quality and inexpensive holey carbon micro-arrays. Fabrication involves: (1) micromolding a poly(dimethylsiloxane) (PDMS) elastomer stamp from a microfabricated master that contains the desired array pattern; (2) using the PDMS stamp for microcontact printing a thin sacrificial plastic film that contains an array of holes; (3) floating the plastic film onto TEM grids; (4) evaporating carbon onto the plastic film and (5) removing the sacrificial plastic film. The final holey carbon micro-arrays are ready for use as support films in TEM applications with the fidelity of the original microfabricated pattern. This approach is cost effective as both the master and the stamps have long-term reusability. Arbitrary array patterns can be made with microfabricated masters made through a single-step photolithographic process

  9. Variational local moment approach: From Kondo effect to Mott transition in correlated electron systems

    Kauch, Anna; Byczuk, Krzysztof

    2012-01-01

    The variational local moment approach (VLMA) solution of the single impurity Anderson model is presented. It generalizes the local moment approach of Logan et al. by invoking the variational principle to determine the lengths of local moments and orbital occupancies. We show that VLMA is a comprehensive, conserving and thermodynamically consistent approximation and treats both Fermi and non-Fermi liquid regimes as well as local moment phases on equal footing. We tested VLMA on selected problems. We solved the single- and multi-orbital impurity Anderson model in various regions of parameters, where different types of Kondo effects occur. The application of VLMA as an impurity solver of the dynamical mean-field theory, used to solve the multi-orbital Hubbard model, is also addressed.

  10. Copyright on the internet: achieving security through electronic devices an artificial intelligence approach

    Niebla Zatarain, Jesus Manuel

    2018-01-01

    This thesis aims to provide a novel approach to ensure copyright compliance online, appropriate for the Internet of Things and the robotic revolution. To achieve this, three different aims are pursued: - A novel application of “by design” solutions to copyright protection is introduced and its advantages and disadvantages discussed from a jurisprudential and doctrinal perspective. - On the basis of this, a new theoretical framework for legal AI is developed that draws on ...

  11. A floodplain mesocosm study: Distribution, mobility, aging, and functioning of engineered silver nanoparticles at the aquatic-terrestrial interface

    Metreveli, George; Kurtz, Sandra; Philippe, Allan; Tayyebi, Narjes; Seitz, Frank; Rosenfeldt, Ricki R.; Grün, Alexandra; Kumahor, Samuel K.; Baumann, Thomas; Bundschuh, Mirco; Lang, Friederike; Klitzke, Sondra; Manz, Werner; Schulz, Ralf; Vogel, Hans-Jörg; Schaumann, Gabriele E.

    2017-04-01

    With increasing use of engineered nanoparticles (ENPs) in different commercial products the risk for their release into the environment is continuously increased. The aging, distribution, mobility, biological availability, and ecotoxicological impact of ENPs in aquatic and terrestrial compartments will be influenced especially by the natural dynamics of meadow areas, which represent a sensible zone between these two compartments. In this study we present a newly developed floodplain stream mesocosm system linking aquatic and terrestrial aging of ENPs in one system. Using this system we investigated the distribution, mobility, and biological effects of silver nanoparticles (Ag NPs) at the aquatic-terrestrial interface. The mesocosm consists of a main channel, floodplain area, and transport columns simulating an aquatic compartment with river bed, aquatic-terrestrial transition zone, and terrestrial area, respectively. The system contained water sampled from the River Rhine, quartz sand as sediment phase and natural repacked soil from a Rhine floodplain. Every 3 weeks floodplain area was flooded for four days by increasing the water level in the main channel. The dispersions of Ag NPs were injected into the main channel as a pulse function with the pulse duration of 3 weeks and interval of 3 weeks between pulses. The biological effects of Ag NPs on the benthic organism Gammarus fossarum were evaluated in the bioassays during and between the Ag NP pulses. The total duration of the experiment was 33 weeks. The results of mesocosm experiments showed a fluctuating but successively increasing concentrations of total silver in the aqueous phase. At the end of the experiment 0.5% of the silver was still available in the aqueous phase mostly as nanoparticles. Although the major part of silver was immobilized in sediment and soil especially in their top layer, the feeding activity of Gammarus fossarum was not consistently affected. It is most likely due to the low

  12. Quantitative High Resolution Transmission Electron Microscopy (HRTEM): a novel approach towards application oriented basic research

    Kisielowski, Christian; Weber, Eicke R.; Liliental-Weber, Zuzanna

    1996-01-01

    This paper reviews recent developments of microscopic methods that base on a quantitative analysis of electron micrographs to access subsurface systems at the atomic scale. It focuses on non-equilibrium diffusion processes that are observed in nano structured MBE grown materials if a low growth temperature was used and on local deviations from a stoichiometric composition of materials. As examples we investigate Ga As/Al As and Si/Ge Si heterostructures and Ga N single crystals. The purpose of the research is twofold. On the one hand it helps understanding physical processes at the atomic scale. On the other hand we can use the results to link basic physical knowledge with the performance of semiconductor devices made from nano structured materials. (author). 28 refs., 15 figs

  13. A new approach for two-terminal electronic memory devices - Storing information on silicon nanowires

    Saranti, Konstantina; Alotaibi, Sultan; Paul, Shashi

    2016-06-01

    The work described in this paper focuses on the utilisation of silicon nanowires as the information storage element in flash-type memory devices. Silicon nanostructures have attracted attention due to interesting electrical and optical properties, and their potential integration into electronic devices. A detailed investigation of the suitability of silicon nanowires as the charge storage medium in two-terminal non-volatile memory devices are presented in this report. The deposition of the silicon nanostructures was carried out at low temperatures (less than 400 °C) using a previously developed a novel method within our research group. Two-terminal non-volatile (2TNV) memory devices and metal-insulator-semiconductor (MIS) structures containing the silicon nanowires were fabricated and an in-depth study of their characteristics was carried out using current-voltage and capacitance techniques.

  14. A variational approach to nonsmooth dynamics applications in unilateral mechanics and electronics

    Adly, Samir

    2017-01-01

    This brief examines mathematical models in nonsmooth mechanics and nonregular electrical circuits, including evolution variational inequalities, complementarity systems, differential inclusions, second-order dynamics, Lur'e systems and Moreau's sweeping process. The field of nonsmooth dynamics is of great interest to mathematicians, mechanicians, automatic controllers and engineers. The present volume acknowledges this transversality and provides a multidisciplinary view as it outlines fundamental results in nonsmooth dynamics and explains how to use them to study various problems in engineering. In particular, the author explores the question of how to redefine the notion of dynamical systems in light of modern variational and nonsmooth analysis. With the aim of bridging between the communities of applied mathematicians, engineers and researchers in control theory and nonlinear systems, this brief outlines both relevant mathematical proofs and models in unilateral mechanics and electronics.

  15. Method to integrate clinical guidelines into the electronic health record (EHR) by applying the archetypes approach.

    Garcia, Diego; Moro, Claudia Maria Cabral; Cicogna, Paulo Eduardo; Carvalho, Deborah Ribeiro

    2013-01-01

    Clinical guidelines are documents that assist healthcare professionals, facilitating and standardizing diagnosis, management, and treatment in specific areas. Computerized guidelines as decision support systems (DSS) attempt to increase the performance of tasks and facilitate the use of guidelines. Most DSS are not integrated into the electronic health record (EHR), ordering some degree of rework especially related to data collection. This study's objective was to present a method for integrating clinical guidelines into the EHR. The study developed first a way to identify data and rules contained in the guidelines, and then incorporate rules into an archetype-based EHR. The proposed method tested was anemia treatment in the Chronic Kidney Disease Guideline. The phases of the method are: data and rules identification; archetypes elaboration; rules definition and inclusion in inference engine; and DSS-EHR integration and validation. The main feature of the proposed method is that it is generic and can be applied toany type of guideline.

  16. Optimal Integration of Cascade Thermoelectric Cooler into Electronic Housing: Experimental Approach

    Semeniuk, V.; Protsenko, D.

    2018-06-01

    The problem of the optimal integration of thermoelectrically cooled optoelectronic components into an electronic housing is studied with the emphasis on practical implementation. The lines of 2-stage and 3-stage thermoelectric coolers (TECs) compatible with TO8 housing have been developed, and their parameters are measured in a wide range of heat sink temperatures. The TECs are optimized to receive a temperature difference of 100-110 K under a heat load from 70 mW to 100 mW with minimal power consumption. To fit into a standard housing interior, all the TECs have the same overall dimensions, regardless of the number of stages. Details of the TEC configurations and their performance characteristics are presented and discussed.

  17. An approach to first principles electronic structure calculation by symbolic-numeric computation

    Akihito Kikuchi

    2013-04-01

    Full Text Available There is a wide variety of electronic structure calculation cooperating with symbolic computation. The main purpose of the latter is to play an auxiliary role (but not without importance to the former. In the field of quantum physics [1-9], researchers sometimes have to handle complicated mathematical expressions, whose derivation seems almost beyond human power. Thus one resorts to the intensive use of computers, namely, symbolic computation [10-16]. Examples of this can be seen in various topics: atomic energy levels, molecular dynamics, molecular energy and spectra, collision and scattering, lattice spin models and so on [16]. How to obtain molecular integrals analytically or how to manipulate complex formulas in many body interactions, is one such problem. In the former, when one uses special atomic basis for a specific purpose, to express the integrals by the combination of already known analytic functions, may sometimes be very difficult. In the latter, one must rearrange a number of creation and annihilation operators in a suitable order and calculate the analytical expectation value. It is usual that a quantitative and massive computation follows a symbolic one; for the convenience of the numerical computation, it is necessary to reduce a complicated analytic expression into a tractable and computable form. This is the main motive for the introduction of the symbolic computation as a forerunner of the numerical one and their collaboration has won considerable successes. The present work should be classified as one such trial. Meanwhile, the use of symbolic computation in the present work is not limited to indirect and auxiliary part to the numerical computation. The present work can be applicable to a direct and quantitative estimation of the electronic structure, skipping conventional computational methods.

  18. Experimental white piedra: a robust approach to ultrastructural analysis, scanning electron microscopy and etiological discoveries.

    Inácio, Cicero P; Rocha, Ana Paula S; Barbosa, Renan do N; Oliveira, Neiva T; Silva, Josineide C; de Lima-Neto, Reginaldo G; Macêdo, Danielle Patrícia C; Neves, Rejane P

    2016-01-01

    White piedra is a fungal infection characterized by nodules comprised of Trichosporon species and restricted to the extrafollicular portion of the hair shaft. The diagnosis is based on clinical and mycological characteristics, and must be confirmed with a precise identification of the etiological agent. This research aimed to develop an in vitro infection model of white piedra and analyze its morphological and ultra-structural aspects. In the process, hair infection was induced using eight isolates of the genus Trichosporon maintained in the Culture Collection Micoteca URM. The ITS and IGS1 regions were sequenced for taxonomic confirmation. Scanning Electron Microscope (SEM) was performed at the Strategic Center for Northeast Technologies (CETENE). The scanning electron microscope was equipped with an Energy Dispersion Spectrometer (EDS). The Trichosporon isolates were identified as Trichosporon asahii (6) and Trichosporon montevideense (2) by internal transcript spacer (ITS) region and intergenic spacer 1 region (IGS1) sequencing. All eight strains were used to induce the in vitro hair infection, and nodules formed after the incubation period. Temperature variations and high humidity were not observed to be related to the development of this hair disease. The main chemical constituents detected in the nodules were carbon, nitrogen and oxygen, as well as a low level of sulfur. The absence of calcium, combined with the low level of sulfur, might explain the soft nature of the white piedra nodules. This study demonstrated that several Trichosporon species may be responsible for causing white piedra. © 2015 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

  19. Investigation of electron-atom/molecule scattering resonances: Two complex multiconfigurational self-consistent field approaches

    Samanta, Kousik [Department of Chemistry, Rice University, Houston, TX 77005 (United States); Yeager, Danny L. [Department of Chemistry, Texas A and M University, College Station, TX 77843 (United States)

    2015-01-22

    Resonances are temporarily bound states which lie in the continuum part of the Hamiltonian. If the electronic coordinates of the Hamiltonian are scaled (“dilated”) by a complex parameter, η = αe{sup iθ} (α, θ real), then its complex eigenvalues represent the scattering states (resonant and non-resonant) while the eigenvalues corresponding to the bound states and the ionization and the excitation thresholds remain real and unmodified. These make the study of these transient species amenable to the bound state methods. We developed a quadratically convergent multiconfigurational self-consistent field method (MCSCF), a well-established bound-state technique, combined with a dilated Hamiltonian to investigate resonances. This is made possible by the adoption of a second quantization algebra suitable for a set of “complex conjugate biorthonormal” spin orbitals and a modified step-length constraining algorithm to control the walk on the complex energy hypersurface while searching for the stationary point using a multidimensional Newton-Raphson scheme. We present our computational results for the {sup 2}PBe{sup −} shape resonances using two different computationally efficient methods that utilize complex scaled MCSCF (i.e., CMCSCF). These two methods are to straightforwardly use CMCSCF energy differences and to obtain energy differences using an approximation to the complex multiconfigurational electron propagator. It is found that, differing from previous computational studies by others, there are actually two {sup 2}PBe{sup −} shape resonances very close in energy. In addition, N{sub 2} resonances are examined using one of these methods.

  20. Analysis of transformations of the ultrafast electron transfer photoreaction mechanism in liquid solutions by the rate distribution approach.

    Kuzmin, Michael G; Soboleva, Irina V

    2014-05-01

    Representation of the experimental reaction kinetics in the form of rate distribution is shown to be an effective method for the analysis of the mechanisms of these reactions and for comparisons of the kinetics with QC calculations, as well as with the experimental data on the medium mobility. The rate constant distribution function P(k) can be obtained directly from the experimental kinetics N(t) by an inverse Laplace transform. The application of this approach to kinetic data for several excited-state electron transfer reactions reveals the transformations of their rate control factors in the time domain of 1-1000 ps. In neat electron donating solvents two components are observed. The fastest component (k > 1 ps(-1)) was found to be controlled by the fluctuations of the overall electronic coupling matrix element, involving all the reactant molecules, located inside the interior of the solvent shell, rather than for specific pairs of reactant molecules. The slower component (1 > k > 0.1 ps(-1)) is controlled by the medium reorganization (longitudinal relaxation times, τL). A substantial contribution from the non-stationary diffusion controlled reaction is observed in diluted solutions ([Q] transformation of the rate control factors in the course of the reactions.

  1. Electronic Health Record-Enabled Big-Data Approaches to Nephrotoxin-Associated Acute Kidney Injury Risk Prediction.

    Sutherland, Scott M

    2018-06-09

    Nephrotoxin-associated acute kidney injury (NTx-AKI) has become one of the most common causes of AKI among hospitalized adults and children; across acute and intensive care populations, exposure to nephrotoxins accounts for 15-25% of AKI. Although some interventions have shown promise in observational studies, no treatments currently exist for NTx-AKI once it occurs. Thus, nearly all effective strategies are aimed at prevention. The primary obstacle to prevention is risk prediction and the determination of which patients are more likely to develop NTx-AKI when exposed to medications with nephrotoxic potential. Historically, traditional statistical modeling has been applied to previously recognized clinical risk factors to identify predictors of NTx-AKI. However, increased electronic health record adoption and the evolution of "big-data" approaches to predictive analytics may offer a unique opportunity to prevent NTx-AKI events. This article describes prior and current approaches to NTx-AKI prediction and offers three novel use cases for electronic health record-enabled NTx-AKI forecasting and risk profiling. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

  2. Ab initio electronic structure of quasi-two-dimensional materials: A “native” Gaussian–plane wave approach

    Trevisanutto, Paolo E. [Graphene Research Centre and CA2DM, National University of Singapore, Singapore 117542, Singapore and Singapore Synchrotron Light Source, National University of Singapore, Singapore 117603 (Singapore); Vignale, Giovanni, E-mail: vignaleg@missouri.edu [Department of Physics and Astronomy, University of Missouri, Columbia, Missouri 65211 (United States)

    2016-05-28

    Ab initio electronic structure calculations of two-dimensional layered structures are typically performed using codes that were developed for three-dimensional structures, which are periodic in all three directions. The introduction of a periodicity in the third direction (perpendicular to the layer) is completely artificial and may lead in some cases to spurious results and to difficulties in treating the action of external fields. In this paper we develop a new approach, which is “native” to quasi-2D materials, making use of basis function that are periodic in the plane, but atomic-like in the perpendicular direction. We show how some of the basic tools of ab initio electronic structure theory — density functional theory, GW approximation and Bethe-Salpeter equation — are implemented in the new basis. We argue that the new approach will be preferable to the conventional one in treating the peculiarities of layered materials, including the long range of the unscreened Coulomb interaction in insulators, and the effects of strain, corrugations, and external fields.

  3. FELIX: a High-Throughput Network Approach for Interfacing to Front End Electronics for ATLAS Upgrades

    Anderson, J; Drake, G; Ryu, S; Zhang, J; Borga, A; Boterenbrood, H; Schreuder, F; Vermeulen, J; Chen, H; Chen, K; Lanni, F; Francis, D; Gorini, B; Miotto, G Lehmann; Schumacher, J; Vandelli, W; Levinson, L; Narevicius, J; Roich, A; Plessl, C

    2015-01-01

    The ATLAS experiment at CERN is planning full deployment of a new unified optical link technology for connecting detector front end electronics on the timescale of the LHC Run 4 (2025). It is estimated that roughly 8000 GBT (GigaBit Transceiver) links, with transfer rates up to 10.24 Gbps, will replace existing links used for readout, detector control and distribution of timing and trigger information. A new class of devices will be needed to interface many GBT links to the rest of the trigger, data-acquisition and detector control systems. In this paper FELIX (Front End LInk eXchange) is presented, a PC-based device to route data from and to multiple GBT links via a high-performance general purpose network capable of a total throughput up to O(20 Tbps). FELIX implies architectural changes to the ATLAS data acquisition system, such as the use of industry standard COTS components early in the DAQ chain. Additionally the design and implementation of a FELIX demonstration platform is presented and hardware and software aspects will be discussed. (paper)

  4. A new approach to solvent extraction: Electronic pulses shatter water droplets

    Anon.

    1991-01-01

    Researchers in the Chemical Technology Division of Oak Ridge National Laboratory (ORNL) have invented a device that represents a significant improvement in the area of solvent extraction, which is a widely used technique to recover valuable materials from a liquid stream. Known as the Emulsion Phase Contactor (EPC), the technology uses a pulsed electrical field to enhance recovery of chemicals (either valuable products or pollutants) that are dissolved in water. Because of its higher efficiency, the recovery method can be accomplished in much smaller vessels than those used in conventional solvent extractors, which use mechanical processes to recover chemicals. When water droplets carrying the substance to be extracted are introduced into the EPC, they are shattered by electronic pulses that produce water particles in the 1- to 5-micron size range. These water particles are up to 100 times smaller than those created by mechanical agitation. These tiny particles produce a much greater surface area than can be achieved using chemical agitators, enabling the chemical solvent to extract more material from the water base. In addition, the EPC uses much less power than mechanical methods and has no moving parts; therefore, servicing requirements for the extraction apparatus are expected to be significantly reduced. ORNL researchers initially tested the technology at a very small scale, and evaluated its capabilities in extracting high-value substances such as isotopes, pharmaceuticals, and precious metals. Further work has indicated that the EPC can be applied on a much larger scale to handle more common chemical substances

  5. A Deterrence Approach to Regulate Nurses' Compliance with Electronic Medical Records Privacy Policy.

    Kuo, Kuang-Ming; Talley, Paul C; Hung, Ming-Chien; Chen, Yen-Liang

    2017-11-03

    Hospitals have become increasingly aware that electronic medical records (EMR) may bring about tangible/intangible benefits to managing institutions, including reduced medical errors, improved quality-of-care, curtailed costs, and allowed access to patient information by healthcare professionals regardless of limitations. However, increased dependence on EMR has led to a corresponding increase in the influence of EMR breaches. Such incursions, which have been significantly facilitated by the introduction of mobile devices for accessing EMR, may induce tangible/intangible damage to both hospitals and concerned individuals. The purpose of this study was to explore factors which may tend to inhibit nurses' intentions to violate privacy policy concerning EMR based upon the deterrence theory perspective. Utilizing survey methodology, 262 responses were analyzed via structural equation modeling. Results revealed that punishment certainty, detection certainty, and subjective norm would most certainly and significantly reduce nurses' intentions to violate established EMR privacy policy. With these findings, recommendations for health administrators in planning and designing effective strategies which may potentially inhibit nurses from violating EMR privacy policy are discussed.

  6. Patient Electronic Health Records as a Means to Approach Genetic Research in Gastroenterology.

    Ananthakrishnan, Ashwin N; Lieberman, David

    2015-10-01

    Electronic health records (EHRs) are being increasingly utilized and form a unique source of extensive data gathered during routine clinical care. Through use of codified and free text concepts identified using clinical informatics tools, disease labels can be assigned with a high degree of accuracy. Analysis linking such EHR-assigned disease labels to a biospecimen repository has demonstrated that genetic associations identified in prospective cohorts can be replicated with adequate statistical power and novel phenotypic associations identified. In addition, genetic discovery research can be performed utilizing clinical, laboratory, and procedure data obtained during care. Challenges with such research include the need to tackle variability in quality and quantity of EHR data and importance of maintaining patient privacy and data security. With appropriate safeguards, this novel and emerging field of research offers considerable promise and potential to further scientific research in gastroenterology efficiently, cost-effectively, and with engagement of patients and communities. Copyright © 2015 AGA Institute. Published by Elsevier Inc. All rights reserved.

  7. The development of learning material using learning goal orientation approach in digital electronics

    Puspitaningayu, P.; Anifah, L.; Kholis, N.

    2018-01-01

    Mastery of digital electronics principles is essential for future engineers in the digital era. This article describes the use of simulations in an undergraduate electrical engineering course to promote the adoption of a learning-goal orientation. This study used experimental method. This was done by providing students with a simulation environment which students freely use to experiment with various circuit models. Students were then invited to reflect on how the simulation results compare with results from lab experiments. The module got 82% of positive rating from 28 students and all of them passed in the examination with 81.8 as the average score. Those majority students were motivated by the combination of two learning goals written in the module. Moreover, they also gain the ability to design more complex systems because of their combined experience. Additionally, the module also has been validated and got 83% of reliability. The final product of this research hereafter can be recommended to be used as teaching material.

  8. A new approach to beta-gamma coincidence counting. Advance report on the Samar electronic system

    Carlos, J. E. de; Granados, C. E.

    1972-01-01

    In 4π β-γ coincidence measurements, precision on the evaluation of coincidence counting losses is made difficult because of complex overlapping effects between theβ--and γ-side dead times due to pre cursive counted events. In this context the SAMAR electronic system is aimed to give a precise way of automatic counting and reduce the need for calculated corrections. This report describes its configuration and basic features. The SAMAR has been conceived in such a manner that both beta and gamma chains are sharing a common and non extending dead-time which is simultaneously applied to both channels. The shared dead time is made to be the only one inserted throughout the chains. Overlapping effects vanish and the three counting channels have identical transmission ratios. A new dead-time circuit based on fast linear gates as blocking elements has been developed. Application of the two-oscillator Muller's method evidences a fully non-extending character. Automatism is implemented by using a live timer corrective channel controlling the counting scalers. (Author) 21 refs

  9. Optical potential approach to the electron-atom impact ionization threshold problem

    Temkin, A.; Hahn, Y.

    1973-01-01

    The problem of the threshold law for electron-atom impact ionization is reconsidered as an extrapolation of inelastic cross sections through the ionization threshold. The cross sections are evaluated from a distorted wave matrix element, the final state of which describes the scattering from the Nth excited state of the target atom. The actual calculation is carried for the e-H system, and a model is introduced which is shown to preserve the essential properties of the problem while at the same time reducing the dimensionability of the Schrodinger equation. Nevertheless, the scattering equation is still very complex. It is dominated by the optical potential which is expanded in terms of eigen-spectrum of QHQ. It is shown by actual calculation that the lower eigenvalues of this spectrum descend below the relevant inelastic thresholds; it follows rigorously that the optical potential contains repulsive terms. Analytical solutions of the final state wave function are obtained with several approximations of the optical potential.

  10. Alternative approaches to electronic damage by ion-beam irradiation: Exciton models

    Agullo-Lopez, F.; Munoz-Martin, A.; Zucchiatti, A. [Centro de Micro-Analisis de Materiales, Universidad Autonoma de Madrid, 28049, Madrid (Spain); Climent-Font, A. [Centro de Micro-Analisis de Materiales, Universidad Autonoma de Madrid, 28049, Madrid (Spain); Departamento de Fisica Aplicada, Universidad Autonoma de Madrid, 28049, Madrid (Spain)

    2016-11-15

    The paper briefly describes the main features of the damage produced by swift heavy ion (SHI) irradiation. After a short revision of the widely used thermal spike concept, it focuses on cumulative mechanisms of track formation which are alternative to those based on lattice melting (thermal spike models). These cumulative mechanisms rely on the production of point defects around the ion trajectory, and their accumulation up to a final lattice collapse or amorphization. As to the formation of point defects, the paper considers those mechanisms relying on direct local conversion of the excitation energy into atomic displacements (exciton models). A particular attention is given to processes based on the non-radiative recombination of excitons that have become self-trapped as a consequence of a strong electron-phonon interaction (STEs). These mechanisms, although operative under purely ionizing radiation in some dielectric materials, have been rarely invoked, so far, to discuss SHI damage. They are discussed in this paper together with relevant examples to materials such as Cu{sub 3}N, alkali halides, SiO{sub 2}, and LiNbO{sub 3}. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

  11. Electronic, elastic, acoustic and optical properties of cubic TiO2: A DFT approach

    Mahmood, Tariq; Cao, Chuanbao; Tahir, Muhammad; Idrees, Faryal; Ahmed, Maqsood; Tanveer, M.; Aslam, Imran; Usman, Zahid; Ali, Zulfiqar; Hussain, Sajad

    2013-01-01

    The electronic, elastic, acoustic and optical properties of cubic phases TiO 2 fluorite and pyrite are investigated using the first principles calculations. We have employed five different exchange–correlation functions within the local density and generalized gradient approximations using the ultrasoft plane wave pseudopotential method. The calculated band structures of cubic-TiO 2 elucidate that the TiO 2 fluorite and pyrite are direct and indirect semiconductors in contrast to the previous findings. From our studied properties such as bulk and shear moduli, elastic constants C 44 and Debye temperature for TiO 2 fluorite and pyrite, we infer that both the cubic phases are not superhard materials and the pyrite phase is harder than fluorite. The longitudinal and transversal acoustic wave speeds for both phases in the directions [100], [110] and [111] are determined using the pre-calculated elastic constants. In addition, we also calculate the optical properties such as dielectric function, absorption spectrum, refractive index and energy loss function using the pre-optimized structure. On the observation of optical properties TiO 2 fluorite phase turn out to be more photocatalytic than pyrite

  12. Electronic properties of Fe charge transfer complexes – A combined experimental and theoretical approach

    Ferreira, Hendrik; Eschwege, Karel G. von; Conradie, Jeanet

    2016-01-01

    Highlights: • Experimental and computational study of Fe II -phen, -bpy & -tpy compleesx. • Close correlations between experimental redox and spectral, and computational data. • Computational methods fast-track DSSC research. - Abstract: Dye-sensitized solar cell technology holds huge potential in renewable electricity generation of the future. Due to demand urgency, ways need to be explored to reduce research time and cost. Against this background, quantum computational chemistry is illustrated to be a reliable tool at the onset of studies in this field, simulating charge transfer, spectral (solar energy absorbed) and electrochemical (ease by which electrons may be liberated) tuning of related photo-responsive dyes. Comparative experimental and theoretical DFT studies were done under similar conditions, involving an extended series of electrochemically altered phenanthrolines, bipyridyl and terpyridyl complexes of Fe II . Fe II/III oxidation waves vary from 0.363 V for tris(3,6-dimethoxybipyridyl)Fe II to 0.894 V (versus Fc/Fc + ) for the 5-nitrophenanthroline complex. Theoretical DFT computed ionization potentials in the bipyridyl sub-series achieved an almost 100% linear correlation with experimental electrochemical oxidation potentials, while the phenanthroline sub-series gave R 2 = 0.95. Apart from the terpyridyl complex which accorded an almost perfect match, in general, TDDFT oscillators were computed at slightly lower energies than what was observed experimentally, while molecular HOMO and LUMO renderings reveal desired complexes with directional charge transfer propensities.

  13. Nitrogen Release in Pristine and Drained Peat Profiles in Response to Water Table Fluctuations: A Mesocosm Experiment

    Merjo P. P. Laine

    2013-01-01

    Full Text Available In the northern hemisphere, variability in hydrological conditions was suggested to increase as a consequence of climate warming, which may result in longer droughts than the area has experienced before. Due to their predominately anoxic conditions, peatlands are expected to respond to changes in hydrological conditions, such as successive drying and rewetting periods. As peatlands are rich in organic matter, any major changes in water table may influence the decomposition of it. The hydrological conditions may also influence release of nutrients from peat profiles as well as affect their transport to downstream ecosystems. In our mesocosm experiment, artificial water table fluctuations in pristine peat profiles caused an increase in dissolved organic nitrogen (DON and ammonium (NH4+-N concentrations, while no response was found in drained peat profiles, although originating from the same peatland complex.

  14. The effect of structural complexity, prey density, and "predator-free space" on prey survivorship at created oyster reef mesocosms

    Humphries, Austin T.; La Peyre, Megan K.; Decossas, Gary A.

    2011-01-01

    Interactions between predators and their prey are influenced by the habitat they occupy. Using created oyster (Crassostrea virginica) reef mesocosms, we conducted a series of laboratory experiments that created structure and manipulated complexity as well as prey density and “predator-free space” to examine the relationship between structural complexity and prey survivorship. Specifically, volume and spatial arrangement of oysters as well as prey density were manipulated, and the survivorship of prey (grass shrimp, Palaemonetes pugio) in the presence of a predator (wild red drum, Sciaenops ocellatus) was quantified. We found that the presence of structure increased prey survivorship, and that increasing complexity of this structure further increased survivorship, but only to a point. This agrees with the theory that structural complexity may influence predator-prey dynamics, but that a threshold exists with diminishing returns. These results held true even when prey density was scaled to structural complexity, or the amount of “predator-free space” was manipulated within our created reef mesocosms. The presence of structure and its complexity (oyster shell volume) were more important in facilitating prey survivorship than perceived refugia or density-dependent prey effects. A more accurate indicator of refugia might require “predator-free space” measures that also account for the available area within the structure itself (i.e., volume) and not just on the surface of a structure. Creating experiments that better mimic natural conditions and test a wider range of “predator-free space” are suggested to better understand the role of structural complexity in oyster reefs and other complex habitats.

  15. National inventory of alkylphenol ethoxylate compounds in U.S. sewage sludges and chemical fate in outdoor soil mesocosms

    Venkatesan, Arjun K.; Halden, Rolf U.

    2013-01-01

    We determined the first nationwide inventories of alkylphenol surfactants in U.S. sewage sludges (SS) using samples from the U.S. Environmental Protection Agency's 2001 national SS survey. Additionally, analysis of archived 3-year outdoor mesocosm samples served to determine chemical fates in SS-amended soil. Nonylphenol (NP) was the most abundant analyte (534 ± 192 mg/kg) in SS composites, followed by its mono- and di-ethoxylates (62.1 ± 28 and 59.5 ± 52 mg/kg, respectively). The mean annual load of NP and its ethoxylates in SS was estimated at 2408–7149 metric tonnes, of which 1204–4289 is applied on U.S. land. NP compounds showed observable loss from SS/soil mixtures (1:2), with mean half-lives ranging from 301 to 495 days. Surfactant levels in U.S. SS ten-times in excess of European regulations, substantial releases to U.S. soils, and prolonged half-lives found under field conditions, all argue for the U.S. to follow Europe's move from 20 years ago to regulate these chemicals. -- Highlights: ► First national survey of alkylphenol surfactants in U.S. sewage sludges. ► Nonylphenol (NP) and its ethoxylates were consistently detected in all samples. ► Levels of NP in U.S. biosolids exceed regulatory limit set by European Union. ► Significant surfactant releases to U.S. soils via biosolids land application. ► Half-lives >300 days for NP and its ethoxylates observed in outdoor soil mesocosms. -- First study providing national inventories of alkylphenol surfactants in U.S. sewage sludges (SS), shows significant release of chemicals to U.S. soils through SS land application

  16. Electronic collection of solved physics problems to encourage students’ active approach (not only to self study)

    Koupilová, Zdeňka; Mandíková, Dana; Snětinová, Marie

    2017-01-01

    Ten years ago we started to develop a Collection of Fully Solved Problems aimed at introductory undergraduate and high school level students. The collection is specially designed to encourage students in an active approach to problem solving, e.g. to solve at least some parts of a problem on their own. Nowadays the Collection contains about 800 fully solved problems in physics in Czech and nearly 180 problems in English. It has several hundreds of unique visitors per school day. Based on user feedback, the collection is used by students mainly for their home study and by teachers as a supplementary material. The creation of the structured solution of the physics problems has proved to be a beneficial activity for prospective physics teachers (students of our department). (paper)

  17. Ab initio molecular dynamics, iterative methods and multiscale approaches in electronic structure calculations

    Bernholc, J.

    1998-01-01

    The field of computational materials physics has grown very quickly in the past decade, and it is now possible to simulate properties of complex materials completely from first principles. The presentation has mostly focused on first-principles dynamic simulations. Such simulations have been pioneered by Car and Parrinello, who introduced a method for performing realistic simulations within the context of density functional theory. The Car-Parrinello method and related plane wave approaches are reviewed in depth. The Car-Parrinello method was reviewed and illustrated with several applications: the dynamics of the C 60 solid, diffusion across Si steps, and computing free energy differences. Alternative ab initio simulation schemes, which use preconditioned conjugate gradient techniques for energy minimization and dynamics were also discussed

  18. Electronic collection of solved physics problems to encourage students’ active approach (not only to self study)

    Koupilová, Zdeňka; Mandíková, Dana; Snětinová, Marie

    2017-09-01

    Ten years ago we started to develop a Collection of Fully Solved Problems aimed at introductory undergraduate and high school level students. The collection is specially designed to encourage students in an active approach to problem solving, e.g. to solve at least some parts of a problem on their own. Nowadays the Collection contains about 800 fully solved problems in physics in Czech and nearly 180 problems in English. It has several hundreds of unique visitors per school day. Based on user feedback, the collection is used by students mainly for their home study and by teachers as a supplementary material. The creation of the structured solution of the physics problems has proved to be a beneficial activity for prospective physics teachers (students of our department).

  19. Electronic nature of zwitterionic alkali metal methanides, silanides and germanides - a combined experimental and computational approach.

    Li, H; Aquino, A J A; Cordes, D B; Hase, W L; Krempner, C

    2017-02-01

    Zwitterionic group 14 complexes of the alkali metals of formula [C(SiMe 2 OCH 2 CH 2 OMe) 3 M], (M- 1 ), [Si(SiMe 2 OCH 2 CH 2 OMe) 3 M], (M- 2 ), [Ge(SiMe 2 OCH 2 CH 2 OMe) 3 M], (M- 3 ), where M = Li, Na or K, have been prepared, structurally characterized and their electronic nature was investigated by computational methods. Zwitterions M- 2 and M- 3 were synthesized via reactions of [Si(SiMe 2 OCH 2 CH 2 OMe) 4 ] ( 2 ) and [Ge(SiMe 2 OCH 2 CH 2 OMe) 4 ] ( 3 ) with MOBu t (M = Li, Na or K), resp., in almost quantitative yields, while M- 1 were prepared from deprotonation of [HC(SiMe 2 OCH 2 CH 2 OMe) 3 ] ( 1 ) with LiBu t , NaCH 2 Ph and KCH 2 Ph, resp. X-ray crystallographic studies and DFT calculations in the gas-phase, including calculations of the NPA charges confirm the zwitterionic nature of these compounds, with the alkali metal cations being rigidly locked and charge separated from the anion by the internal OCH 2 CH 2 OMe donor groups. Natural bond orbital (NBO) analysis and the second order perturbation theory analysis of the NBOs reveal significant hyperconjugative interactions in M- 1 -M- 3 , primarily between the lone pair and the antibonding Si-O orbitals, the extent of which decreases in the order M- 1 > M- 2 > M- 3 . The experimental basicities and the calculated gas-phase basicities of M- 1 -M- 3 reveal the zwitterionic alkali metal methanides M- 1 to be significantly stronger bases than the analogous silanides M- 2 and germanium M- 3 .

  20. Contrasting effects of nitrogenous pollution on fitness and swimming performance of Iberian waterfrog, Pelophylax perezi (Seoane, 1885), larvae in mesocosms and field enclosures.

    Egea-Serrano, A; Tejedo, M

    2014-01-01

    Amphibians are declining worldwide and pollutants have been implicated as a major contributor to these declines. To understand these declines, many studies have assessed the impact of pollutants on amphibian behaviour. However, information regarding their effect on locomotor abilities, as well as the intra-specific variation of the tolerance to pollutants, is extremely rare. Further, the majority of studies examining the impact of pollutants on amphibians have been conducted in simplified laboratory settings. Given the complexity of natural systems, determining whether amphibian responses in laboratory studies can be generalized to more realistic natural scenarios is critical. Towards this goal, this study assessed the impact of nitrogenous pollution on survival and fitness-related larval traits (growth, mass and swimming performance) for three populations of the frog Pelophylax perezi, exposed to different degrees of eutrophication in two different and complementary experiments: (1) pond mesocosms, with NH4Cl isolated or combined with NaNO2 and NaNO3, and (2) field enclosures placed in natural streams differing in their degree of pollution. For both mesocosm and field enclosure experiments, larval mortality was unaffected by nitrogenous pollution. However, in the mesocosm experiment, exposure to nitrogenous compounds reduced final larvae mass and growth. In contrast, in the enclosure experiment, polluted locations facilitated final mass and growth of surviving tadpoles. Population-level variation in the effect of pollution was observed for final larval mass in the mesocosm but not in the field enclosure experiment. In addition, although nitrogenous compounds in both mesocosm and natural conditions had no direct effect on absolute larval swimming performance, they may impact the viability of larvae by affecting the relationships between growth and the swimming abilities. The differential pattern found in the impacts of nitrogenous compounds on larvae of P. perezi

  1. Integration of electronic nose technology with spirometry: validation of a new approach for exhaled breath analysis.

    de Vries, R; Brinkman, P; van der Schee, M P; Fens, N; Dijkers, E; Bootsma, S K; de Jongh, F H C; Sterk, P J

    2015-10-15

    New 'omics'-technologies have the potential to better define airway disease in terms of pathophysiological and clinical phenotyping. The integration of electronic nose (eNose) technology with existing diagnostic tests, such as routine spirometry, can bring this technology to 'point-of-care'. We aimed to determine and optimize the technical performance and diagnostic accuracy of exhaled breath analysis linked to routine spirometry. Exhaled breath was collected in triplicate in healthy subjects by an eNose (SpiroNose) based on five identical metal oxide semiconductor sensor arrays (three arrays monitoring exhaled breath and two reference arrays monitoring ambient air) at the rear end of a pneumotachograph. First, the influence of flow, volume, humidity, temperature, environment, etc, was assessed. Secondly, a two-centre case-control study was performed using diagnostic and monitoring visits in day-to-day clinical care in patients with a (differential) diagnosis of asthma, chronic obstructive pulmonary disease (COPD) or lung cancer. Breathprint analysis involved signal processing, environment correction based on alveolar gradients and statistics based on principal component (PC) analysis, followed by discriminant analysis (Matlab2014/SPSS20). Expiratory flow showed a significant linear correlation with raw sensor deflections (R(2)  =  0.84) in 60 healthy subjects (age 43  ±  11 years). No correlation was found between sensor readings and exhaled volume, humidity and temperature. Exhaled data after environment correction were highly reproducible for each sensor array (Cohen's Kappa 0.81-0.94). Thirty-seven asthmatics (41  ±  14.2 years), 31 COPD patients (66  ±  8.4 years), 31 lung cancer patients (63  ±  10.8 years) and 45 healthy controls (41  ±  12.5 years) entered the cross-sectional study. SpiroNose could adequately distinguish between controls, asthma, COPD and lung cancer patients with cross-validation values

  2. Measurement of electron density and electron temperature of a cascaded arc plasma using laser Thomson scattering compared to an optical emission spectroscopic approach

    Yong, WANG; Cong, LI; Jielin, SHI; Xingwei, WU; Hongbin, DING

    2017-11-01

    As advanced linear plasma sources, cascaded arc plasma devices have been used to generate steady plasma with high electron density, high particle flux and low electron temperature. To measure electron density and electron temperature of the plasma device accurately, a laser Thomson scattering (LTS) system, which is generally recognized as the most precise plasma diagnostic method, has been established in our lab in Dalian University of Technology. The electron density has been measured successfully in the region of 4.5 × 1019 m-3 to 7.1 × 1020 m-3 and electron temperature in the region of 0.18 eV to 0.58 eV. For comparison, an optical emission spectroscopy (OES) system was established as well. The results showed that the electron excitation temperature (configuration temperature) measured by OES is significantly higher than the electron temperature (kinetic electron temperature) measured by LTS by up to 40% in the given discharge conditions. The results indicate that the cascaded arc plasma is recombining plasma and it is not in local thermodynamic equilibrium (LTE). This leads to significant error using OES when characterizing the electron temperature in a non-LTE plasma.

  3. An approach to develop chemical intuition for atomistic electron transport calculations using basis set rotations

    Borges, A.; Solomon, G. C. [Department of Chemistry and Nano-Science Center, University of Copenhagen, Universitetsparken 5, 2100 Copenhagen Ø (Denmark)

    2016-05-21

    Single molecule conductance measurements are often interpreted through computational modeling, but the complexity of these calculations makes it difficult to directly link them to simpler concepts and models. Previous work has attempted to make this connection using maximally localized Wannier functions and symmetry adapted basis sets, but their use can be ambiguous and non-trivial. Starting from a Hamiltonian and overlap matrix written in a hydrogen-like basis set, we demonstrate a simple approach to obtain a new basis set that is chemically more intuitive and allows interpretation in terms of simple concepts and models. By diagonalizing the Hamiltonians corresponding to each atom in the molecule, we obtain a basis set that can be partitioned into pseudo-σ and −π and allows partitioning of the Landuaer-Büttiker transmission as well as create simple Hückel models that reproduce the key features of the full calculation. This method provides a link between complex calculations and simple concepts and models to provide intuition or extract parameters for more complex model systems.

  4. A Novel Feature Extraction Approach Using Window Function Capturing and QPSO-SVM for Enhancing Electronic Nose Performance

    Xiuzhen Guo

    2015-06-01

    Full Text Available In this paper, a novel feature extraction approach which can be referred to as moving window function capturing (MWFC has been proposed to analyze signals of an electronic nose (E-nose used for detecting types of infectious pathogens in rat wounds. Meanwhile, a quantum-behaved particle swarm optimization (QPSO algorithm is implemented in conjunction with support vector machine (SVM for realizing a synchronization optimization of the sensor array and SVM model parameters. The results prove the efficacy of the proposed method for E-nose feature extraction, which can lead to a higher classification accuracy rate compared to other established techniques. Meanwhile it is interesting to note that different classification results can be obtained by changing the types, widths or positions of windows. By selecting the optimum window function for the sensor response, the performance of an E-nose can be enhanced.

  5. An approach to an analysis of the energy response of LiF-TLD to high energy electrons

    Shiragai, A.

    1977-01-01

    Responses of LiF-TLD to high energy electrons relative to 60 Co γ-rays were investigated experimentally and theoretically. The Burlin et al. theory (Burlin, T.E., Snelling, R.J., and Owen, B., 1969, in Proc.2nd Symp. on Microdosimetry, Stresa, Italy; Brussels: Commission of European Communities; p.455), its modified version by Almond and McCray (Almond, P.R., and McCray, K., 1970, Phys.Med.Biol., vol.15, 335 and 746) and the Holt et al. semi-empirical theory (Holt, J.G., Edelstein, G.R., and Clark, T.E., 1975, Phys.Med.Biol., vol.20, 559) were examined in comparison with each experiment. An approximate approach to theoretical analysis of energy response of LiF-TLD was attempted and compared with some experimental results. (author)

  6. Radioactive gold nanoparticles with beta energy and auger electron cascades in nanomedicine: green nanotechnology and radiochemical approaches

    Katti, Kattesh V.

    2016-01-01

    In our continued efforts to apply Green Nanotechnology for the development of therapeutic radioactive gold nanoparticles, we have developed a new generation of 198 Au theranostic probes. Laminin receptors are overexpressed in a large number of human tumors and the high in vivo affinity of EGCG toward Laminin receptors has allowed us to develop Laminin receptor specific radioactive gold nanoparticles to achieve tumor specificity. This lecture will provide: (a) Oncological aspects of Auger electrons through nanomedicine; (b) details on the intervention of nuclear activation analysis and various radioanalytical approaches for the production of tumor specific radioactive gold-198 nanoparticles; and (c) full in vivo investigations on therapeutic properties of EGCG-198-AuNP agent in treating prostate tumors

  7. A New Approach to Studying Biological and Soft Materials Using Focused Ion Beam Scanning Electron Microscopy (FIB SEM)

    Stokes, D J; Morrissey, F; Lich, B H

    2006-01-01

    Over the last decade techniques such as confocal light microscopy, in combination with fluorescent labelling, have helped biologists and life scientists to study biological architectures at tissue and cell level in great detail. Meanwhile, obtaining information at very small length scales is possible with the combination of sample preparation techniques and transmission electron microscopy (TEM) or scanning transmission electron microscopy (STEM). Scanning electron microscopy (SEM) is well known for the determination of surface characteristics and morphology. However, the desire to understand the three dimensional relationships of meso-scale hierarchies has led to the development of advanced microscopy techniques, to give a further complementary approach. A focused ion beam (FIB) can be used as a nano-scalpel and hence allows us to reveal internal microstructure in a site-specific manner. Whilst FIB instruments have been used to study and verify the three-dimensional architecture of man made materials, SEM and FIB technologies have now been brought together in a single instrument representing a powerful combination for the study of biological specimens and soft materials. We demonstrate the use of FIB SEM to study three-dimensional relationships for a range of length scales and materials, from small-scale cellular structures to the larger scale interactions between biomedical materials and tissues. FIB cutting of heterogeneous mixtures of hard and soft materials, resulting in a uniform cross-section, has proved to be of particular value since classical preparation methods tend to introduce artefacts. Furthermore, by appropriate selection, we can sequentially cross-section to create a series of 'slices' at specific intervals. 3D reconstruction software can then be used to volume-render information from the 2D slices, enabling us to immediately see the spatial relationships between microstructural components

  8. Implementation of an electronic surgical referral service. Collaboration, consensus and cost of the surgeon – general practitioner Delphi approach

    Augestad KM

    2014-09-01

    Full Text Available Knut Magne Augestad,1–3 Arthur Revhaug,1,3 Roar Johnsen,4 Stein-Olav Skrøvseth,2 Rolv-Ole Lindsetmo1,3 1Department of Gastrointestinal Surgery, 2Department of Integrated Care and Telemedicine, University Hospital North Norway, Tromsø, Norway; 3Department of Colorectal Surgery, University Hospitals Case Medical Center, Cleveland, Ohio, USA; 4Department of Public Health and General Practice, Norwegian University of Science and Technology, Trondheim, Norway Background: Poor coordination between levels of care plays a central role in determining the quality and cost of health care. To improve patient coordination, systematic structures, guidelines, and processes for creating, transferring, and recognizing information are needed to facilitate referral routines. Methods: Prospective observational survey of implementation of electronic medical record (EMR-supported guidelines for surgical treatment. Results: One university clinic, two local hospitals, 31 municipalities, and three EMR vendors participated in the implementation project. Surgical referral guidelines were developed using the Delphi method; 22 surgeons and seven general practitioners (GPs needed 109 hours to reach consensus. Based on consensus guidelines, an electronic referral service supported by a clinical decision support system, fully integrated into the GPs' EMR, was developed. Fifty-five information technology personnel and 563 hours were needed (total cost 67,000 £ to implement a guideline supported system in the EMR for 139 GPs. Economical analyses from a hospital and societal perspective, showed that 504 (range 401–670 and 37 (range 29–49 referred patients, respectively, were needed to provide a cost-effective service. Conclusion: A considerable amount of resources were needed to reach consensus on the surgical referral guidelines. A structured approach by the Delphi method and close collaboration between IT personnel, surgeons and primary care physicians were needed to

  9. A Regularized Deep Learning Approach for Clinical Risk Prediction of Acute Coronary Syndrome Using Electronic Health Records.

    Huang, Zhengxing; Dong, Wei; Duan, Huilong; Liu, Jiquan

    2018-05-01

    Acute coronary syndrome (ACS), as a common and severe cardiovascular disease, is a leading cause of death and the principal cause of serious long-term disability globally. Clinical risk prediction of ACS is important for early intervention and treatment. Existing ACS risk scoring models are based mainly on a small set of hand-picked risk factors and often dichotomize predictive variables to simplify the score calculation. This study develops a regularized stacked denoising autoencoder (SDAE) model to stratify clinical risks of ACS patients from a large volume of electronic health records (EHR). To capture characteristics of patients at similar risk levels, and preserve the discriminating information across different risk levels, two constraints are added on SDAE to make the reconstructed feature representations contain more risk information of patients, which contribute to a better clinical risk prediction result. We validate our approach on a real clinical dataset consisting of 3464 ACS patient samples. The performance of our approach for predicting ACS risk remains robust and reaches 0.868 and 0.73 in terms of both AUC and accuracy, respectively. The obtained results show that the proposed approach achieves a competitive performance compared to state-of-the-art models in dealing with the clinical risk prediction problem. In addition, our approach can extract informative risk factors of ACS via a reconstructive learning strategy. Some of these extracted risk factors are not only consistent with existing medical domain knowledge, but also contain suggestive hypotheses that could be validated by further investigations in the medical domain.

  10. StatSTEM: An efficient approach for accurate and precise model-based quantification of atomic resolution electron microscopy images

    De Backer, A.; Bos, K.H.W. van den [Electron Microscopy for Materials Science (EMAT), University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium); Van den Broek, W. [AG Strukturforschung/Elektronenmikroskopie, Institut für Physik, Humboldt-Universität zu Berlin, Newtonstraße 15, 12489 Berlin (Germany); Sijbers, J. [iMinds-Vision Lab, University of Antwerp, Universiteitsplein 1, 2610 Wilrijk (Belgium); Van Aert, S., E-mail: sandra.vanaert@uantwerpen.be [Electron Microscopy for Materials Science (EMAT), University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium)

    2016-12-15

    An efficient model-based estimation algorithm is introduced to quantify the atomic column positions and intensities from atomic resolution (scanning) transmission electron microscopy ((S)TEM) images. This algorithm uses the least squares estimator on image segments containing individual columns fully accounting for overlap between neighbouring columns, enabling the analysis of a large field of view. For this algorithm, the accuracy and precision with which measurements for the atomic column positions and scattering cross-sections from annular dark field (ADF) STEM images can be estimated, has been investigated. The highest attainable precision is reached even for low dose images. Furthermore, the advantages of the model-based approach taking into account overlap between neighbouring columns are highlighted. This is done for the estimation of the distance between two neighbouring columns as a function of their distance and for the estimation of the scattering cross-section which is compared to the integrated intensity from a Voronoi cell. To provide end-users this well-established quantification method, a user friendly program, StatSTEM, is developed which is freely available under a GNU public license. - Highlights: • An efficient model-based method for quantitative electron microscopy is introduced. • Images are modelled as a superposition of 2D Gaussian peaks. • Overlap between neighbouring columns is taken into account. • Structure parameters can be obtained with the highest precision and accuracy. • StatSTEM, auser friendly program (GNU public license) is developed.

  11. Shape-driven graphical unitary group approach to the electron correlation problem. Application to the ethylene molecule

    Saxe, P.; Fox, D.J.; Schaefer, H.F. III; Handy, N.C.

    1982-01-01

    A new method for the approximate solution of Schroedinger's equation for many electron molecular systems is outlined. The new method is based on the unitary group approach (UGA) and exploits in particular the shape of loops appearing in Shavitt's graphical representation for the UGA. The method is cast in the form of a direct CI, makes use of Siegbahn's external space simplifications, and is suitable for very large configuration interaction (CI) wave functions. The ethylene molecule was chosen, as a prototype of unsaturated organic molecules, for the variational study of genuine many (i.e.,>2) body correlation effects. With a double zeta plus polarization basis set, the largest CI included all valence electron single and double excitations with respect to a 703 configuration natural orbital reference function. This variational calculation, involving 1 046 758 spin- and space-adapted 1 A/sub g/ configurations, was carried out on a minicomputer. Triple excitations are found to contribute 2.3% of the correlation energy and quadruple excitations 6.4%

  12. Quantum chaos in multicharged ions and statistical approach to the calculation of electron-ion resonant radiative recombination

    Gribakin, G.F.; Gribakina, A.A.; Flambaum, V.V.

    1999-01-01

    We show that the spectrum and eigenstates of open-shell multicharged atomic ions near the ionisation threshold are chaotic, as a result of extremely high level densities of multiply excited electron states (10 3 eV -1 in Au 24+ ) and strong configuration mixing. This complexity enables one to use statistical methods to analyse the system. We examine the dependence of the orbital occupation numbers and single-particle energies on the excitation energy of the system, and show that the occupation numbers are described by the Fermi-Dirac distribution, and the temperature and chemical potential can be introduced. The Fermi-Dirac temperature is close to the temperature defined through the canonical distribution. Using a statistical approach we estimate the contribution of multielectron resonant states to the radiative capture of low-energy electrons by Au 25+ and demonstrate that this mechanism fully accounts for the 10 2 times enhancement of the recombination over the direct radiative recombination, in agreement with recent experimental observations. Copyright (1999) CSIRO Australia

  13. Multistate electron transfer dynamics in the condensed phase: Exact calculations from the reduced hierarchy equations of motion approach

    Tanaka, Midori; Tanimura, Yoshitaka

    2010-01-01

    Multiple displaced oscillators coupled to an Ohmic heat bath are used to describe electron transfer (ET) in a dissipative environment. By performing a canonical transformation, the model is reduced to a multilevel system coupled to a heat bath with the Brownian spectral distribution. A reduced hierarchy equations of motion approach is introduced for numerically rigorous simulation of the dynamics of the three-level system with various oscillator configurations, for different nonadiabatic coupling strengths and damping rates, and at different temperatures. The time evolution of the reduced density matrix elements illustrates the interplay of coherences between the electronic and vibrational states. The ET reaction rates, defined as a flux-flux correlation function, are calculated using the linear response of the system to an external perturbation as a function of activation energy. The results exhibit an asymmetric inverted parabolic profile in a small activation regime due to the presence of the intermediate state between the reactant and product states and a slowly decaying profile in a large activation energy regime, which arises from the quantum coherent transitions.

  14. Multicharacterization approach for studying InAl(Ga)N/Al(Ga)N/GaN heterostructures for high electron mobility transistors

    Naresh-Kumar, G., E-mail: naresh.gunasekar@strath.ac.uk; Trager-Cowan, C. [Dept of Physics, SUPA, University of Strathclyde, Glasgow G4 0NG (United Kingdom); Vilalta-Clemente, A.; Morales, M.; Ruterana, P. [CIMAP UMR 6252 CNRS-ENSICAEN-CEA-UCBN 14050 Caen Cedex (France); Pandey, S.; Cavallini, A.; Cavalcoli, D. [Dipartimento di Fisica Astronomia, Università di Bologna, 40127 Bologna (Italy); Skuridina, D.; Vogt, P.; Kneissl, M. [Institute of Solid State Physics, Technical University Berlin, 10623 Berlin (Germany); Behmenburg, H.; Giesen, C.; Heuken, M. [AIXTRON SE, Kaiserstr. 98, 52134 Herzogenrath (Germany); Gamarra, P.; Di Forte-Poisson, M. A. [Thales Research and Technology, III-V Lab, 91460 Marcoussis (France); Patriarche, G. [LPN, Route de Nozay, 91460 Marcoussis (France); Vickridge, I. [Institut des NanoSciences, Université Pierre et Marie Curie, 75015 Paris (France)

    2014-12-15

    We report on our multi–pronged approach to understand the structural and electrical properties of an InAl(Ga)N(33nm barrier)/Al(Ga)N(1nm interlayer)/GaN(3μm)/ AlN(100nm)/Al{sub 2}O{sub 3} high electron mobility transistor (HEMT) heterostructure grown by metal organic vapor phase epitaxy (MOVPE). In particular we reveal and discuss the role of unintentional Ga incorporation in the barrier and also in the interlayer. The observation of unintentional Ga incorporation by using energy dispersive X–ray spectroscopy analysis in a scanning transmission electron microscope is supported with results obtained for samples with a range of AlN interlayer thicknesses grown under both the showerhead as well as the horizontal type MOVPE reactors. Poisson–Schrödinger simulations show that for high Ga incorporation in the Al(Ga)N interlayer, an additional triangular well with very small depth may be exhibited in parallel to the main 2–DEG channel. The presence of this additional channel may cause parasitic conduction and severe issues in device characteristics and processing. Producing a HEMT structure with InAlGaN as the barrier and AlGaN as the interlayer with appropriate alloy composition may be a possible route to optimization, as it might be difficult to avoid Ga incorporation while continuously depositing the layers using the MOVPE growth method. Our present work shows the necessity of a multicharacterization approach to correlate structural and electrical properties to understand device structures and their performance.

  15. Multicharacterization approach for studying InAl(GaN/Al(GaN/GaN heterostructures for high electron mobility transistors

    G. Naresh-Kumar

    2014-12-01

    Full Text Available We report on our multi–pronged approach to understand the structural and electrical properties of an InAl(GaN(33nm barrier/Al(GaN(1nm interlayer/GaN(3μm/ AlN(100nm/Al2O3 high electron mobility transistor (HEMT heterostructure grown by metal organic vapor phase epitaxy (MOVPE. In particular we reveal and discuss the role of unintentional Ga incorporation in the barrier and also in the interlayer. The observation of unintentional Ga incorporation by using energy dispersive X–ray spectroscopy analysis in a scanning transmission electron microscope is supported with results obtained for samples with a range of AlN interlayer thicknesses grown under both the showerhead as well as the horizontal type MOVPE reactors. Poisson–Schrödinger simulations show that for high Ga incorporation in the Al(GaN interlayer, an additional triangular well with very small depth may be exhibited in parallel to the main 2–DEG channel. The presence of this additional channel may cause parasitic conduction and severe issues in device characteristics and processing. Producing a HEMT structure with InAlGaN as the barrier and AlGaN as the interlayer with appropriate alloy composition may be a possible route to optimization, as it might be difficult to avoid Ga incorporation while continuously depositing the layers using the MOVPE growth method. Our present work shows the necessity of a multicharacterization approach to correlate structural and electrical properties to understand device structures and their performance.

  16. Concepts and approaches for marine ecosystem research with reference to the tropics

    Matthias Wolff

    2002-01-01

    The present article gives an overview on the leading concepts and modelling approaches for marine ecosystems’ research including (1) The trophodynamic theory of pelagic ecosystems, (2) Compartment/network models, (3) Mesocosm experiments and (4) Individual based modelling approaches and virtual ecosystems (VE). The main research questions addressed, as well as the potential and limits of each approach, are summarized and discussed and it is shown how the concept of ecosystem has changed over ...

  17. Efficient and accurate local approximations to coupled-electron pair approaches: An attempt to revive the pair natural orbital method.

    Neese, Frank; Wennmohs, Frank; Hansen, Andreas

    2009-03-21

    Coupled-electron pair approximations (CEPAs) and coupled-pair functionals (CPFs) have been popular in the 1970s and 1980s and have yielded excellent results for small molecules. Recently, interest in CEPA and CPF methods has been renewed. It has been shown that these methods lead to competitive thermochemical, kinetic, and structural predictions. They greatly surpass second order Moller-Plesset and popular density functional theory based approaches in accuracy and are intermediate in quality between CCSD and CCSD(T) in extended benchmark studies. In this work an efficient production level implementation of the closed shell CEPA and CPF methods is reported that can be applied to medium sized molecules in the range of 50-100 atoms and up to about 2000 basis functions. The internal space is spanned by localized internal orbitals. The external space is greatly compressed through the method of pair natural orbitals (PNOs) that was also introduced by the pioneers of the CEPA approaches. Our implementation also makes extended use of density fitting (or resolution of the identity) techniques in order to speed up the laborious integral transformations. The method is called local pair natural orbital CEPA (LPNO-CEPA) (LPNO-CPF). The implementation is centered around the concepts of electron pairs and matrix operations. Altogether three cutoff parameters are introduced that control the size of the significant pair list, the average number of PNOs per electron pair, and the number of contributing basis functions per PNO. With the conservatively chosen default values of these thresholds, the method recovers about 99.8% of the canonical correlation energy. This translates to absolute deviations from the canonical result of only a few kcal mol(-1). Extended numerical test calculations demonstrate that LPNO-CEPA (LPNO-CPF) has essentially the same accuracy as parent CEPA (CPF) methods for thermochemistry, kinetics, weak interactions, and potential energy surfaces but is up to 500

  18. Electronic Waste in Bangladesh: Evaluating the Situation, Legislation and Policy and Way Forward With Strategy and Approach

    Alam Mahbub

    2015-05-01

    Full Text Available Electronic waste (e-waste is one of the fastest-growing pollution problems worldwide given the presence if a variety of toxic substances which can contaminate the environment and threaten human health, if disposal protocols are not meticulously managed. In Bangladesh almost 2.7 million metric tons of e-waste generated per year. Of this amount only 20 to 30 percent is recycled and the rest of the waste is released in to landfills, rivers, drains lakes, canals, open spaces which are very hazardous for the health and environment. Since Bangladesh is in the stream of rapid technological advancement, it is seldom to take necessary steps to avoid the future jeopardized situation because of e-waste. The current practices of e-waste management in Bangladesh suffer from a number of drawbacks like the difficulty in inventorisation, unhealthy conditions of informal recycling, inadequate legislation and policy, poor awareness and reluctance on part of the corporate to address the critical issues. The paper highlights the associated issues and strategies to address this emerging problem, analyses the policy and its gaps. Therefore, this paper also suggest that e-waste policy development may require a more customized approach where, instead of addressing e-waste in isolation, it should be addressed as part of the national development agenda that integrates green economy assessment and strategic environmental assessment as part of national policy planning. Finally this work also suggests some alternative strategies and approaches to overcome the challenges of e-waste.

  19. Generalized theory of a free-electron laser in a helical wiggler and guide magnetic fields using the kinetic approach

    Misra, K.D.; Mishra, P.K.

    2002-01-01

    A self-consistent theory of a free-electron laser is developed by the kinetic approach, using the method of characteristics in helical wiggler and guide magnetic fields. The detailed relativistic particle trajectories obtained in wiggler and guide magnetic fields are used in linearized Vlasov-Maxwell equations having variations in perpendicular and parallel momenta to obtain the perturbed distribution function in terms of perturbed electric and magnetic fields deviating from the vector potential approach. The perturbed distribution function thus obtained, having variations in perpendicular and parallel momenta for an arbitrary distribution function, is used to obtain current, conductivity and dielectric tensors. The full dispersion relation (FDR) and Compton dispersion relation (CDR) have been obtained. The dispersion diagram has been obtained and the interaction of the negative longitudinal space charge with the electromagnetic wave has been shown. The temporal growth rates obtained from the full dispersion relation and Compton dispersion relation for the tenuous cold relativistic beam in microwave region have been discussed

  20. Primary marine aerosol emissions from the Mediterranean Sea during pre-bloom and oligotrophic conditions: correlations to seawater chlorophyll a from a mesocosm study

    Schwier , A. N.; Rose , C.; Asmi , E.; Ebling , A. M.; Landing , W. M.; Marro , S.; Pedrotti , M.-L.; Sallon , A.; Iuculano , F.; Agusti , S.; Tsiola , A.; Pitta , P.; Louis , J.; Guieu , C.; Gazeau , F.

    2015-01-01

    The effect of ocean acidification and changing water conditions on primary (and secondary) marine aerosol emissions is not well understood on a regional or a global scale. To investigate this effect as well as the indirect effect on aerosol that changing biogeochemical parameters can have, ~ 52 m3 pelagic mesocosms were deployed for several weeks in the Mediterranean Sea during both winter pre-bloom and summer oligotrophic conditions and were subjected to various levels of C...

  1. Will the Displacement of Zebra Mussels by Quagga Mussels Increase Water Clarity in Shallow Lakes during Summer? Results from a Mesocosm Experiment

    Mei, Xueying; Zhang, Xiufeng; Kassam, Sinan-Saleh; Rudstam, Lars G.

    2016-01-01

    Zebra mussels (Dreissena polymorpha) are known to increase water clarity and affect ecosystem processes in invaded lakes. During the last decade, the conspecific quagga mussels (D. rostriformis bugensis) have displaced zebra mussels in many ecosystems including shallow lakes such as Oneida Lake, New York. In this study, an eight-week mesocosm experiment was conducted to test the hypothesis that the displacement of zebra mussels by quagga mussels leads to further decreases in phytoplankton and...

  2. Restored Drill Cuttings for Wetlands Creation: Results of Mesocosm Approach to Emulate Field Conditions Under Varying Salinity and Hydrologic Conditions

    Hester, Mark W.; Shaffer, Gary P.; Willis, Jonathan M.; DesRoches, Dennis J.

    2002-06-03

    Both interstitial water and plant tissue associated with the DC-A substrate exhibited low metal concentrations. Also in agreement with the previous study, plant performance in the DC-A substrate was found to be comparable to plant performance in the dredge spoil and topsoil substrates. This was extremely important because it indicated that the drill cuttings themselves served as an excellent substrate for wetland plant growth, but that the processing and stabilization techniques and drilling fluid formulations required further refinement.

  3. Restored Drill Cuttings for Wetlands Creation: Results of Mesocosm Approach to Emulate Field Conditions Under Varying Salinity and Hydrologic Conditions

    Hester, Mark W.; Shaffer, Gary P.; Willis Jonathan M.; DesRoches, Dennis J.

    2001-02-21

    This study builds upon earlier research conducted by Southeastern Louisiana University concerning the efficacy of utilizing processed drill cuttings as an alternative substrate source for wetland rehabilitation (wetland creation and restoration). Previous research has indicated that processed drill cuttings exhibit a low degree of contaminant migration from the process drill cuttings to interstitial water and low toxicity, as tested by seven-day mysid shrimp chronic toxicity trials.

  4. Global analysis of gene expression dynamics within the marine microbial community during the VAHINE mesocosm experiment in the southwest Pacific

    Pfreundt, Ulrike; Spungin, Dina; Bonnet, Sophie; Berman-Frank, Ilana; Hess, Wolfgang R.

    2016-07-01

    Microbial gene expression was followed for 23 days within a mesocosm (M1) isolating 50 m3 of seawater and in the surrounding waters in the Nouméa lagoon, New Caledonia, in the southwest Pacific as part of the VAriability of vertical and tropHIc transfer of diazotroph derived N in the south wEst Pacific (VAHINE) experiment. The aim of VAHINE was to examine the fate of diazotroph-derived nitrogen (DDN) in a low-nutrient, low-chlorophyll ecosystem. On day 4 of the experiment, the mesocosm was fertilized with phosphate. In the lagoon, gene expression was dominated by the cyanobacterium Synechococcus, closely followed by Alphaproteobacteria. In contrast, drastic changes in the microbial community composition and transcriptional activity were triggered within the mesocosm within the first 4 days, with transcription bursts from different heterotrophic bacteria in rapid succession. The microbial composition and activity of the surrounding lagoon ecosystem appeared more stable, although following similar temporal trends as in M1. We detected significant gene expression from Chromerida in M1, as well as the Nouméa lagoon, suggesting these photoautotrophic alveolates were present in substantial numbers in the open water. Other groups contributing substantially to the metatranscriptome were affiliated with marine Euryarchaeota Candidatus Thalassoarchaea (inside and outside) and Myoviridae bacteriophages likely infecting Synechococcus, specifically inside M1. High transcript abundances for ammonium transporters and glutamine synthetase in many different taxa (e.g., Pelagibacteraceae, Synechococcus, Prochlorococcus, and Rhodobacteraceae) was consistent with the known preference of most bacteria for this nitrogen source. In contrast, Alteromonadaceae highly expressed urease genes; Rhodobacteraceae and Prochlorococcus showed some urease expression, too. Nitrate reductase transcripts were detected on day 10 very prominently in Synechococcus and in Halomonadaceae. Alkaline

  5. Loop-driven graphical unitary group approach to the electron correlation problem, including configuration interaction energy gradients

    Brooks, B.R.

    1979-09-01

    The Graphical Unitary Group Approach (GUGA) was cast into an extraordinarily powerful form by restructuring the Hamiltonian in terms of loop types. This restructuring allows the adoption of the loop-driven formulation which illuminates vast numbers of previously unappreciated relationships between otherwise distinct Hamiltonian matrix elements. The theoretical/methodological contributions made here include the development of the loop-driven formula generation algorithm, a solution of the upper walk problem used to develop a loop breakdown algorithm, the restriction of configuration space employed to the multireference interacting space, and the restructuring of the Hamiltonian in terms of loop types. Several other developments are presented and discussed. Among these developments are the use of new segment coefficients, improvements in the loop-driven algorithm, implicit generation of loops wholly within the external space adapted within the framework of the loop-driven methodology, and comparisons of the diagonalization tape method to the direct method. It is also shown how it is possible to implement the GUGA method without the time-consuming full (m 5 ) four-index transformation. A particularly promising new direction presented here involves the use of the GUGA methodology to obtain one-electron and two-electron density matrices. Once these are known, analytical gradients (first derivatives) of the CI potential energy are easily obtained. Several test calculations are examined in detail to illustrate the unique features of the method. Also included is a calculation on the asymmetric 2 1 A' state of SO 2 with 23,613 configurations to demonstrate methods for the diagonalization of very large matrices on a minicomputer. 6 figures, 6 tables

  6. Comparison of Electron Transmittance and Tunneling Current through a Trapezoidal Potential Barrier with Spin Polarization Consideration by using Analytical and Numerical Approaches

    Nabila, Ezra; Noor, Fatimah A.; Khairurrijal

    2017-07-01

    In this study, we report an analytical calculation of electron transmittance and polarized tunneling current in a single barrier heterostructure of a metal-GaSb-metal by considering the Dresselhaus spin orbit effect. Exponential function, WKB method and Airy function were used in calculating the electron transmittance and tunneling current. A Transfer Matrix Method, as a numerical method, was utilized as the benchmark to evaluate the analytical calculation. It was found that the transmittances calculated under exponential function and Airy function is the same as that calculated under TMM method at low electron energy. However, at high electron energy only the transmittance calculated under Airy function approach is the same as that calculated under TMM method. It was also shown that the transmittances both of spin-up and spin-down conditions increase as the electron energy increases for low energies. Furthermore, the tunneling current decreases with increasing the barrier width.

  7. A Power Electronic and Drives Curriculum with Project-oriented and Problem-based Learning: A Dynamic Teaching Approach for the Future

    Blaabjerg, Frede

    2002-01-01

    extra study time. This paper present a teaching approach which makes it possible very fast for the student to get in-depth skills in this important area which is the problem-oriented and project-based learning. The trend and application of power electronics are illustrated. The necessary skills...... for power electronic engineers are outlined followed up by a discussion on how problem-oriented and project-based learning are implemented. A complete curriculum at Aalborg University is presented where different power electronics related projects at different study levels are carried out....

  8. Novel Approaches to Spectral Properties of Correlated Electron Materials: From Generalized Kohn-Sham Theory to Screened Exchange Dynamical Mean Field Theory

    Delange, Pascal; Backes, Steffen; van Roekeghem, Ambroise; Pourovskii, Leonid; Jiang, Hong; Biermann, Silke

    2018-04-01

    The most intriguing properties of emergent materials are typically consequences of highly correlated quantum states of their electronic degrees of freedom. Describing those materials from first principles remains a challenge for modern condensed matter theory. Here, we review, apply and discuss novel approaches to spectral properties of correlated electron materials, assessing current day predictive capabilities of electronic structure calculations. In particular, we focus on the recent Screened Exchange Dynamical Mean-Field Theory scheme and its relation to generalized Kohn-Sham Theory. These concepts are illustrated on the transition metal pnictide BaCo2As2 and elemental zinc and cadmium.

  9. Influence of Ocean Acidification on a Natural Winter-to-Summer Plankton Succession: First Insights from a Long-Term Mesocosm Study Draw Attention to Periods of Low Nutrient Concentrations

    Taucher, Jan; Boxhammer, Tim; Ludwig, Andrea; Achterberg, Eric P.; Algueró-Muñiz, María; Anderson, Leif G.; Bellworthy, Jessica; Büdenbender, Jan; Czerny, Jan; Ericson, Ylva; Esposito, Mario; Fischer, Matthias; Haunost, Mathias; Hellemann, Dana; Horn, Henriette G.; Hornick, Thomas; Meyer, Jana; Sswat, Michael; Zark, Maren; Riebesell, Ulf

    2016-01-01

    Every year, the oceans absorb about 30% of anthropogenic carbon dioxide (CO2) leading to a re-equilibration of the marine carbonate system and decreasing seawater pH. Today, there is increasing awareness that these changes–summarized by the term ocean acidification (OA)–could differentially affect the competitive ability of marine organisms, thereby provoking a restructuring of marine ecosystems and biogeochemical element cycles. In winter 2013, we deployed ten pelagic mesocosms in the Gullmar Fjord at the Swedish west coast in order to study the effect of OA on plankton ecology and biogeochemistry under close to natural conditions. Five of the ten mesocosms were left unperturbed and served as controls (~380 μatm pCO2), whereas the others were enriched with CO2-saturated water to simulate realistic end-of-the-century carbonate chemistry conditions (~760 μatm pCO2). We ran the experiment for 113 days which allowed us to study the influence of high CO2 on an entire winter-to-summer plankton succession and to investigate the potential of some plankton organisms for evolutionary adaptation to OA in their natural environment. This paper is the first in a PLOS collection and provides a detailed overview on the experimental design, important events, and the key complexities of such a “long-term mesocosm” approach. Furthermore, we analyzed whether simulated end-of-the-century carbonate chemistry conditions could lead to a significant restructuring of the plankton community in the course of the succession. At the level of detail analyzed in this overview paper we found that CO2-induced differences in plankton community composition were non-detectable during most of the succession except for a period where a phytoplankton bloom was fueled by remineralized nutrients. These results indicate: (1) Long-term studies with pelagic ecosystems are necessary to uncover OA-sensitive stages of succession. (2) Plankton communities fueled by regenerated nutrients may be more

  10. Ocean Acidification Experiments in Large-Scale Mesocosms Reveal Similar Dynamics of Dissolved Organic Matter Production and Biotransformation

    Maren Zark

    2017-09-01

    Full Text Available Dissolved organic matter (DOM represents a major reservoir of carbon in the oceans. Environmental stressors such as ocean acidification (OA potentially affect DOM production and degradation processes, e.g., phytoplankton exudation or microbial uptake and biotransformation of molecules. Resulting changes in carbon storage capacity of the ocean, thus, may cause feedbacks on the global carbon cycle. Previous experiments studying OA effects on the DOM pool under natural conditions, however, were mostly conducted in temperate and coastal eutrophic areas. Here, we report on OA effects on the existing and newly produced DOM pool during an experiment in the subtropical North Atlantic Ocean at the Canary Islands during an (1 oligotrophic phase and (2 after simulated deep water upwelling. The last is a frequently occurring event in this region controlling nutrient and phytoplankton dynamics. We manipulated nine large-scale mesocosms with a gradient of pCO2 ranging from ~350 up to ~1,030 μatm and monitored the DOM molecular composition using ultrahigh-resolution mass spectrometry via Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR-MS. An increase of 37 μmol L−1 DOC was observed in all mesocosms during a phytoplankton bloom induced by simulated upwelling. Indications for enhanced DOC accumulation under elevated CO2 became apparent during a phase of nutrient recycling toward the end of the experiment. The production of DOM was reflected in changes of the molecular DOM composition. Out of the 7,212 molecular formulae, which were detected throughout the experiment, ~50% correlated significantly in mass spectrometric signal intensity with cumulative bacterial protein production (BPP and are likely a product of microbial transformation. However, no differences in the produced compounds were found with respect to CO2 levels. Comparing the results of this experiment with a comparable OA experiment in the Swedish Gullmar Fjord, reveals

  11. Understand electronics

    Bishop, Owen

    2013-01-01

    Understand Electronics provides a readable introduction to the exciting world of electronics for the student or enthusiast with little previous knowledge. The subject is treated with the minimum of mathematics and the book is extensively illustrated.This is an essential guide for the newcomer to electronics, and replaces the author's best-selling Beginner's Guide to Electronics.The step-by-step approach makes this book ideal for introductory courses such as the Intermediate GNVQ.

  12. Comparing the Performance of NoSQL Approaches for Managing Archetype-Based Electronic Health Record Data

    Freire, Sergio Miranda; Teodoro, Douglas; Wei-Kleiner, Fang; Sundvall, Erik; Karlsson, Daniel; Lambrix, Patrick

    2016-01-01

    This study provides an experimental performance evaluation on population-based queries of NoSQL databases storing archetype-based Electronic Health Record (EHR) data. There are few published studies regarding the performance of persistence mechanisms for systems that use multilevel modelling approaches, especially when the focus is on population-based queries. A healthcare dataset with 4.2 million records stored in a relational database (MySQL) was used to generate XML and JSON documents based on the openEHR reference model. Six datasets with different sizes were created from these documents and imported into three single machine XML databases (BaseX, eXistdb and Berkeley DB XML) and into a distributed NoSQL database system based on the MapReduce approach, Couchbase, deployed in different cluster configurations of 1, 2, 4, 8 and 12 machines. Population-based queries were submitted to those databases and to the original relational database. Database size and query response times are presented. The XML databases were considerably slower and required much more space than Couchbase. Overall, Couchbase had better response times than MySQL, especially for larger datasets. However, Couchbase requires indexing for each differently formulated query and the indexing time increases with the size of the datasets. The performances of the clusters with 2, 4, 8 and 12 nodes were not better than the single node cluster in relation to the query response time, but the indexing time was reduced proportionally to the number of nodes. The tested XML databases had acceptable performance for openEHR-based data in some querying use cases and small datasets, but were generally much slower than Couchbase. Couchbase also outperformed the response times of the relational database, but required more disk space and had a much longer indexing time. Systems like Couchbase are thus interesting research targets for scalable storage and querying of archetype-based EHR data when population-based use

  13. Comparing the Performance of NoSQL Approaches for Managing Archetype-Based Electronic Health Record Data.

    Freire, Sergio Miranda; Teodoro, Douglas; Wei-Kleiner, Fang; Sundvall, Erik; Karlsson, Daniel; Lambrix, Patrick

    2016-01-01

    This study provides an experimental performance evaluation on population-based queries of NoSQL databases storing archetype-based Electronic Health Record (EHR) data. There are few published studies regarding the performance of persistence mechanisms for systems that use multilevel modelling approaches, especially when the focus is on population-based queries. A healthcare dataset with 4.2 million records stored in a relational database (MySQL) was used to generate XML and JSON documents based on the openEHR reference model. Six datasets with different sizes were created from these documents and imported into three single machine XML databases (BaseX, eXistdb and Berkeley DB XML) and into a distributed NoSQL database system based on the MapReduce approach, Couchbase, deployed in different cluster configurations of 1, 2, 4, 8 and 12 machines. Population-based queries were submitted to those databases and to the original relational database. Database size and query response times are presented. The XML databases were considerably slower and required much more space than Couchbase. Overall, Couchbase had better response times than MySQL, especially for larger datasets. However, Couchbase requires indexing for each differently formulated query and the indexing time increases with the size of the datasets. The performances of the clusters with 2, 4, 8 and 12 nodes were not better than the single node cluster in relation to the query response time, but the indexing time was reduced proportionally to the number of nodes. The tested XML databases had acceptable performance for openEHR-based data in some querying use cases and small datasets, but were generally much slower than Couchbase. Couchbase also outperformed the response times of the relational database, but required more disk space and had a much longer indexing time. Systems like Couchbase are thus interesting research targets for scalable storage and querying of archetype-based EHR data when population-based use

  14. Progress of alternative sintering approaches of inkjet-printed metal inks and their application for manufacturing of flexible electronic devices

    Wünscher, S.; Abbel, R.; Perelaer, J.; Schubert, U.S.

    2014-01-01

    Well-defined high resolution structures with excellent electrical conductivities are key components of almost every electronic device. Producing these by printing metal based conductive inks on polymer foils represents an important step forward towards the manufacturing of plastic electronic

  15. SU-G-JeP2-02: A Unifying Multi-Atlas Approach to Electron Density Mapping Using Multi-Parametric MRI for Radiation Treatment Planning

    Ren, S [Stanford University, Stanford, CA (United States); Tianjin University, Tianjin (China); Hara, W; Le, Q; Wang, L; Xing, L; Li, R [Stanford University, Stanford, CA (United States)

    2016-06-15

    Purpose: MRI has a number of advantages over CT as a primary modality for radiation treatment planning (RTP). However, one key bottleneck problem still remains, which is the lack of electron density information in MRI. In the work, a reliable method to map electron density is developed by leveraging the differential contrast of multi-parametric MRI. Methods: We propose a probabilistic Bayesian approach for electron density mapping based on T1 and T2-weighted MRI, using multiple patients as atlases. For each voxel, we compute two conditional probabilities: (1) electron density given its image intensity on T1 and T2-weighted MR images, and (2) electron density given its geometric location in a reference anatomy. The two sources of information (image intensity and spatial location) are combined into a unifying posterior probability density function using the Bayesian formalism. The mean value of the posterior probability density function provides the estimated electron density. Results: We evaluated the method on 10 head and neck patients and performed leave-one-out cross validation (9 patients as atlases and remaining 1 as test). The proposed method significantly reduced the errors in electron density estimation, with a mean absolute HU error of 138, compared with 193 for the T1-weighted intensity approach and 261 without density correction. For bone detection (HU>200), the proposed method had an accuracy of 84% and a sensitivity of 73% at specificity of 90% (AUC = 87%). In comparison, the AUC for bone detection is 73% and 50% using the intensity approach and without density correction, respectively. Conclusion: The proposed unifying method provides accurate electron density estimation and bone detection based on multi-parametric MRI of the head with highly heterogeneous anatomy. This could allow for accurate dose calculation and reference image generation for patient setup in MRI-based radiation treatment planning.

  16. SU-G-JeP2-02: A Unifying Multi-Atlas Approach to Electron Density Mapping Using Multi-Parametric MRI for Radiation Treatment Planning

    Ren, S; Hara, W; Le, Q; Wang, L; Xing, L; Li, R

    2016-01-01

    Purpose: MRI has a number of advantages over CT as a primary modality for radiation treatment planning (RTP). However, one key bottleneck problem still remains, which is the lack of electron density information in MRI. In the work, a reliable method to map electron density is developed by leveraging the differential contrast of multi-parametric MRI. Methods: We propose a probabilistic Bayesian approach for electron density mapping based on T1 and T2-weighted MRI, using multiple patients as atlases. For each voxel, we compute two conditional probabilities: (1) electron density given its image intensity on T1 and T2-weighted MR images, and (2) electron density given its geometric location in a reference anatomy. The two sources of information (image intensity and spatial location) are combined into a unifying posterior probability density function using the Bayesian formalism. The mean value of the posterior probability density function provides the estimated electron density. Results: We evaluated the method on 10 head and neck patients and performed leave-one-out cross validation (9 patients as atlases and remaining 1 as test). The proposed method significantly reduced the errors in electron density estimation, with a mean absolute HU error of 138, compared with 193 for the T1-weighted intensity approach and 261 without density correction. For bone detection (HU>200), the proposed method had an accuracy of 84% and a sensitivity of 73% at specificity of 90% (AUC = 87%). In comparison, the AUC for bone detection is 73% and 50% using the intensity approach and without density correction, respectively. Conclusion: The proposed unifying method provides accurate electron density estimation and bone detection based on multi-parametric MRI of the head with highly heterogeneous anatomy. This could allow for accurate dose calculation and reference image generation for patient setup in MRI-based radiation treatment planning.

  17. Online versus offline corrections: opposition or evolution? A comparison of two electronic portal imaging approaches for locally advanced prostate cancer

    Middleton, Mark; Medwell, Steve; Wong, Jacky; Lynton-Moll, Mary; Rolfo, Aldo; See Andrew; Joon, Michael Lim

    2006-01-01

    Given the onset of dose escalation and increased planning target volume (PTV) conformity, the requirement of accurate field placement has also increased. This study compares and contrasts a combination offline/online electronic portal imaging (EPI) device correction with a complete online correction protocol and assesses their relative effectiveness in managing set-up error. Field placement data was collected on patients receiving radical radiotherapy to the prostate. Ten patients were on an initial combination offline/online correction protocol, followed by another 10 patients on a complete online correction protocol. Analysis of 1480 portal images from 20 patients was carried out, illustrating that a combination offline/online approach can be very effective in dealing with the systematic component of set-up error, but it is only when a complete online correction protocol is employed that both systematic and random set-up errors can be managed. Now, EPI protocols have evolved considerably and online corrections are a highly effective tool in the quest for more accurate field placement. This study discusses the clinical workload impact issues that need to be addressed in order for an online correction protocol to be employed, and addresses many of the practical issues that need to be resolved. Management of set-up error is paramount when seeking to dose escalate and only an online correction protocol can manage both components of set-up error. Both systematic and random errors are important and can be effectively and efficiently managed

  18. The impact of university provided nurse electronic medical record training on health care organizations: an exploratory simulation approach.

    Abrahamson, Kathleen; Anderson, James G; Borycki, Elizabeth M; Kushniruk, Andre W; Malovec, Shannon; Espejo, Angela; Anderson, Marilyn

    2015-01-01

    Training providers appropriately, particularly early in their caregiving careers, is an important aspect of electronic medical record (EMR) implementation. Considerable time and resources are needed to bring the newly hired providers 'up to speed' with the actual use practices of the organization. Similarly, universities lose valuable clinical training hours when students are required to spend those hours learning organization-specific EMR systems in order to participate in care during clinical rotations. Although there are multiple real-world barriers to university/health care organization training partnerships, the investment these entities share in training care providers, specifically nurses, to use and understand EMR technology encourages a question: What would be the cumulative effect of integrating a mutually agreed upon EMR system training program in to nursing classroom training on downstream hospital costs in terms of hours of direct caregiving lost, and benefits in terms of number of overall EMR trained nurses hired? In order to inform the development of a large scale study, we employed a dynamic systems modeling approach to simulate the theoretical relationships between key model variables and determine the possible effect of integrating EMR training into nursing classrooms on hospital outcomes. The analysis indicated that integrating EMR training into the nursing classroom curriculum results in more available time for nurse bedside care. Also, the simulation suggests that efficiency of clinical training can be potentially improved by centralizing EMR training within the nursing curriculum.

  19. Constructed wetland mesocosms for the treatment of diluted sugarcane molasses stillage from ethanol production using Pontederia sagittata.

    Olguín, Eugenia J; Sánchez-Galván, Gloria; González-Portela, Ricardo E; López-Vela, Melissa

    2008-08-01

    Sugarcane molasses stillage contains a very high concentration of organic matter and toxic/recalcitrant compounds. Its improper disposal has become a global problem and there is very scanty information about its treatment using phytotechnologies. This work aimed at evaluating the performance of subsurface flow constructed wetlands (SSF CWs) mesocosms planted with Pontederia sagittata and operating at two hydraulic retention times (HRTs), compared to an unplanted SSF CWs, for the treatment of diluted stillage subjected to no pre-treatment apart from an adjustment to pH 6.0. CWs were fed with very high surface COD loading rates (i.e. 47.26 and 94.83gCOD/m(2)d). The planted CWs were able to remove COD in the range of 80.24-80.62%, BOD(5) in the range of 82.20-87.31%, TKN in the range of 73.42-76.07%, nitrates from 56-58.74% and sulfates from 68.58-69.45%, depending on the HRT. Phosphate and potassium were not removed. It was concluded that this type of CWs is a feasible option for the treatment of diluted stillage.

  20. Effects of N and P enrichment on competition between phytoplankton and benthic algae in shallow lakes: a mesocosm study.

    Zhang, Xiufeng; Mei, Xueying; Gulati, Ramesh D; Liu, Zhengwen

    2015-03-01

    Competition for resources between coexisting phytoplankton and benthic algae, but with different habitats and roles in functioning of lake ecosystems, profoundly affects dynamics of shallow lakes in the process of eutrophication. An experiment was conducted to test the hypothesis that combined enrichment with nitrogen (N) and phosphorus (P) would be a greater benefit to phytoplankton than benthic algae. The growth of phytoplankton and benthic algae was measured as chlorophyll a (Chl a) in 12 shallow aquatic mesocosms supplemented with N, P, or both. We found that enrichment with N enhanced growth of benthic algae, but not phytoplankton. P enrichment had a negative effect on benthic algal growth, and no effect on the growth of phytoplankton. N+P enrichment had a negative effect on benthic algae, but enhanced the growth of phytoplankton, thus reducing the proportion of benthic algae contributing to the combined biomass of these two groups of primary producers. Thus, combined N+P enrichment is more favorable to phytoplankton in competition with benthic algae than enrichment with either N or P alone. Our study indicates that combined enrichment with N+P promotes the dominance of phytoplankton over benthic algae, with consequences for the trophic dynamics of shallow lake ecosystems.

  1. Saharan Dust Deposition Effects on the Microbial Food Web in the Eastern Mediterranean: A Study Based on a Mesocosm Experiment

    Paraskevi Pitta

    2017-05-01

    Full Text Available The effect of episodicity of Saharan dust deposition on the pelagic microbial food web was studied in the oligotrophic Eastern Mediterranean by means of a mesocosm experiment in May 2014. Two different treatments in triplicates (addition of natural Saharan dust in a single-strong pulse or in three smaller consecutive doses of the same total quantity, and three unamended controls were employed; chemical and biological parameters were measured during a 10-day experiment. Temporal changes in primary (PP and bacterial (BP production, chlorophyll a (Chl a concentration and heterotrophic bacteria, Synechococcus and mesozooplankton abundance were studied. The results suggested that the auto- and hetero-trophic components of the food web (at least the prokaryotes were enhanced by the dust addition (and by the nitrogen and phosphorus added through dust. Furthermore, a 1-day delay was observed for PP, BP, and Chl a increases when dust was added in three daily doses; however, the maximal values attained were similar in the two treatments. Although, the effect was evident in the first osmotrophic level (phytoplankton and bacteria, it was lost further up the food web, masked under the impact of grazing exerted by predators such as heterotrophic flagellates, ciliates and dinoflagellates. This was partly proved by two dilution experiments. This study demonstrates the important role of atmospheric deposition and protist grazing when evaluating the effect on oligotrophic systems characterized by increased numbers of trophic levels.

  2. A mesocosm study using four native Hawaiian plants to assess nitrogen accumulation under varying surface water nitrogen concentrations.

    Unser, C U; Bruland, G L; Hood, A; Duin, K

    2010-01-01

    Accumulation of nitrogen (N) by native Hawaiian riparian plants from surface water was measured under a controlled experimental mesocosm setting. Four species, Cladium jamaicense, Cyperus javanicus, Cyperus laevigatus, and Cyperus polystachyos were tested for their ability to survive in coconut fiber coir log media with exposure to differing N concentrations. It was hypothesized that the selected species would have significantly different tissue total nitrogen (TN) concentrations, aboveground biomass, and TN accumulation rates because of habitat preference and physiological growth differences. A general linear model (GLM) analysis of variance (ANOVA) determined that species differences accounted for the greatest proportion of variance in tissue TN concentration, aboveground biomass growth, and accumulation rates, when compared with the other main effects (i.e. N concentration, time) and their interactions. A post hoc test of means demonstrated that C. jamaicense had significantly higher tissue TN concentration, aboveground biomass growth, and accumulation rates than the other species under all N concentrations. It was also hypothesized that tissue TN concentrations and biomass growth would increase in plants exposed to elevated N concentrations, however data did not support this hypothesis. Nitrogen accumulation rates by species were controlled by differences in plant biomass growth.

  3. A comparison of the fate and effects of two pyrethroid insecticides (lambda-cyhalothrin and cypermethrin) in pond mesocosms.

    Farmer, D; Hill, I R; Maund, S J

    1995-08-01

    : The fate and effects of two pyrethroid insecticides (lambda-cyhalothrin and cypermethrin) were investigated in replicated 25 m(3) pond mesocosms. Three pesticide treatments which simulated spray drift deposition were examined: 0.7 g a.i. ha(-1) cypermethrin and 0.17 and 1.7 g a.i. ha(-1) lambda-cyhalothrin. Based on the use rate and pesticidal activity of the chemicals, the cypermethrin and lower lambda-cyhalothrin rates were approximately equivalent. After applications, pyrethroid residues in the water column declined rapidly. Treatment-related effects were observed on some macroinvertebrate taxa, most notably the Asellidae and Gammaridae. Surfacedwelling insects also suffered initial knock-down, particularly in the 1.7 g a.i. ha(-1) lambda-cyhalothrin treatment, but there was recovery after the spray period. No adverse effects occurred on algae, macrophytes or zooplankton, but there were occasional enhancements (e.g. algal biomass and abundances of copepod nauplii and Rotifera) which may have been indirect effects. An overall comparison of the treatments indicated that the higher lambda-cyhalothrin rate had the greatest effects, whilst the cypermethrin application had a somewhat greater impact than the lower lambda-cyhalothrin treatment rate (due to effects on peracarid crustaceans). The study indicated that should spray drift occur at the levels expected for either pyrethroid's normal use patterns, potential impacts on natural aquatic ecosystems would be minor and transient.

  4. Variability of pesticide exposure in a stream mesocosm system: Macrophyte-dominated vs. non-vegetated sections

    Beketov, Mikhail A. [UFZ - Helmholtz Centre for Environmental Research, Department of System Ecotoxicology, Permoserstrasse 15, D-04318 Leipzig (Germany)], E-mail: mikhail.beketov@ufz.de; Liess, Matthias [UFZ - Helmholtz Centre for Environmental Research, Department of System Ecotoxicology, Permoserstrasse 15, D-04318 Leipzig (Germany)

    2008-12-15

    For flowing water bodies no information is available about patterns of contaminant distribution in flowing water compared to macrophyte-dominated structures. The aim of the study was to examine temporal dynamic and spatial cross-channel variability of pulse exposure of the insecticide thiacloprid in outdoor stream mesocosms. Two distinct cross-channel sections have been considered: macrophyte-dominated littoral and non-vegetated midstream. Median disappearance time ranged from 17 to 43 h (water phase, midstream). We showed that during the exposure pulse (10 h) thiacloprid concentrations in the macrophyte-dominated section were 20-60% lower than those in the non-vegetated section. This suggests that spatial variability in contaminant concentrations, particularly in streams containing macrophytes, should be taken into account to enable a more realistic assessment of (i) exposure and associated effects and (ii) mass transport of pesticides and other chemicals into river systems (e.g. losses with surface runoff). - Spatial cross-channel variability of contaminant concentrations is noteworthy and important.

  5. Variability of pesticide exposure in a stream mesocosm system: Macrophyte-dominated vs. non-vegetated sections

    Beketov, Mikhail A.; Liess, Matthias

    2008-01-01

    For flowing water bodies no information is available about patterns of contaminant distribution in flowing water compared to macrophyte-dominated structures. The aim of the study was to examine temporal dynamic and spatial cross-channel variability of pulse exposure of the insecticide thiacloprid in outdoor stream mesocosms. Two distinct cross-channel sections have been considered: macrophyte-dominated littoral and non-vegetated midstream. Median disappearance time ranged from 17 to 43 h (water phase, midstream). We showed that during the exposure pulse (10 h) thiacloprid concentrations in the macrophyte-dominated section were 20-60% lower than those in the non-vegetated section. This suggests that spatial variability in contaminant concentrations, particularly in streams containing macrophytes, should be taken into account to enable a more realistic assessment of (i) exposure and associated effects and (ii) mass transport of pesticides and other chemicals into river systems (e.g. losses with surface runoff). - Spatial cross-channel variability of contaminant concentrations is noteworthy and important

  6. Marine CDOM accumulation during a coastal Arctic mesocosm experiment: No response to elevated pCO2 levels

    Pavlov, Alexey K.; Silyakova, Anna; Granskog, Mats A.; Bellerby, Richard G. J.; Engel, Anja; Schulz, Kai G.; Brussaard, Corina P. D.

    2014-06-01

    A large-scale multidisciplinary mesocosm experiment in an Arctic fjord (Kongsfjorden, Svalbard; 78°56.2'N) was used to study Arctic marine food webs and biogeochemical elements cycling at natural and elevated future carbon dioxide (CO2) levels. At the start of the experiment, marine-derived chromophoric dissolved organic matter (CDOM) dominated the CDOM pool. Thus, this experiment constituted a convenient case to study production of autochthonous CDOM, which is typically masked by high levels of CDOM of terrestrial origin in the Arctic Ocean proper. CDOM accumulated during the experiment in line with an increase in bacterial abundance; however, no response was observed to increased pCO2 levels. Changes in CDOM absorption spectral slopes indicate that bacteria were most likely responsible for the observed CDOM dynamics. Distinct absorption peaks (at 330 and 360 nm) were likely associated with mycosporine-like amino acids (MAAs). Due to the experimental setup, MAAs were produced in absence of ultraviolet exposure providing evidence for MAAs to be considered as multipurpose metabolites rather than simple photoprotective compounds. We showed that a small increase in CDOM during the experiment made it a major contributor to total absorption in a range of photosynthetically active radiation (PAR, 400-700 nm) and, therefore, is important for spectral light availability and may be important for photosynthesis and phytoplankton groups composition in a rapidly changing Arctic marine ecosystem.

  7. Assessment of temporal and spatial evolution of bacterial communities in a biological sand filter mesocosm treating winery wastewater.

    Ramond, J-B; Welz, P J; Tuffin, M I; Burton, S G; Cowan, D A

    2013-07-01

    To assess the impact of winery wastewater (WW) on biological sand filter (BSF) bacterial community structures, and to evaluate whether BSFs can constitute alternative and valuable treatment- processes to remediate WW. During 112 days, WW was used to contaminate a BSF mesocosm (length 173 cm/width 106 cm/depth 30 cm). The effect of WW on bacterial communities of four BSF microenvironments (surface/deep, inlet/outlet) was investigated using terminal-restriction fragment length polymorphism (T-RFLP). BSF achieved high Na (95·1%), complete Cl and almost complete chemical oxygen demand (COD) (98·0%) and phenolic (99·2%) removals. T-RFLP analysis combined with anosim revealed that WW significantly modified the surface and deep BSF bacterial communities. BSF provided high COD, phenolic and salt removals throughout the experiment. WW-selected bacterial communities were thus able to tolerate and/or degrade WW, suggesting that community composition does not alter BSF performances. However, biomass increased significantly in the WW-impacted surface sediments, which could later lead to system clogging and should thus be monitored. BSFs constitute alternatives to constructed wetlands to treat agri effluents such as WW. To our knowledge, this study is the first unravelling the responses of BSF bacterial communities to contamination and suggests that WW-selected BSF communities maintained high removal performances. Journal of Applied Microbiology © 2013 The Society for Applied Microbiology.

  8. Interacting effects of sulphate pollution, sulphide toxicity and eutrophication on vegetation development in fens: A mesocosm experiment

    Geurts, Jeroen J.M.; Sarneel, Judith M.; Willers, Bart J.C.; Roelofs, Jan G.M.; Verhoeven, Jos T.A.; Lamers, Leon P.M.

    2009-01-01

    Both eutrophication and SO 4 pollution can lead to higher availability of nutrients and potentially toxic compounds in wetlands. To unravel the interaction between the level of eutrophication and toxicity at species and community level, effects of SO 4 were tested in nutrient-poor and nutrient-rich fen mesocosms. Biomass production of aquatic and semi-aquatic macrophytes and colonization of the water layer increased after fertilization, leading to dominance of highly competitive species. SO 4 addition increased alkalinity and sulphide concentrations, leading to decomposition and additional eutrophication. SO 4 pollution and concomitant sulphide production considerably reduced biomass production and colonization, but macrophytes were less vulnerable in fertilized conditions. The experiment shows that competition between species, vegetation succession and terrestrialization are not only influenced by nutrient availability, but also by toxicity, which strongly interacts with the level of eutrophication. This implies that previously neutralized toxicity effects in eutrophied fens may appear after nutrient reduction measures have been taken. - Interspecific competition, vegetation succession and terrestrialization in fens depend on the interacting effects of SO 4 pollution, sulphide toxicity and nutrient availability.

  9. Interacting effects of sulphate pollution, sulphide toxicity and eutrophication on vegetation development in fens: A mesocosm experiment

    Geurts, Jeroen J.M., E-mail: j.geurts@b-ware.e [Aquatic Ecology and Environmental Biology, Institute for Wetland and Water Research, Radboud University Nijmegen, Toernooiveld 1, 6525 ED Nijmegen (Netherlands); B-WARE Research Centre, Radboud University Nijmegen, Toernooiveld 1, 6525 ED Nijmegen (Netherlands); Sarneel, Judith M. [Landscape Ecology, Institute of Environmental Biology, Utrecht University, Sorbonnelaan 16, 3584 CA Utrecht (Netherlands); Willers, Bart J.C.; Roelofs, Jan G.M. [Aquatic Ecology and Environmental Biology, Institute for Wetland and Water Research, Radboud University Nijmegen, Toernooiveld 1, 6525 ED Nijmegen (Netherlands); Verhoeven, Jos T.A. [Landscape Ecology, Institute of Environmental Biology, Utrecht University, Sorbonnelaan 16, 3584 CA Utrecht (Netherlands); Lamers, Leon P.M. [Aquatic Ecology and Environmental Biology, Institute for Wetland and Water Research, Radboud University Nijmegen, Toernooiveld 1, 6525 ED Nijmegen (Netherlands)

    2009-07-15

    Both eutrophication and SO{sub 4} pollution can lead to higher availability of nutrients and potentially toxic compounds in wetlands. To unravel the interaction between the level of eutrophication and toxicity at species and community level, effects of SO{sub 4} were tested in nutrient-poor and nutrient-rich fen mesocosms. Biomass production of aquatic and semi-aquatic macrophytes and colonization of the water layer increased after fertilization, leading to dominance of highly competitive species. SO{sub 4} addition increased alkalinity and sulphide concentrations, leading to decomposition and additional eutrophication. SO{sub 4} pollution and concomitant sulphide production considerably reduced biomass production and colonization, but macrophytes were less vulnerable in fertilized conditions. The experiment shows that competition between species, vegetation succession and terrestrialization are not only influenced by nutrient availability, but also by toxicity, which strongly interacts with the level of eutrophication. This implies that previously neutralized toxicity effects in eutrophied fens may appear after nutrient reduction measures have been taken. - Interspecific competition, vegetation succession and terrestrialization in fens depend on the interacting effects of SO{sub 4} pollution, sulphide toxicity and nutrient availability.

  10. Molecular-crystal approach to accounting of correlation corrections in the chemical bond theory in crystals: electronic structure of Ti2O3 crystal

    Ehvarestov, R.A.; Panin, A.I.

    2000-01-01

    The problem on the possibility of partial accounting for the electron correlation effects within the frames of the Hartree-Fock unlimited method (HF). The local characteristic of the electron structure of the molecular systems for the case of the multi-determinant wave functions, configurational interaction methods and multiconfigurational self-consistent field (MCSCF) are determined. The molecular-crystalline approach is applied to studies on the electron correlation effects in the Ti 2 O 3 crystal. It is shown on the basis of the [Ti 2 O 9 ] 12- cluster electron structure calculation, that the Hartree-Fock unlimited method accounts in a number of cases for an essential part of statistical correlation effects. The energy values and local characteristics of the [Ti 2 O 9 ] 12- cluster, calculated through the HF and MCSCF methods, are presented [ru

  11. Comparing the Performance of NoSQL Approaches for Managing Archetype-Based Electronic Health Record Data.

    Sergio Miranda Freire

    Full Text Available This study provides an experimental performance evaluation on population-based queries of NoSQL databases storing archetype-based Electronic Health Record (EHR data. There are few published studies regarding the performance of persistence mechanisms for systems that use multilevel modelling approaches, especially when the focus is on population-based queries. A healthcare dataset with 4.2 million records stored in a relational database (MySQL was used to generate XML and JSON documents based on the openEHR reference model. Six datasets with different sizes were created from these documents and imported into three single machine XML databases (BaseX, eXistdb and Berkeley DB XML and into a distributed NoSQL database system based on the MapReduce approach, Couchbase, deployed in different cluster configurations of 1, 2, 4, 8 and 12 machines. Population-based queries were submitted to those databases and to the original relational database. Database size and query response times are presented. The XML databases were considerably slower and required much more space than Couchbase. Overall, Couchbase had better response times than MySQL, especially for larger datasets. However, Couchbase requires indexing for each differently formulated query and the indexing time increases with the size of the datasets. The performances of the clusters with 2, 4, 8 and 12 nodes were not better than the single node cluster in relation to the query response time, but the indexing time was reduced proportionally to the number of nodes. The tested XML databases had acceptable performance for openEHR-based data in some querying use cases and small datasets, but were generally much slower than Couchbase. Couchbase also outperformed the response times of the relational database, but required more disk space and had a much longer indexing time. Systems like Couchbase are thus interesting research targets for scalable storage and querying of archetype-based EHR data when

  12. A New Approach to Sap Flow Measurement Using 3D Printed Gauges and Open-source Electronics

    Ham, J. M.; Miner, G. L.; Kluitenberg, G. J.

    2015-12-01

    A new type of sap flow gauge was developed to measure transpiration from herbaceous plants using a modified heat pulse technique. Gauges were fabricated using 3D-printing technology and low-cost electronics to keep the materials cost under $20 (U.S.) per sensor. Each gauge consisted of small-diameter needle probes fastened to a 3D-printed frame. One needle contained a resistance heater to provide a 6 to 8 second heat pulse while the other probes measured the resultant temperature increase at two distances from the heat source. The data acquisition system for the gauges was built from a low-cost Arduino microcontroller. The system read the gauges every 10 minutes and stored the results on a SD card. Different numerical techniques were evaluated for estimating sap velocity from the heat pulse data - including analytical solutions and parameter estimation approaches . Prototype gauges were tested in the greenhouse on containerized corn and sunflower. Sap velocities measured by the gauges were compared to independent gravimetric measurements of whole plant transpiration. Results showed the system could measure daily transpiration to within 3% of the gravimetric measurements. Excellent agreement was observed when two gauges were attached the same stem. Accuracy was not affected by rapidly changing transpiration rates observed under partly cloudy conditions. The gauge-based estimates of stem thermal properties suggested the system may also detect the onset of water stress. A field study showed the gauges could run for 1 to 2 weeks on a small battery pack. Sap flow measurements on multiple corn stems were scaled up by population to estimate field-scale transpiration. During full canopy cover, excellent agreement was observed between the scaled-up sap flow measurements and reference crop evapotranspiration calculated from weather data. Data also showed promise as a way to estimate real-time canopy resistance required for model verification and development. Given the low

  13. Labeling surface epitopes to identify Cryptosporidium life stages using a scanning electron microscopy-based immunogold approach.

    Edwards, Hanna; Thompson, R C Andrew; Koh, Wan H; Clode, Peta L

    2012-02-01

    The Apicomplexan parasite Cryptosporidium parvum is responsible for the widespread disease cryptosporidiosis, in both humans and livestock. The nature of C. parvum infection is far from understood and many questions remain in regard to host-parasite interactions, limiting successful treatment of the disease. To definitively identify a range of C. parvum stages in cell culture and to begin to investigate host cell interactions in some of the lesser known life stages, we have utilized a combined scanning electron microscopy and immunolabeling approach, correlating high resolution microstructural information with definitive immunogold labeling of Cryptosporidium stages. Several life cycle stages, including oocysts, merozoites I, trophozoites, gamonts and microgametocytes, were successfully immunolabeled in an in vitro model system. Developing oocysts were clearly immunolabeled, but this did not persist once excystation had occurred. Immunolabeling visualized on the host cell surface adjacent to invasive merozoites is likely to be indicative of receptor shedding, with merozoites also initiating host responses that manifested as abnormal microvilli on the host cell surface. Small sub-micron stages such as microgametocytes, which were impossible to identify as single entities without immunolabeling, were readily visualized and observed to attach to host cells via novel membranous projections. Epicellular parasites also expressed Cryptosporidium-derived epitopes within their encapsulating membrane. These data have allowed us to confidently identify a variety of C. parvum stages in cell culture at high resolution. With this, we provide new insight into C. parvum - host cell interactions and highlight future opportunities for investigating and targeting receptor-mediated interactions between Cryptosporidium life cycle stages and host cells. Copyright © 2011 Elsevier Ltd. All rights reserved.

  14. Examining database persistence of ISO/EN 13606 standardized electronic health record extracts: relational vs. NoSQL approaches.

    Sánchez-de-Madariaga, Ricardo; Muñoz, Adolfo; Lozano-Rubí, Raimundo; Serrano-Balazote, Pablo; Castro, Antonio L; Moreno, Oscar; Pascual, Mario

    2017-08-18

    The objective of this research is to compare the relational and non-relational (NoSQL) database systems approaches in order to store, recover, query and persist standardized medical information in the form of ISO/EN 13606 normalized Electronic Health Record XML extracts, both in isolation and concurrently. NoSQL database systems have recently attracted much attention, but few studies in the literature address their direct comparison with relational databases when applied to build the persistence layer of a standardized medical information system. One relational and two NoSQL databases (one document-based and one native XML database) of three different sizes have been created in order to evaluate and compare the response times (algorithmic complexity) of six different complexity growing queries, which have been performed on them. Similar appropriate results available in the literature have also been considered. Relational and non-relational NoSQL database systems show almost linear algorithmic complexity query execution. However, they show very different linear slopes, the former being much steeper than the two latter. Document-based NoSQL databases perform better in concurrency than in isolation, and also better than relational databases in concurrency. Non-relational NoSQL databases seem to be more appropriate than standard relational SQL databases when database size is extremely high (secondary use, research applications). Document-based NoSQL databases perform in general better than native XML NoSQL databases. EHR extracts visualization and edition are also document-based tasks more appropriate to NoSQL database systems. However, the appropriate database solution much depends on each particular situation and specific problem.

  15. Strongly correlated electrons at high pressure: an approach by inelastic X-Ray scattering; Electrons correles sous haute pression: une approche par diffusion inelastique des rayons X

    Rueff, J.P

    2007-06-15

    Inelastic X-ray scattering (IXS) and associated methods has turn out to be a powerful alternative for high-pressure physics. It is an all-photon technique fully compatible with high-pressure environments and applicable to a vast range of materials. Standard focalization of X-ray in the range of 100 microns is typical of the sample size in the pressure cell. Our main aim is to provide an overview of experimental results obtained by IXS under high pressure in 2 classes of materials which have been at the origin of the renewal of condensed matter physics: strongly correlated transition metal oxides and rare-earth compounds. Under pressure, d and f-electron materials show behaviors far more complex that what would be expected from a simplistic band picture of electron delocalization. These spectroscopic studies have revealed unusual phenomena in the electronic degrees of freedom, brought up by the increased density, the changes in the charge-carrier concentration, the over-lapping between orbitals, and hybridization under high pressure conditions. Particularly we discuss about pressure induced magnetic collapse and metal-insulator transitions in 3d compounds and valence fluctuations phenomena in 4f and 5f compounds. Thanks to its superior penetration depth, chemical selectivity and resonant enhancement, resonant inelastic X-ray scattering has appeared extremely well suited to high pressure physics in strongly correlated materials. (A.C.)

  16. Ab-initio crystal structure analysis and refinement approaches of oligo p-benzamides based on electron diffraction data

    Gorelik, Tatiana E; van de Streek, Jacco; Kilbinger, Andreas F M

    2012-01-01

    Ab-initio crystal structure analysis of organic materials from electron diffraction data is presented. The data were collected using the automated electron diffraction tomography (ADT) technique. The structure solution and refinement route is first validated on the basis of the known crystal stru...

  17. Response and recovery of the macrophytes Elodea canadensis and Myriophyllum spicatum following a pulse exposure to the herbicide iofensulfuron-sodium in outdoor stream mesocosms.

    Wieczorek, Matthias V; Bakanov, Nikita; Lagadic, Laurent; Bruns, Eric; Schulz, Ralf

    2017-04-01

    Interest in stream mesocosms has recently revived for higher tier aquatic macrophyte risk assessment of plant protection products mainly because 1) the highest predicted environmental concentrations for the assessment of effects are frequently derived from stream scenarios, and 2) they allow an effect assessment using stream-typical pulse exposures. Therefore, the present stream mesocosm study used an herbicide pulse exposure and evaluated the responses of Elodea canadensis and Myriophyllum spicatum. Macrophytes were exposed for 24 h to 1 μg/L, 3 μg/L, 10 μg/L, and 30 μg/L of the herbicide iofensulfuron-sodium with a subsequent recovery period of 42 d. Biological endpoints were growth rates of the main, side, and total shoot length, the shoot number, the maximum root length, and the dry weight. The total shoot length was identified as the most sensitive endpoint; the growth rate of the total shoot length was inhibited by up to 66% and 45% in M. spicatum and E. canadensis, respectively. The lowest no observed effect concentrations (NOECs) were observed at day 7 and/or day 14 after herbicide treatment and were 1 μg/L for M. spicatum and 3 μg/L for E. canadensis. The no-observed-ecologically-adverse-effect concentrations (NOEAECs) were 10 μg/L and 30 μg/L for M. spicatum and E. canadensis, respectively. Such or similar mesocosm designs are useful to simulate typical stream exposures and estimate herbicide effects on aquatic macrophytes in stream systems. Environ Toxicol Chem 2017;36:1090-1100. © 2016 SETAC. © 2016 SETAC.

  18. Effects of aeration and natural zeolite on ammonium removal during the treatment of sewage by mesocosm-scale constructed wetlands.

    Araya, F; Vera, I; Sáez, K; Vidal, G

    2016-01-01

    The objective was to evaluate the effects of intermittent artificial aeration cycles and natural zeolite as a support medium, in addition to the contribution of plants (Schoenoplectus californicus) on NH4(+)-N removal during sewage treatment by Constructed Wetlands (CW). Two lines of Mesocosm Constructed Wetland (MCW) were installed: (a) gravel line (i.e. G-Line) and (b) zeolite line (i.e. Z-Line). Aeration increased the NH4(+)-N removal efficiency by 20-45% in the G-Line. Natural zeolite increased the NH4(+)-N removal efficiency by up to 60% in the Z-Line. Plants contributed 15-30% of the NH4(+)-N removal efficiency and no difference between the G-Line and the Z-Line. Conversely, the NH4(+)-N removal rate was shown to only increase with the use of natural zeolite. However, the MCW with natural zeolite, the NH4(+)-N removal rate showed a direct relationship only with the NH4(+)-N influent concentration. Additionally, relationship between the oxygen, energy and area regarding the NH4(+)-N removal efficiency was established for 2.5-12.5 gO2/(kWh-m(2)) in the G-Line and 0.1-2.6 gO2/(kWh-m(2)) in the Z-Line. Finally, it was established that a combination of natural zeolite as a support medium and the aeration strategy in a single CW could regenerate the zeolite's adsorption sites and maintain a given NH4(+)-N removal efficiency over time.

  19. Dynamics of phosphorus and bacterial phoX genes during the decomposition of Microcystis blooms in a mesocosm.

    Jiangyu Dai

    Full Text Available Cyanobacterial blooms are a worldwide environmental problem and frequently occur in eutrophic lakes. Organophosphorus mineralization regulated by microbial alkaline phosphatase provides available nutrients for bloom regeneration. To uncover the dynamics of bacterial alkaline phosphatase activity and microbial backgrounds in relation to organophosphorus mineralization during the decomposition process of cyanobacterial blooms, the response of alkaline phosphatase PhoX-producing bacteria were explored using a 23-day mesocosm experiment with three varying densities of Microcystis biomass from eutrophic Lake Taihu. Our study found large amounts of soluble reactive phosphorus and dissolved organophosphorus were released into the lake water during the decomposition process. Bacterial alkaline phosphatase activity showed the peak values during days 5~7 in groups with different chlorophyll-a densities, and then all decreased dramatically to their initial experimental levels during the last stage of decomposition. Bacterial phoX abundances in the three experimental groups increased significantly along with the decomposition process, positively related to the dissolved organic carbon and organophosphorus released by the Microcystis blooms. The genotypes similar to the phoX genes of Alphaproteobacteria were dominant in all groups, whereas the genotypes most similar to the phoX genes of Betaproteobacteria and Cyanobacteria were also abundant in the low density (~15 μg L-1 chlorophyll-a group. At the end of the decomposition process, the number of genotypes most similar to the phoX of Betaproteobacteria and Cyanobacteria increased in the medium (~150 μg L-1 chlorophyll-a and high (~1500 μg L-1 chlorophyll-a density groups. The released organophosphorus and increased bacterial phoX abundance after decomposition of Microcystis aggregates could potentially provide sufficient nutrients and biological conditions for algal proliferation and are probably related

  20. Coupling of heterotrophic bacteria to phytoplankton bloom development at different pCO2 levels: a mesocosm study

    R. Thyrhaug

    2008-07-01

    Full Text Available The predicted rise in anthropogenic CO2 emissions will increase CO2 concentrations and decrease seawater pH in the upper ocean. Recent studies have revealed effects of pCO2 induced changes in seawater chemistry on a variety of marine life forms, in particular calcifying organisms. To test whether the predicted increase in pCO2 will directly or indirectly (via changes in phytoplankton dynamics affect abundance, activities, and community composition of heterotrophic bacteria during phytoplankton bloom development, we have aerated mesocosms with CO2 to obtain triplicates with three different partial pressures of CO2 (pCO2: 350 μatm (1×CO2, 700 μatm (2×CO2 and 1050 μatm (3×CO2. The development of a phytoplankton bloom was initiated by the addition of nitrate and phosphate. In accordance to an elevated carbon to nitrogen drawdown at increasing pCO2, bacterial production (BPP of free-living and attached bacteria as well as cell-specific BPP (csBPP of attached bacteria were related to the C:N ratio of suspended matter. These relationships significantly differed among treatments. However, bacterial abundance and activities were not statistically different among treatments. Solely community structure of free-living bacteria changed with pCO2 whereas that of attached bacteria seemed to be independent of pCO2 but tightly coupled to phytoplankton bloom development. Our findings imply that changes in pCO2, although reflected by changes in community structure of free-living bacteria, do not directly affect bacterial activity. Furthermore, bacterial activity and dynamics of heterotrophic bacteria, especially of attached bacteria, were tightly correlated to phytoplankton development and, hence, may also potentially depend on changes in pCO2.