WorldWideScience

Sample records for ozone-surface interactions investigations

  1. Ozone-surface interactions: Investigations of mechanisms, kinetics, mass transport, and implications for indoor air quality

    Energy Technology Data Exchange (ETDEWEB)

    Morrison, Glenn Charles [Univ. of California, Berkeley, CA (United States)

    1999-12-01

    In this dissertation, results are presented of laboratory investigations and mathematical modeling efforts designed to better understand the interactions of ozone with surfaces. In the laboratory, carpet and duct materials were exposed to ozone and measured ozone uptake kinetics and the ozone induced emissions of volatile organic compounds. To understand the results of the experiments, mathematical methods were developed to describe dynamic indoor aldehyde concentrations, mass transport of reactive species to smooth surfaces, the equivalent reaction probability of whole carpet due to the surface reactivity of fibers and carpet backing, and ozone aging of surfaces. Carpets, separated carpet fibers, and separated carpet backing all tended to release aldehydes when exposed to ozone. Secondary emissions were mostly n-nonanal and several other smaller aldehydes. The pattern of emissions suggested that vegetable oils may be precursors for these oxidized emissions. Several possible precursors and experiments in which linseed and tung oils were tested for their secondary emission potential were discussed. Dynamic emission rates of 2-nonenal from a residential carpet may indicate that intermediate species in the oxidation of conjugated olefins can significantly delay aldehyde emissions and act as reservoir for these compounds. The ozone induced emission rate of 2-nonenal, a very odorous compound, can result in odorous indoor concentrations for several years. Surface ozone reactivity is a key parameter in determining the flux of ozone to a surface, is parameterized by the reaction probability, which is simply the probability that an ozone molecule will be irreversibly consumed when it strikes a surface. In laboratory studies of two residential and two commercial carpets, the ozone reaction probability for carpet fibers, carpet backing and the equivalent reaction probability for whole carpet were determined. Typically reaction probability values for these materials were 10

  2. Investigating Molecular Interactions

    DEFF Research Database (Denmark)

    Clausen, Henrik Fanø

    2010-01-01

    ···π interactions are accommodated by electrostatic complementarity. The crystal structure of both the α- and the β-polymorph of hydroquinone is presented in Chapter 6 with focus on close intermolecular contacts between the molecules via Hirshfeld surface analysis. The charge density distribution of the empty β....... The last chapter of this dissertation presents the analysis of intermolecular interaction using both the Hirshfeld surface and charge density distribution of the acetonitrile β-hydroquinone clathrate. The local packing and related close contacts are examined by breakdown of the fingerprint plots revealing......, are also introduced, as a goal of the analysis of charge density distributions is to obtain further understanding of these macroscopic properties. Neutron diffraction will be used as a complementary tool to the X-ray diffraction experiment, as positional and thermal parameters of hydrogen atoms can...

  3. Interactive investigations into planetary interiors

    Science.gov (United States)

    Rose, I.

    2015-12-01

    Many processes in Earth science are difficult to observe or visualize due to the large timescales and lengthscales over which they operate. The dynamics of planetary mantles are particularly challenging as we cannot even look at the rocks involved. As a result, much teaching material on mantle dynamics relies on static images and cartoons, many of which are decades old. Recent improvements in computing power and technology (largely driven by game and web development) have allowed for advances in real-time physics simulations and visualizations, but these have been slow to affect Earth science education.Here I demonstrate a teaching tool for mantle convection and seismology which solves the equations for conservation of mass, momentum, and energy in real time, allowing users make changes to the simulation and immediately see the effects. The user can ask and answer questions about what happens when they add heat in one place, or take it away from another place, or increase the temperature at the base of the mantle. They can also pause the simulation, and while it is paused, create and visualize seismic waves traveling through the mantle. These allow for investigations into and discussions about plate tectonics, earthquakes, hot spot volcanism, and planetary cooling.The simulation is rendered to the screen using OpenGL, and is cross-platform. It can be run as a native application for maximum performance, but it can also be embedded in a web browser for easy deployment and portability.

  4. Interacting With Robots to Investigate the Bases of Social Interaction.

    Science.gov (United States)

    Sciutti, Alessandra; Sandini, Giulio

    2017-12-01

    Humans show a great natural ability at interacting with each other. Such efficiency in joint actions depends on a synergy between planned collaboration and emergent coordination, a subconscious mechanism based on a tight link between action execution and perception. This link supports phenomena as mutual adaptation, synchronization, and anticipation, which cut drastically the delays in the interaction and the need of complex verbal instructions and result in the establishment of joint intentions, the backbone of social interaction. From a neurophysiological perspective, this is possible, because the same neural system supporting action execution is responsible of the understanding and the anticipation of the observed action of others. Defining which human motion features allow for such emergent coordination with another agent would be crucial to establish more natural and efficient interaction paradigms with artificial devices, ranging from assistive and rehabilitative technology to companion robots. However, investigating the behavioral and neural mechanisms supporting natural interaction poses substantial problems. In particular, the unconscious processes at the basis of emergent coordination (e.g., unintentional movements or gazing) are very difficult-if not impossible-to restrain or control in a quantitative way for a human agent. Moreover, during an interaction, participants influence each other continuously in a complex way, resulting in behaviors that go beyond experimental control. In this paper, we propose robotics technology as a potential solution to this methodological problem. Robots indeed can establish an interaction with a human partner, contingently reacting to his actions without losing the controllability of the experiment or the naturalness of the interactive scenario. A robot could represent an "interactive probe" to assess the sensory and motor mechanisms underlying human-human interaction. We discuss this proposal with examples from our

  5. Experimental investigation on particle-wall interactions

    International Nuclear Information System (INIS)

    Zeisel, H.; Dorfner, V.

    1988-01-01

    There is still a lack in the knowledge about many physical processes in two-phase flows and therefore their mathematical description for the modelling of two-phase flows by computer simulations still needs some improvement. One required information is the physical procedure of the momentum transfer between the phases themselves, such as particle-particle or particle-fluid interactions, and between the phases and the flow boundaries, such as particle-wall or fluid-wall interactions. The interaction between the two phases can be either a 'long-range' interference or a direct contact between both. For the particle-fluid two-phase flow system the interaction can be devided in particle-fluid, particle-particle and particle-boundary interactions. In this investigation the attention is drawn to the special case of a particle-wall interaction and its 'long-range' interference effect between the wall and a small particle which approaches the wall in normal direction. (orig./GL)

  6. Investigation of Dendrimer-Membrane Interactions

    Science.gov (United States)

    Mecke, Almut; Hessler, Jessica; Lee, Inhan; Banaszak Holl, Mark; Orr, Bradford; Patri, Anil K.; Baker, J. R.

    2003-03-01

    Modified Polyamidoamine (PAMAM) dendrimers show great promise as targeted drug transport agents. Current research efforts point to the possibility of dramatic improvements to conventional chemotherapy by selectively delivering a therapeutic to antigen bearing tumor cells. In order to better understand the uptake mechanism of such devices into cells we are investigating dendrimer-surface adsorption and dendrimer-membrane interactions using atomic force microscopy, light scattering and computer simulations. Model systems consisting of supported DMPC lipid bilayers have shown interesting results suggesting the shape and architecture of nano-devices play an important role for their biologic activity. We are also investigating the effect of targeted drug vehicles on cells in vitro.

  7. A simple UV-ozone surface treatment to enhance photocatalytic performance of TiO 2 loaded polymer nanofiber membranes

    KAUST Repository

    Dilpazir, S.

    2016-01-29

    Homogeneously dispersed titanium dioxide loaded polyacrylonitrile nanofiber membranes with increased active mass loading, Ti3+ surface defects and hydrophilicity were fabricated by combining electrospinning and UV-ozone surface treatment. The photocatalytic activity improved by a factor of ∼2 and the kinetics of photodegradation switched from pseudo-first order to pseudo-second order with increasing TiO2 content with a maximum rate constant of 20.7 h-1. © The Royal Society of Chemistry 2016.

  8. Ozone-surface reactions in five homes: surface reaction probabilities, aldehyde yields, and trends.

    Science.gov (United States)

    Wang, H; Morrison, G

    2010-06-01

    Field experiments were conducted in five homes during three seasons (summer 2005, summer 2006 and winter 2007) to quantify ozone-initiated secondary aldehyde yields, surface reaction probabilities, and trends any temporal over a 1.5-year interval. Surfaces examined include living room carpets, bedroom carpets, kitchen floors, kitchen counters, and living room walls. Reaction probabilities for all surfaces for all seasons ranged from 9.4 x 10(-8) to 1.0 x 10(-4). There were no significant temporal trends in reaction probabilities for any surfaces from summer 2005 to summer 2006, nor over the entire 1.5-year period, indicating that it may take significantly longer than this period for surfaces to exhibit any 'ozone aging' or lowering of ozone-surface reactivity. However, all surfaces in three houses exhibited a significant decrease in reaction probabilities from summer 2006 to winter 2007. The total yield of aldehydes for the summer of 2005 were nearly identical to that for summer of 2006, but were significantly higher than for winter 2007. We also observed that older carpets were consistently less reactive than in newer carpets, but that countertops remained consistently reactive, probably because of occupant activities such as cooking and cleaning. Ozone reactions taking place at indoor surfaces significantly influence personal exposure to ozone and volatile reaction products. These field studies show that indoor surfaces only slowly lose their ability to react with ozone over several year time frames, and that this is probably because of a combination of large reservoirs of reactive coatings and periodic additions of reactive coatings in the form of cooking, cleaning, and skin-oil residues. When considering exposure to ozone and its reaction products and in the absence of dramatic changes in occupancy, activities or furnishings, indoor surface reactivity is expected to change very slowly.

  9. Investigation of nanodiamonds interactions in canine blood

    Science.gov (United States)

    WÄ sowicz, Michał; Marek, Kulka; Cićkiewicz, Maciej; Cymerman, Magdalena

    2017-02-01

    The whole blood contains red cells, white cells, and platelets suspended in plasma. In the following study we investigated an impact of nanodiamond particles on blood elements over various periods of time.The material used in the study consisted of samples taken from ten healthy canines (Canis lupus f. domestica) of various age, different blood types and both sexes. The markings were conducted by adding to the blood unmodified diamonds (SND), modified O2 (SO2) suspended in 0,9% NaCl. The blood was put under an impact of two diamond concentrations: 20μl and 100μl. The amount of abnormal cells increased with time. The percentage of echinocytes as a result of interaction with nanodiamonds in various time periods for individual specimens was scarce. In the examined microscopic image a summary was made for 100 white blood cells. Following cells were included in said group: band neutrophils, segmented neutrophils, eosinophils, basophils, lymphocytes, monocytes, lymphocytes with granulates, stimulated lymphocytes, lymphocytes with vacuoles, metamielocytes and smudge cells. The impact of the three diamond types had no clinical importance on red blood cells. After the diamonds mixed with white blood cells, atypical cells came into being, in the range of agranulocytes in stimulated form or with granulates and/or vacuoles. It is supposed that as a result of longlasting exposure a stimulation and vacuolisation takes place, because of the function of the cells.

  10. Experimental investigation of shock wave - bubble interaction

    Energy Technology Data Exchange (ETDEWEB)

    Alizadeh, Mohsen

    2010-04-09

    In this work, the dynamics of laser-generated single cavitation bubbles exposed to lithotripter shock waves has been investigated experimentally. The energy of the impinging shock wave is varied in several steps. High-speed photography and pressure field measurements simultaneously with image acquisition provide the possibility of capturing the fast bubble dynamics under the effect of the shock wave impact. The pressure measurement is performed using a fiber optic probe hydrophone (FOPH) which operates based on optical diagnostics of the shock wave propagating medium. After a short introduction in chapter 1 an overview of the previous studies in chapter 2 is presented. The reported literatures include theoretical and experimental investigations of several configurations of physical problems in the field of bubble dynamics. In chapter 3 a theoretical description of propagation of a shock wave in a liquid like water has been discussed. Different kinds of reflection of a shock wave at an interface are taken into account. Undisturbed bubble dynamics as well as interaction between a planar shock wave and an initially spherical bubble are explored theoretically. Some physical parameters which are important in this issue such as the velocity of the shock-induced liquid jet, Kelvin impulse and kinetic energy are explained. The shock waves are generated in a water filled container by a focusing piezoelectric generator. The shock wave profile has a positive part with pulse duration of ∼1 μs followed by a longer tension tail (i.e. ∼3 μs). In chapter 4 high-speed images depict the propagation of a shock wave in the water filled tank. The maximum pressure is also derived for different intensity levels of the shock wave generator. The measurement is performed in the free field (i.e. in the absence of laser-generated single bubbles). In chapter 5 the interaction between lithotripter shock waves and laserinduced single cavitation bubbles is investigated experimentally. An

  11. Investigation on particle-solid interactions

    International Nuclear Information System (INIS)

    Yano, Syukuro

    1988-08-01

    Basic processes in plasma-material interactions have been surveyed and reviewed. Problems concerned with carbon materials, which have been progressively used for the first wall and limiters in Tokamaks, are mainly discussed. Recent usage of carbon materials, basic properties and characteristics of carbon/graphite materials, desorption of gasses are described. As to the interactions of incident hydrogen isotope particles with graphite surface, data of trapping, depth profile, reemission, isotope exchange, and diffusion are reviewed and discussed. (author)

  12. Fluid-structure interaction investigations for pipelines

    International Nuclear Information System (INIS)

    Altstadt, E.; Carl, H.; Weiss, R.

    2003-12-01

    In existing Nuclear Power Plants water hammers can occur in case of an inflow of sub-cooled water into pipes or other parts of the equipment, which are filled with steam or steam-water mixture. They also may appear as the consequence of fast valve closing or opening actions or of breaks in pipelines, with single phase or two-phase flow. In the latter case, shock waves in two-phase flow must be expected. In all cases, strong dynamic stresses are induced in the wall of the equipment. Further, the change of the momentum of the liquid motion and the deformation of the component due to the dynamic stresses generate high loads on the support structures of the component, in which the water hammer respectively the shock wave occurs. The influence of the fluid-structure interaction on the magnitude of the loads on pipe walls and support structures is not yet completely understood. In case of a dynamic load caused by a pressure wave, the stresses in pipe walls, especially in bends, are different from the static case. The propagating pressure wave may cause additional non-symmetric deformations which increase the equivalent stresses in comparison to the symmetric load created by a static inner pressure. On the other hand, fluid-structure interaction causes the structure to deform, which leads to a decrease of the resulting stresses. The lack of experimental data obtained at well defined geometric boundary conditions is a significant obstacle for the validation of codes which consider fluid-structure interaction. Furthermore, up to now the feedback from structural deformations to the fluid mechanics has not been fully implemented in existing calculation software codes. Therefore, at FZR a cold water hammer test facility (CWHTF) was designed and built up. (orig.)

  13. Investigations of interactions mediated by neutral currents

    International Nuclear Information System (INIS)

    Witek, M.

    2007-03-01

    The report is devoted to four-fermion interactions mediated by the neutral currents. The results from the second phase of LEP are presented, when the production of two massive bosons was possible with the increased energy of the e + e - collisions. It enabled for a direct test of nonabelian structure of the electroweak theory. The results concern the four-fermion production of the pairs of the ZZ bosons, single Z and Zγ * production as well as search for anomalous gauge bosons couplings. The large part of the report is devoted to experimental techniques, physics analyses and discussion of results. (author)

  14. Investigation of beryllium/steam interaction

    Energy Technology Data Exchange (ETDEWEB)

    Chekhonadskikh, A.M.; Vurim, A.D.; Vasilyev, Yu.S.; Pivovarov, O.S. [Inst. of Atomic Energy National Nuclear Center of the Republic of Kazakstan Semipalatinsk (Kazakhstan); Shestakov, V.P.; Tazhibayeva, I.L.

    1998-01-01

    In this report program on investigations of beryllium emissivity and transient processes on overheated beryllium surface attacked by water steam to be carried out in IAE NNC RK within Task S81 TT 2096-07-16 FR. The experimental facility design is elaborated in this Report. (author)

  15. Investigation of molybdenum pentachloride interaction with chlorine

    International Nuclear Information System (INIS)

    Salyulev, A.B.; Vovkotrub, Eh.G.; Strekalovskij, V.N.

    1993-01-01

    In Raman spectra of molybdenum pentachloride solutions in liquid chlorine lines were recorded in case of 397, 312, 410, 217 and 180 cm - 1 vibrations of ν 1 (A 1 '), ν 2 (A 1 '), ν 5 (E'), ν 6 (E') and ν 8 (E'') monomer (symmetry D 3h ) molecules of MoCl 5 . Interaction of molten molybdenum pentachloride with chlorine at increased (up to 6 MPa) pressures of Cl 2 was studied. In Raman spectra of its vapour distillation in liquid chlorine alongside with MoCl 5 lines appearance of new lines at 363 and 272 cm -1 , similar in their frequency to the ones calculated for the vibrations ν 1 (A 1g ) and ν 2 (E g ) of MoCl 6 molecules (symmetry O h ), was observed

  16. Proceedings of 4 conference on hyperfine interaction spectroscopic investigations

    International Nuclear Information System (INIS)

    Shpinel', V.S.

    1992-01-01

    Results of theoretical and experimental investigations on nuclear-spectroscopy of hyperfine interactions are presented. Possibility of the data use for technological and materials sceince problems is demonstrated

  17. Investigation of the ion beryllium surface interaction

    International Nuclear Information System (INIS)

    Guseva, M.I.; Birukov, A.Yu.; Gureev, V.M.

    1995-01-01

    The self -sputtering yield of the Be was measured. The energy dependence of the Be self-sputtering yield agrees well with that calculated by W. Eckstein et. al. Below 770 K the self-sputtering yield is temperature independent; at T irr .> 870 K it increases sharply. Hot-pressed samples at 370 K were implanted with monoenergetic 5 keV hydrogen ions and with a stationary plasma (flux power ∼ 5 MW/m 2 ). The investigation of hydrogen behavior in beryllium shows that at low doses hydrogen is solved, but at doses ≥ 5x10 22 m -2 the bubbles and channels are formed. It results in hydrogen profile shift to the surface and decrease of its concentration. The sputtering results in further concentration decrease at doses > 10 25 m -2

  18. Investigating physics learning with layered student interaction networks

    DEFF Research Database (Denmark)

    Bruun, Jesper; Traxler, Adrienne

    Centrality in student interaction networks (SINs) can be linked to variables like grades [1], persistence [2], and participation [3]. Recent efforts in the field of network science have been done to investigate layered - or multiplex - networks as mathematical objects [4]. These networks can be e......, this study investigates how target entropy [5,1] and pagerank [6,7] are affected when we take time and modes of interaction into account. We present our preliminary models and results and outline our future work in this area....

  19. Diffraction stress analysis of thin films; investigating elastic grain interaction

    International Nuclear Information System (INIS)

    Kumar, A.

    2005-12-01

    This work is dedicated to the investigation of specimens exhibiting anisotropic microstructures (and thus macroscopic elastic anisotropy) and/or inhomogeneous microstructures, as met near surfaces and in textured materials. The following aspects are covered: (i) Analysis of specimens with direction-dependent (anisotropic) elastic grain-interaction. Elastic grain-interaction determines the distribution of stresses and strains over the (crystallographically) differently oriented grains of a mechanically stressed polycrystal and the mechanical and diffraction (X-ray) elastic constants (relating (diffraction) lattice strains to mechanical stresses). Grain interaction models that allow for anisotropic, direction-dependent grain interaction have been developed very recently. The notion 'direction-dependent' grain-interaction signifies that different grain-interaction constraints prevail along different directions in a specimen. Practical examples of direction-dependent grain interaction are the occurrence of surface anisotropy in thin films and the surface regions of bulk polycrystals and the occurrence of grain-shape (morphological) texture. In this work, for the first time, stress analyses of thin films have been performed on the basis of these newly developed grain-interaction models. It has also been demonstrated that the identification of the (dominant) source of direction-dependent grain interaction is possible. The results for the grain interaction have been discussed in the light of microstructural investigations of the specimens by microscopic techniques. (ii) Analysis of specimens with depth gradients: Diffraction stress analysis can be hindered if gradients of the stress state, the composition or the microstructure occur in the specimen under investigation, as the so-called information depth varies in the course of a traditional stress measurement: Ambiguous results are thus generally obtained. In this work, a strategy for stress measurements at fixed

  20. Investigating the interactions of the enantiomers of phenylglycine ...

    Indian Academy of Sciences (India)

    In this study, molecular dynamics simulation has been used to investigate the interactions of both chiral forms of ... about two orders of magnitude less than that in free water. Keywords. ... acids, peptides, drugs, and proteins with the surfaces of inorganic .... and energy parameters, qi and qj are the atomic point charges ...

  1. A preliminary investigation into genotype x environment interaction ...

    African Journals Online (AJOL)

    The purpose of the study was to investigate a possible genotype by environment interaction in first calf South African Holstein cows for both production and reproduction traits. Data from 100 975 cows on a total mixed ration (TMR) and 22 083 pasture based cows were used. These cows were the progeny of 4 391 sires and ...

  2. Scanning probe and optical tweezer investigations of biomolecular interactions

    International Nuclear Information System (INIS)

    Rigby-Singleton, Shellie

    2002-01-01

    A complex array of intermolecular forces controls the interactions between and within biological molecules. The desire to empirically explore the fundamental forces has led to the development of several biophysical techniques. Of these, the atomic force microscope (AFM) and the optical tweezers have been employed throughout this thesis to monitor the intermolecular forces involved in biomolecular interactions. The AFM is a well-established force sensing technique capable of measuring biomolecular interactions at a single molecule level. However, its versatility has not been extrapolated to the investigation of a drug-enzyme complex. The energy landscape for the force induced dissociation of the DHFR-methotrexate complex was studied. Revealing an energy barrier to dissociation located ∼0.3 nm from the bound state. Unfortunately, the AFM has a limited range of accessible loading rates and in order to profile the complete energy landscape alternative force sensing instrumentation should be considered, for example the BFP and optical tweezers. Thus, this thesis outlines the development and construction an optical trap capable of measuring intermolecular forces between biomolecules at the single molecule level. To demonstrate the force sensing abilities of the optical set up, proof of principle measurements were performed which investigate the interactions between proteins and polymer surfaces subjected to varying degrees of argon plasma treatment. Complementary data was gained from measurements performed independently by the AFM. Changes in polymer resistance to proteins as a response to changes in polymer surface chemistry were detected utilising both AFM and optical tweezers measurements. Finally, the AFM and optical tweezers were employed as ultrasensitive biosensors. Single molecule investigations of the antibody-antigen interaction between the cardiac troponin I marker and its complementary antibody, reveals the impact therapeutic concentrations of heparin have

  3. Experimental investigations and modelling of sodium-concrete interaction

    International Nuclear Information System (INIS)

    Schultheiss, G.F.; Deeg, H.J.

    1990-01-01

    The use of sodium as a coolant in liquid metal fast breeder reactors, fusion reactors, and solar plants requires special consideration of its chemical reactivity and related safety problems in the case of sodium leckage. On contact between hot sodium and concrete an interaction takes place resulting in energy release and hydrogen generation, which may contribute to containment loading by pressurization in a hypothetical accident situation. For this reason, sodium-concrete interactions were investigated experimentally and theoretically. The experiments revealed important effects of quartzitic material within the concrete and of the sodium temperature on the interaction mechanisms, the energy release and the consequent hydrogen production. The numerical model shows good agreement with the experimental results. (orig.) [de

  4. Investigating the association between social interactions and personality states dynamics.

    Science.gov (United States)

    Gundogdu, Didem; Finnerty, Ailbhe N; Staiano, Jacopo; Teso, Stefano; Passerini, Andrea; Pianesi, Fabio; Lepri, Bruno

    2017-09-01

    The recent personality psychology literature has coined the name of personality states to refer to states having the same behavioural, affective and cognitive content (described by adjectives) as the corresponding trait, but for a shorter duration. The variability in personality states may be the reaction to specific characteristics of situations. The aim of our study is to investigate whether specific situational factors, that is, different configurations of face-to-face interactions, are predictors of variability of personality states in a work environment. The obtained results provide evidence that within-person variability in personality is associated with variation in face-to-face interactions. Interestingly, the effects differ by type and level of the personality states: adaptation effects for Agreeableness and Emotional Stability, whereby the personality states of an individual trigger similar states in other people interacting with them and complementarity effects for Openness to Experience, whereby the personality states of an individual trigger opposite states in other people interacting with them. Overall, these findings encourage further research to characterize face-to-face and social interactions in terms of their relevance to personality states.

  5. Investigating the amplitude of interactive footstep sounds and soundscape reproduction

    DEFF Research Database (Denmark)

    Turchet, Luca; Serafin, Stefania

    2013-01-01

    In this paper, we study the perception of amplitude of soundscapes and interactively generated footstep sounds provided both through headphones and a surround sound system. In particular, we investigate whether there exists a value for the amplitude of soundscapes and footstep sounds which...... of soundscapes does not significantly affect the selected amplitude of footstep sounds. Similarly, the perception of the soundscapes amplitude is not significantly affected by the selected amplitude of footstep sounds....

  6. Investigation of migrant-polymer interaction in pharmaceutical packaging material using the linear interaction energy algorithm.

    Science.gov (United States)

    Feenstra, Peter; Brunsteiner, Michael; Khinast, Johannes

    2014-10-01

    The interaction between drug products and polymeric packaging materials is an important topic in the pharmaceutical industry and often associated with high costs because of the required elaborative interaction studies. Therefore, a theoretical prediction of such interactions would be beneficial. Often, material parameters such as the octanol water partition coefficient are used to predict the partitioning of migrant molecules between a solvent and a polymeric packaging material. Here, we present the investigation of the partitioning of various migrant molecules between polymers and solvents using molecular dynamics simulations for the calculation of interaction energies. Our results show that the use of a model for the interaction between the migrant and the polymer at atomistic detail can yield significantly better results when predicting the polymer solvent partitioning than a model based on the octanol water partition coefficient. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

  7. Experimental investigation of electron beam wave interactions utilising short pulses

    International Nuclear Information System (INIS)

    Wiggins, Samuel Mark

    2000-01-01

    Experiments have investigated the production of ultra-short electromagnetic pulses and their interaction with electrons in various resonant structures. Diagnostic systems used in the measurements included large bandwidth detection systems for capturing the short pulses. Deconvolution techniques have been applied to account for bandwidth limitation of the detection systems and to extract the actual pulse amplitudes and durations from the data. A Martin-Puplett interferometer has been constructed for use as a Fourier transform spectrometer. The growth of superradiant electromagnetic spikes from short duration (0.5-1.0 ns), high current (0.6-2.0 kA) electron pulses has been investigated in a Ka-band Cherenkov maser and Ka- and W-band backward wave oscillators (BWO). In the Cherenkov maser, radiation spikes were produced with a peak power ≤ 3 MW, a duration ≥ 70 ps and a bandwidth ≤ 19 %. It is shown that coherent spontaneous emission from the leading edge of the electron pulse drives these interactions, giving rise to self-amplified coherent spontaneous emission (SACSE). BWO spikes were produced with a peak power ≤ 63 MW and a pulse duration ∼ 250 ps in the Ka-band and ≤ 12 MW and ∼ 170 ps in the W-band. Evidence of superradiant evolution has been observed in the measurements of scaling laws such as power scaling with the current squared and duration scaling inversely with the fourth root of the power. An X-band free-electron maser amplifier, in which a short (1.0ns) injected radiation pulse interacts with a long (∼ 140 ns) electron beam, has been investigated. The interaction is shown to evolve in the linear regime. The peak output power was 320 kW, which corresponded to a gain, approximately constant across the band, of 42 dB. Changes to the spectrum, that occur when the input radiation pulse is injected into electrons with an energy gradient, have been analysed. (author)

  8. Investigations of the D-multi-ρ interactions

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, C.W. [Institut fuer Kernphysik (Theorie), Institute for Advanced Simulation, and Juelich Center for Hadron Physics, Forschungszentrum Juelich (Germany); Central South University, School of Physics and Electronics, Changsha (China)

    2017-09-15

    In the present work, which aims at searching for bound states, the interactions of the D-multi-ρ systems are investigated by means of the formalism of the fixed-center approximation to Faddeev equations. Reproducing the states of f{sub 2}(1270) and D{sub 1}(2420) dynamically in the two-body ρρ and ρD interactions, respectively, as the clusters of the fixed-center approximation, the state of D(3000){sup 0} is found as a molecule of D - f{sub 2} or ρ - D{sub 1} structures in the three-body interactions, where we determine its quantum number J{sup P} = 2{sup -} and find another possible state of D{sub 2}(3100) with isospin I = 3/2. In our results, there are some other predictions with uncertainties, a D{sub 3}(3160) state with I(J{sup P}) = (1)/(2)(3{sup +}) in the four-body interactions, a narrow D{sub 4}(3730) state with I(J{sup P}) = (1)/(2)(4{sup -}), a wide D{sub 4}(3410) state of I(J{sup P}) = (1)/(2)(4{sup -}), and another wide D{sub 4}(3770) state but with I(J{sup P}) = (3)/(2)(4{sup -}) in the five-body interactions, and a D{sub 5}(3570) state with I(J{sup P}) = (1)/(2)(5{sup +}) in the six-body interactions. (orig.)

  9. Experimental investigation of the piano hammer-string interaction.

    Science.gov (United States)

    Birkett, Stephen

    2013-04-01

    Experimental techniques for investigating the piano hammer-string interaction are described. It is argued that the accuracy, consistency, and scope of conclusions of previous studies can be compromised by limitations of the conventional methods relating to key inputs; physical distortion; numerical distortion, particularly when differentiation or integration of measured signals is used to derive primary response variables; contact identification; and synchronization issues. These problems are discussed, and experimental methods that have been devised to avoid them are described and illustrated by detailed results from a study of the hammer-string interaction in a vertical piano. High resolution displacements are obtained directly by non-contact high-speed imaging and quantitative motion tracking. The attention focused on achieving very accurate and consistent temporal and spatial alignment, including the objective procedure used for contact identification, allows meaningful comparisons of responses from separate tests. String motion at the strike point and on each side of it, as well as hammer motion, is obtained for eight dynamic levels from 1.06 to 2.98 m/s impact velocity. Detailed observations of the force-compression behavior of the hammer interacting with real strings are presented. The direct effects of hammer shank deflection and agraffe string pulses on the interaction are also highlighted.

  10. Optoelectronic investigation of nanodiamond interactions with human blood

    Science.gov (United States)

    Ficek, M.; Wróbel, M. S.; Wasowicz, M.; Jedrzejewska-Szczerska, M.

    2016-03-01

    We present optoelectronic investigation of in vitro interactions of whole human blood with different nanodiamond biomarkers. Plasmo-chemical modifications of detonation nanodiamond particles gives the possibility for controlling their surface for biological applications. Optical investigations reveal the biological activity of nanodiamonds in blood dependent on its surface termination. We compare different types of nanodiamonds: commercial non-modified detonation nanodiamonds, and nanodiamonds modified by MW PACVD method with H2-termination, and chemically modified nanodiamond with O2-termination. The absorption spectra, and optical microscope investigations were conducted. The results indicate haemocompatibility of non-modified detonation nanodiamond as well as modified nanodiamonds, which enables their application for drug delivery, as well as sensing applications.

  11. Detailed Investigations of Interactions between Ionizing Radiation and Neutral Gases

    Energy Technology Data Exchange (ETDEWEB)

    Landers, Allen L

    2014-03-31

    We are investigating phenomena that stem from the many body dynamics associated with ionization of an atom or molecule by photon or charged particle. Our program is funded through the Department of Energy EPSCoR Laboratory Partnership Award in collaboration with Lawrence Berkeley National Laboratory. We are using variations on the well established COLTRIMS technique to measure ions and electrons ejected during these interactions. Photoionization measurements take place at the Advanced Light Source at LBNL as part of the ALS-COLTRIMS collaboration with the groups of Reinhard Dörner at Frankfurt and Ali Belkacem at LBNL. Additional experiments on charged particle impact are conducted locally at Auburn University where we are studying the dissociative molecular dynamics following interactions with either ions or electrons over a velocity range of 1 to 12 atomic units.

  12. Interactive house investigation and radon diagnostics computer program

    International Nuclear Information System (INIS)

    Gillette, L.M.

    1990-01-01

    This paper reports on the interactive computer program called Dungeons and Radon which was developed as part of the Environmental Protection Agency's (EPA's) Radon Contractor Proficiency (RCP) Program's Radon Technology for Mitigators (RTM) course which is currently being offered in the Regional Radon Training Centers (RRTCs). The program was designed by Terry Brennan to be used in training radon mitigation contractors. The Macintosh based program consists of a series of animated, sound and voice enhanced house scenes. The participants choose where and what to investigate and where to perform diagnostic tests in order to gather enough information to design a successful mitigation system

  13. An interactive data management and analysis system for clinical investigators.

    Science.gov (United States)

    Groner, G F; Hopwood, M D; Palley, N A; Sibley, W L; Baker, W R; Christopher, T G; Thompson, H K

    1978-09-01

    An interactive minicomputer-based system has been developed that enables the clinical research investigator to personally explore and analyze his research data and, as a consequence of these explorations, to acquire more information. This system, which does not require extensive training or computer programming, enables the investigator to describe his data interactively in his own terms, enter data values while having them checked for validity, store time-oriented patient data in a carefully controlled on-line data base, retrieve data by patient, variable, and time, create subsets of patients with common characteristics, perform statistical analyses, and produce tables and graphs. It also permits data to be transferred to and from other computers. The system is well accepted and is being used by a variety of medical specialists at the three clinical research centers where it is operational. Reported benefits include less elapsed and nonproductive time, more thorough analysis of more data, greater and earlier insight into the meaning of research data, and increased publishable results.

  14. Experimental investigation of interactions between proteins and carbon nanomaterials

    Science.gov (United States)

    Sengupta, Bishwambhar

    The global market for nanomaterials based products is forecasted to reach $1 trillion per annum per annum for 2015. Engineered nanomaterials (ENMs) exhibit unique physicochemical properties with potential to impact diverse aspects of society through applications in electronics, renewable energy, and medicine. While the research and proposed applications of ENMs continue to grow rapidly, the health and safety of ENMs still remains a major concern to the public as well as to policy makers and funding agencies. It is now widely accepted that focused efforts are needed for identifying the list of physicochemical descriptors of ENM before they can be evaluated for nanotoxicity and biological response. This task is surprisingly challenging, as many physicochemical properties of ENMs are closely inter related and cannot be varied independently (e.g. increasing the size of an ENM can introduce additional defects). For example, varying toxic response may ensue due to different methods of nanomaterial preparation, dissimilar impurities and defects. Furthermore, the inadvertent coating of proteins on ENM surface in any biological milieu results in the formation of the so-called "protein/bio-corona" which can in turn alter the fate of ENMs and their biological response. Carbon nanomaterials (CNMs) such as carbon nanotubes, graphene, and graphene oxide are widely used ENMs. It is now known that defects in CNMs play an important role not only in materials properties but also in the determination of how materials interact at the nano-bio interface. In this regard, this work investigates the influence of defect-induced hydrophilicity on the bio-corona formation using micro Raman, photoluminescence, infrared spectroscopy, electrochemistry, and molecular dynamics simulations. Our results show that the interaction of proteins (albumin and fibrinogen) with CNMs is strongly influenced by charge transfer between them, inducing protein unfolding which enhances conformational entropy and

  15. A preliminary investigation into genotype x environment interaction ...

    African Journals Online (AJOL)

    uvp

    2014-08-24

    Aug 24, 2014 ... Genotype x environment interaction (G x E) in dairy cattle is a contentious ... environments, if it exists, with a negative impact on genetic response ..... interaction for Holstein milk yield in Colombia, Mexico and Puerto Rico.

  16. Investigation of physical structures and interactions at high energy

    International Nuclear Information System (INIS)

    Anderson, E.W.

    1991-01-01

    Contract AC02-85ER40193 supports the investigation of fundamental structures and interactions at high energy by the Iowa State University Alpha HEP Group. Three major activities constitute the present focus of our research. Experiment E-735, performed at the Fermilab Tevatron Collider, is a search for a deconfined quark-gluon plasma phase of hadronic matter predicted to occur when temperatures of 240 MeV are achieved. The primary data were obtained in 1988--1989, from these data the collaboration is analyzing the charged particle multiplicity and transverse momentum distributions of the produced secondaries. These measurements are regarded on theoretical grounds to be sensitive indicators of the formation of a high-temperature plasma. The TPC detector, installed in the PEP ring at SLAC, has accumulated about 60,000 hadronic events at 29 GeV center-of-mass energy. Several thousand events have high-precision vertex chamber measurements. Physics analysis of charmed quark events, in addition to a measurement of the QCD strong coupling, are in progress. Our identification and reconstruction of D o , D*, and D s , charmed mesons will be useful for subsequent B meson studies in the TPC detector. The SSC liquid argon major subsystem tests at BNL and studies of gauge boson identification and reconstruction for large SSC detectors are in progress. Several crucial problems related to calorimeter geometries, coil geometries, and discrimination methods in full SSC events have been solved, and work is in progress on a one million event test of WW scattering capability up to 2 TeV. Our participation in the subsystem proposal involves construction of the module, data-taking at the AGS, and data analysis

  17. Experimental Investigation of Turbulence-Chemistry Interaction in High-Reynolds-Number Turbulent Partially Premixed Flames

    Science.gov (United States)

    2016-06-23

    AFRL-AFOSR-VA-TR-2016-0277 Experimental Investigation of Turbulence-Chemistry Interaction in High- Reynolds -Number Turbulent Partially Premixed...4. TITLE AND SUBTITLE [U] Experimental investigation of turbulence-chemistry interaction in high- Reynolds -number 5a. CONTRACT NUMBER turbulent...for public release Final Report: Experimental investigation of turbulence-chemistry interaction in high- Reynolds -number turbulent partially premixed

  18. Application of proteomics to investigate barley-Fusarium graminearum interaction

    OpenAIRE

    Yang, Fen; Finnie, Christine; Jacobsen, Susanne

    2011-01-01

    Due to the great loss of barley grain yield and quality in addition to mycotoxins contamination caused by Fusarium head blight (FHB), it is essential to understand the molecular interaction between barley and Fusarium graminearum, one of the primary Fusarium species causing FHB, in order to control the disease. Due to the advantages of gel-based proteomics that differentially expressed proteins involved in the interaction can be directly detected by comparing protein profiles displayed on 2-D...

  19. Investigating Near Space Interaction Regions: Developing a Remote Observatory

    Science.gov (United States)

    Gallant, M.; Mierkiewicz, E. J.; Oliversen, R. J.; Jaehnig, K.; Percival, J.; Harlander, J.; Englert, C. R.; Kallio, R.; Roesler, F. L.; Nossal, S. M.; Gardner, D.; Rosborough, S.

    2016-12-01

    The Investigating Near Space Interaction Regions (INSpIRe) effort will (1) establish an adaptable research station capable of contributing to terrestrial and planetary aeronomy; (2) integrate two state-of-the-art second generation Fabry-Perot (FP) and Spatial Heteorodyne Spectrometers (SHS) into a remotely operable configuration; (3) deploy this instrumentation to a clear-air site, establishing a stable, well-calibrated observatory; (4) embark on a series of observations designed to contribute to three major areas of geocoronal research: geocoronal physics, structure/coupling, and variability. This poster describes the development of the INSpIRe remote observatory. Based at Embry-Riddle Aeronautical University (ERAU), initiative INSpIRe provides a platform to encourage the next generation of researchers to apply knowledge gained in the classroom to real-world science and engineering. Students at ERAU contribute to the INSpIRe effort's hardware and software needs. Mechanical/optical systems are in design to bring light to any of four instruments. Control software is in development to allow remote users to control everything from dome and optical system operations to calibration and data collection. In April 2016, we also installed and tested our first science instrument in the INSpIRe trailer, the Redline DASH Demonstration Instrument (REDDI). REDDI uses Doppler Asymmetric Spatial Heterodyne (DASH) spectroscopy, and its deployment as part of INSpIRe is a collaborative research effort between the Naval Research Lab, St Cloud State University, and ERAU. Similar to a stepped Michelson device, REDDI measures oxygen (630.0 nm) winds from the thermosphere. REDDI is currently mounted in a temporary location under INSpIRe's main siderostat until its entrance optical system can be modified. First light tests produced good signal-to-noise fringes in ten minute integrations, indicating that we will soon be able to measure thermospheric winds from our Daytona Beach testing site

  20. Investigating EFL Classroom Interaction Process in Iraqi Intermediate Schools

    Directory of Open Access Journals (Sweden)

    Muna Mohammed Abbas Alkhateeb

    2017-09-01

    Full Text Available In recent times, the traditional interaction structures of English both language classrooms and roles of teachers and students are gradually changing. This marks the shift from the teacher-centered classrooms to student-centered classrooms; moving towards ‘student-centered learning’ and‘collaborative working modes’. The contemporary educational world views teachers and students as communicators. In such situations students get more opportunity to ‘participate’, ‘observe’, ‘reflect on’ and ‘practice social ways’. These opportunities expose the students to a more ‘meaning-making’ and ‘knowledge construction processes’. The shift from traditional teaching and learning process to the contemporary one has posed great challenges for teachers, who are always working under pressure to complete the syllabus designed for the academic year. In such a situation it is very important to ascertain if this idea of student-centered classroom is present in the recent classroom. Educationally oriented research into classroom interaction makes it essential for further studies into the classroom interaction in the modern classroom. Hence, this study aims to observe the interaction process that takes place in English classrooms of four government schools in Hilla (Centre of Babylon Governorate. This paper also suggests measures to improve classroom interaction and language learning in the English classes. The main findings from the study are as follows: (a the classroom interaction is teacher-centered, (b teachers partially facilitate learning, the classrooms are controlled by teachers (c the ratio of the teacher-talk is more than student-talk."

  1. SIMULATION AND INVESTIGATION OF TIRE TREAD BLOCKS INTERACTION WITH ICE

    Directory of Open Access Journals (Sweden)

    Andrius Ružinskas

    2017-12-01

    Full Text Available The car tire is an essential subject analysing its interaction with the road. From tire’s tread condition, geometry and rubber compound depends grip and vehicle stability. This is especially relevant in winter time, when roads are covered with the layer of snow or ice. Generally, new tires are tested in real traffic conditions using vehicles. However, ensuring these conditions requires many resources and sometimes it could be a big challenge. For this reason, simulation of the tire interaction with the road becomes more important in nowadays tire researches. Since the tire is a complex engineering subject, the tire tread blocks could be separated for individual analysis. The interaction between the dry ice and the tread block with sipes was analysed using finite element analysis. The tread block was described using hyperelastic Mooney­Rivlin material model. The deformations, distribution of the contact pressure and shear stresses were obtained for the soft and hard rubber compounds with different vertical load conditions. Also a solid tread block interaction was analysed and it was found that values of contact pressure and shear stresses are much lower comparing to siped tread block.

  2. Electrochemical Investigation of the Interaction between Catecholamines and ATP.

    Science.gov (United States)

    Taleat, Zahra; Estévez-Herrera, Judith; Machado, José D; Dunevall, Johan; Ewing, Andrew G; Borges, Ricardo

    2018-02-06

    The study of the colligative properties of adenosine 5'-triphosphate (ATP) and catecholamines has received the attention of scientists for decades, as they could explain the capabilities of secretory vesicles (SVs) to accumulate neurotransmitters. In this Article, we have applied electrochemical methods to detect such interactions in vitro, at the acidic pH of SVs (pH 5.5) and examined the effect of compounds having structural similarities that correlate with functional groups of ATP (adenosine, phosphoric acid and sodium phosphate salts) and catecholamines (catechol). Chronoamperometry and fast scan cyclic voltammetry (FSCV) provide evidence compatible with an interaction of the catechol and adenine rings. This interaction is also reinforced by an electrostatic interaction between the phosphate group of ATP and the protonated ammonium group of catecholamines. Furthermore, chronoamperometry data suggest that the presence of ATP subtlety reduces the apparent diffusion coefficient of epinephrine in aqueous media that adds an additional factor leading to a slower rate of catecholamine exocytosis. This adds another plausible mechanism to regulate individual exocytosis events to alter communication.

  3. Application of proteomics to investigate barley-Fusarium graminearum interaction

    DEFF Research Database (Denmark)

    Yang, Fen

    in plants under low N and iv) proteomes of uninfected plants were similar under two N levels. Correlation of level of proteolysis induced by the fungus with measurement of Fusarium-damaged kernels, fungal biomass and mycotoxin levels indicated that FHB was more severe in barley with low N. In Chapter 3......, the molecular mechanisms of barley defense to Fusarium graminearum at the early infection stage were studied. Antibodies against barley β-amylases were shown to be the markers for infection at proteome level and for selection of the time for proteome analysis before extensive degradation caused by the fungus...... the disease. Due to the advantages of gel-based proteomics that differentially expressed proteins involved in the interaction can be directly detected by comparing protein profiles displayed on 2-D gels, it is used as a tool for studying the barley- Fusarium graminearum interaction form three different...

  4. Investigation of sodium - carbon dioxide interactions with calorimetric studies

    International Nuclear Information System (INIS)

    Simon, N.; Latge, C.; Gicquel, L.

    2007-01-01

    The supercritical CO 2 Brayton cycle could be a promising option to enhance the competitiveness of future Sodium fast reactors but it is highly necessary to get thermodynamic and kinetics information on potential sodium-CO 2 chemical reactions and their consequences. We have studied the interaction between Na and CO 2 via calorimetric methods. These methods are able to point out exothermic/endothermic phenomena and to measure heat of chemical reactions. The main feature of the Na/CO 2 interaction seems to be its sharp dependence on temperature. At low temperature, below 500 C degrees, CO 2 and sodium react and exhibit an induction time which decreases when temperature increases. Above 500 C degrees, we observe a global phenomenon with a fast and instantaneous chemical reaction which may be understood as an auto-combustion of CO 2 in sodium. We clearly demonstrated that Na/CO 2 interaction does not proceed as an auto-catalytic process and is more satisfactorily explained by the occurring of an auto-combustion phenomenon

  5. Microscopic investigation of the 12C + 12C interaction

    International Nuclear Information System (INIS)

    Baye, D.; Pecher, N.; Brussels Univ.

    1982-01-01

    The 12 C + 12 C system is studied in the framework of the generator coordinate method. Each 12 C nucleus is described by a closed psub(3/2) subshell. Phase shifts and resonances are determined for several effective two-body interactions involving a spin-orbit term. The existence and properties of simple local equivalent potentials for the 12 C + 12 C collision are discussed. The 12 C + 12 C system is too light to be well described by potentials independent of the angular momentum or weakly dependent on it. (orig.)

  6. Further investigations of the NN interaction in the Skyrme model

    International Nuclear Information System (INIS)

    Kaelbermann, G.; Eisenberg, J.M.

    1989-01-01

    We examine the influence of the coupling to NΔ and ΔΔ degrees of freedom for the NN interaction as derived in the Skyrme model, carrying out an extensive search for parameters in the basic Lagrangian that will yield both reasonable single-baryon results and appreciable attraction. Separately the free one-body skyrmeon solution and an improved two-body solution are inserted in the product ansatz for the two-body system both with and without time-dependent dynamical terms. No appreciable central attraction between nucleons is found with either of these approaches. (author)

  7. Investigating Conversational Dynamics: Interactive Alignment, Interpersonal Synergy, and Collective Task Performance

    Science.gov (United States)

    Fusaroli, Riccardo; Tylén, Kristian

    2016-01-01

    This study investigates interpersonal processes underlying dialog by comparing two approaches, "interactive alignment" and "interpersonal synergy", and assesses how they predict collective performance in a joint task. While the interactive alignment approach highlights imitative patterns between interlocutors, the synergy…

  8. Experimental Investigation of Hypersonic Flow and Plasma Aerodynamic Actuation Interaction

    International Nuclear Information System (INIS)

    Sun Quan; Cheng Bangqin; Li Yinghong; Cui Wei; Yu Yonggui; Jie Junhun

    2013-01-01

    For hypersonic flow, it was found that the most effective plasma actuator is derived from an electromagnetic perturbation. An experimental study was performed between hypersonic flow and plasma aerodynamic actuation interaction in a hypersonic shock tunnel, in which a Mach number of 7 was reached. The plasma discharging characteristic was acquired in static flows. In a hypersonic flow, the flow field can affect the plasma discharging characteristics. DC discharging without magnetic force is unstable, and the discharge channel cannot be maintained. When there is a magnetic field, the energy consumption of the plasma source is approximately three to four times larger than that without a magnetic field, and at the same time plasma discharge can also affect the hypersonic flow field. Through schlieren pictures and pressure measurement, it was found that plasma discharging could induce shockwaves and change the total pressure and wall pressure of the flow field

  9. Investigating the role of aesthetics for interaction design

    DEFF Research Database (Denmark)

    Stavrakos, Stavros-Konstantinos; Ahmed-Kristensen, Saeema

    2013-01-01

    Two important aspects when designing products is to focus on comfort and to define the aesthetic and emotional value of the product. The main purpose of this research is to answer the question of how attractiveness perceived through the sensory inputs affects the assessment of comfort as well...... when the levels of attractiveness increase and vice versa. The findings further indicate that there are strong, significant correlations between scores of comfort and product adjectives commonly used to describe product attributes such as size, weight and surface material. Hence, there is an emotional...... dimension of comfort which is initiated by the visual input during a human – product interaction and is affected by the attractiveness towards the product. In their endeavor to develop successful and comfortable products designers should focus more on attractiveness....

  10. Quantitative image analysis for investigating cell-matrix interactions

    Science.gov (United States)

    Burkel, Brian; Notbohm, Jacob

    2017-07-01

    The extracellular matrix provides both chemical and physical cues that control cellular processes such as migration, division, differentiation, and cancer progression. Cells can mechanically alter the matrix by applying forces that result in matrix displacements, which in turn may localize to form dense bands along which cells may migrate. To quantify the displacements, we use confocal microscopy and fluorescent labeling to acquire high-contrast images of the fibrous material. Using a technique for quantitative image analysis called digital volume correlation, we then compute the matrix displacements. Our experimental technology offers a means to quantify matrix mechanics and cell-matrix interactions. We are now using these experimental tools to modulate mechanical properties of the matrix to study cell contraction and migration.

  11. Investigation of uranyl phosphite interaction with some amides

    International Nuclear Information System (INIS)

    Avduevskaya, K.A.; Ragulina, N.B.; Rozanov, I.A.; Mukhajlov, Yu.N.; Kanishcheva, A.S.; Grevtseva, T.G.

    1981-01-01

    Uranyl (amide) phosphitocomplexes of [UO 2 HPO 3 H 2 OAA]xH 2 O, [UO 2 HPO 3 (AA) 2 ], [UO 2 HPO 3 H 2 O DMC], [UO 2 HPO 3 H 2 ODMFA], [UO 2 HPO 3 DAMA] and UO 2 HPO 3 x2FAxH 2 O compositions, where AA-acetamide; DMC-N, N-dimetyl carbamide, DMFA-dimetyl formamide; DAMA-diamide of malonic acid; FA-formamide, are separated, identified and investigated. Derivatives of mono substituted uranyl phosphite of UO 2 (H 2 PO 3 ) 2 x2FA and [UO 2 (H 2 PO 3 ) 2 H 2 O]x2TMC composition (where TMC-tetramethyl carbamide), are synthesized. Structures of complexes with DAMA, TMC, DMFA and acid dimethyl-ammonium diphosphitouranylate-(CH 3 ] 2 NH 2 x[UO 2 (HPO 3 ) 3 (H 2 PO 3 )] are investigated [ru

  12. Modelling of water-rock interaction at TVO investigation sites

    International Nuclear Information System (INIS)

    Pitkaenen, P.; Leino-Forsman, H.

    1992-12-01

    The geochemistry of the groundwater at the Kivetty, Syyry and Olkiluoto site investigation areas in Finland for nuclear waste disposal is evaluated. The hydrogeological data is collected from boreholes drilled down to 100-m depth into crystalline bedrock. The interpretation is based on groundwater chemistry and isotope data, mineralogical data, and the structure and hydrology of the bedrock, using correlation diagrams and the thermodynamic calculations (PHREEQE,EQ3NR). The hydrogeochemistry and major processes controlling the groundwater chemistry are discussed

  13. AESOP: A Python Library for Investigating Electrostatics in Protein Interactions.

    Science.gov (United States)

    Harrison, Reed E S; Mohan, Rohith R; Gorham, Ronald D; Kieslich, Chris A; Morikis, Dimitrios

    2017-05-09

    Electric fields often play a role in guiding the association of protein complexes. Such interactions can be further engineered to accelerate complex association, resulting in protein systems with increased productivity. This is especially true for enzymes where reaction rates are typically diffusion limited. To facilitate quantitative comparisons of electrostatics in protein families and to describe electrostatic contributions of individual amino acids, we previously developed a computational framework called AESOP. We now implement this computational tool in Python with increased usability and the capability of performing calculations in parallel. AESOP utilizes PDB2PQR and Adaptive Poisson-Boltzmann Solver to generate grid-based electrostatic potential files for protein structures provided by the end user. There are methods within AESOP for quantitatively comparing sets of grid-based electrostatic potentials in terms of similarity or generating ensembles of electrostatic potential files for a library of mutants to quantify the effects of perturbations in protein structure and protein-protein association. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  14. Investigation of nuclear interactions around 20 TeV

    Energy Technology Data Exchange (ETDEWEB)

    Sato, Y [Waseda Univ., Tokyo (Japan). Science and Engineering Research Lab.; Sugimoto, H; Saito, T

    1976-12-01

    Nuclear interactions at a mean energy of about 20 TeV are studied by means of a nuclear emulsion chamber with jet producer. In the present analysis, particular emphasis is placed on the experimental condition. The transverse momentum spectrum of secondary ..gamma.. rays is approximated by a single exponential in a range of 0.3

  15. Investigation of heavy quark and multiple interactions at HERA

    International Nuclear Information System (INIS)

    Magro, L.M.

    2005-09-01

    This thesis is oriented to the study of heavy quark photoproduction and multiple interactions, MI. For this reason we search for D* Mesons, in order to tag the charm quark, and we restrict ourselves in the region: Q 2 2 . For the theoretical calculations we use two Monte Carlo event generators: RAPGAP 3.1 and PYTHIA 6.2. Heavy quark production provides a large hard scale and therefore a small α s , which allows to test the perturbative QCD theory. On the other hand, MI has been proven to be important in hadron-hadron collisions. In this thesis, using MC event generators, we search for possible signals of MI in heavy quark production in electron-proton, ep, collisions. The thesis begins with a Theoretical Overview, with an introduction to ep collisions physics and the heavy quark photoproduction. We also give an introduction to the MI model included in PYTHIA. The next chapter introduces the concept of jet and presents some methods for the Heavy Quark Identification. After these two theoretical chapters there is a study of the direct and photon resolved processes, as well as the parton showering with RAPGAP. Since this thesis is oriented to the study of MI, PYTHIA plays a very important role because it includes a MI model also for ep collisions. Therefore, the fourth chapter is oriented to study the different steps in the event generation in PYTHIA. Chapter 7 is a D* Meson photoproduction study, where we include a comparison between the data, taken from the PhD Thesis of Gero Flucke. Finally, chapter 8 is a search for possible signals on MI. In hadron-hadron collisions it is clear that MI play a role. In ep collisions it is not so clear although MI could play a role in resolved photon events. The aim of this chapter is to find signals where HERA measurements could be sensitive to MI. (orig.)

  16. Final Report on Investigation of the Electron Interactions in Graphene

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Philip [Columbia University

    2015-02-14

    In graphene, combined with the real spin degree of freedom, which exhibits SU(2) symmetry, the total internal degrees of freedom of graphene carriers is thus described by a larger SU(4) symmetry, which produces a richer space for potential phenomena of emergent correlated electron phenomena. The major part of this proposal is exploring this unique multicomponent correlated system in the quantum limit. In the current period of DOE BES support we have made several key advances that will serve as a foundation for the new studies in this proposal. Employing the high-mobility encapsulated graphene heterostructures developed during the current phase of research, we have investigated spin and valley quantum Hall ferromagnetism in graphene and discovered a spin phase transition leading to a quantum spin Hall analogue. We have also observed the fractal quantum Hall effect arising from the Hofstadter’s butterfly energy spectrum. In addition, we have discovered multiband transport phenomena in bilayer graphene at high carrier densities.

  17. Investigation of electron heating in laser-plasma interaction

    Directory of Open Access Journals (Sweden)

    A Parvazian

    2013-03-01

    Full Text Available  In this paper, stimulated Raman scattering (SRS and electron heating in laser plasma propagating along the plasma fusion is investigated by particle-in cell simulation. Applying an external magnetic field to plasma, production of whistler waves and electron heating associated with whistler waves in the direction perpendicular to external magnetic field was observed in this simulation. The plasma waves with low phase velocities, generated in backward-SRS and dominateing initially in time and space, accelerated the backward electrons by trapping them. Then these electrons promoted to higher energies by the forward-SRS plasma waves with high phase velocities. This tow-stage electron acceleration is more efficient due to the coexistence of these two instabilities.

  18. Investigation of electron heating in laser-plasma interaction

    International Nuclear Information System (INIS)

    Parvazian, A.; Haji Sharifi, K.

    2013-01-01

    In this paper, stimulated Raman scattering and electron heating in laser plasma propagating along the plasma fusion is investigated by particle-in cell simulation. Applying an external magnetic field to plasma, production of whistler waves and electron heating associated with whistler waves in the direction perpendicular to external magnetic field was observed in this simulation. The plasma waves with low phase velocities, generated in backward-stimulated Raman scattering and dominating initially in time and space, accelerated the backward electrons by trapping them. Then these electrons promoted to higher energies by the forward-stimulated Raman scattering plasma waves with high phase velocities. This two-stage electron acceleration is more efficient due to the coexistence of these two instabilities.

  19. Investigation of microbial-mineral interactions by Moessbauer spectroscopy

    International Nuclear Information System (INIS)

    Sawicki, J.A.; Brown, D.A.

    1998-01-01

    Moessbauer spectroscopy was used to investigate the reactions of microbes with iron minerals in aqueous solutions and as components of rocks in banded iron formations and granite. A microbial biofilm that formed on a wall of an excavated granite vault in a deep underground laboratory initiated this research. At the aerobic face of the biofilm, iron was found in a form of ferrihydrite; in the anaerobic face against the rock, iron was found as very small siderite particles. Laboratory incubations of the biofilm microbial consortium showed different mineral species could be formed. When the microbial consortium from the biofilm was incubated with magnetite grains, up to about 10% of the iron was altered in three weeks to hematite. The ability of the consortium to precipitate iron both as Fe 2+ and Fe 3+ in close proximity may have a bearing on the deposition of banded iron formations. These reactions could also be important in microbially induced corrosion

  20. Theoretical investigation of electron-positive ion/atom interactions

    International Nuclear Information System (INIS)

    Msezane, A.Z.

    1992-01-01

    Very brief summaries are given on three research topics. Electron impact elastic, excitation, and total cross sections for K were investigated by using elaborate Cl target wave functions in the close-coupling approximation. Photoionization cross sections from ground-state Na were calculated near the 2s 2 2p 5 3s and 2s2p 6 3s inner-shell thresholds; also, the photoionization cross sections of excited 3p 2 P o and 3d 2 D states were calculated with the R-matrix methodology near the 2s2p 6 3s thresholds. A numerical approach was developed to calculate the charge transfer matrix elements for ion-atom(ion) collisions; this was used for the proton-hydrogen collision problem as an illustration

  1. Investigating hadronic resonances in pp interactions with HADES

    Directory of Open Access Journals (Sweden)

    Przygoda Witold

    2015-01-01

    Full Text Available In this paper we report on the investigation of baryonic resonance production in proton-proton collisions at the kinetic energies of 1.25 GeV and 3.5 GeV, based on data measured with HADES. Exclusive channels npπ+ and ppπ0 as well as ppe+e− were studied simultaneously in the framework of a one-boson exchange model. The resonance cross sections were determined from the one-pion channels for Δ(1232 and N(1440 (1.25 GeV as well as further Δ and N* resonances up to 2 GeV/c2 for the 3.5 GeV data. The data at 1.25 GeV energy were also analysed within the framework of the partial wave analysis together with the set of several other measurements at lower energies. The obtained solutions provided the evolution of resonance production with the beam energy, showing a sizeable non-resonant contribution but with still dominating contribution of Δ(1232P33. In the case of 3.5 GeV data, the study of the ppe+e− channel gave the insight on the Dalitz decays of the baryon resonances and, in particular, on the electromagnetic transition form-factors in the time-like region. We show that the assumption of a constant electromagnetic transition form-factors leads to underestimation of the yield in the dielectron invariant mass spectrum below the vector mesons pole. On the other hand, a comparison with various transport models shows the important role of intermediate ρ production, though with a large model dependency. The exclusive channels analysis done by the HADES collaboration provides new stringent restrictions on the parameterizations used in the models.

  2. Investigation of interactions between dendrimer-coated magnetite nanoparticles and bovine serum albumin

    International Nuclear Information System (INIS)

    Pan Bifeng; Gao Feng; Ao Limei

    2005-01-01

    We investigated the interactions between dendrimer-coated magnetite nanoparticles (MNPs) and the protein serum albumin. The investigation was based on the fluorescence quenching of tryptophan residue of serum albumin after binding with the dendrimer-coated magnetite nanoparticles. The extent of the interactions between bovine serum albumin and dendrimer-coated MNPs strongly depends on their surface groups and pH value

  3. Ultraviolet light and ozone surface modification of poly-alpha α-methylstyrene using electroless nickel plating

    International Nuclear Information System (INIS)

    Chi Fangting; Sichuan Univ., Chengdu; Li Bo; Liu Yiyang; Chen Sufen; Jiang Bo

    2009-01-01

    The deposition capability of nickel on the surface of poly-α-methylstyrene microspheres was improved by combined treatment of ozone aeration and UV irradiation in aqueous ammonia. Surface properties of the treated film were investigated by X-ray photoelectron spectroscopy(XPS) and Fourier transform infrared(FT-TR) measurements. The samples were characterized by SEM. The results indicate that after ultraviolet joint ozone treatment, the surfaces of microspheres were oxidized, and the amine and amide groups are introduced on their surface. The images of SEM show the adhesion between microspheres and nickel-phosphorus films was improved after surface modification. This was attributed to amide which could chemisorb palladium ions to catalyze electroless nickel plating on the pretreated surface of microspheres. (authors)

  4. Using Language Games as a Way to Investigate Interactional Engagement in Human-Robot Interaction

    DEFF Research Database (Denmark)

    Jensen, L. C.

    2016-01-01

    how students' engagement with a social robot can be systematically investigated and evaluated. For this purpose, I present a small user study in which a robot plays a word formation game with a human, in which engagement is determined by means of an analysis of the 'language games' played...

  5. Synthesis of PAMAM dendrimers and investigations of their interaction with POPC/POPG lipids

    OpenAIRE

    Gneid, Hassan

    2014-01-01

    PAMAM dendrimers are three dimensional organic polymers synthesised by repetitive steps to achieve a controlled size and shape with a choice of surface functional groups. One of the potential applications of dendrimers is for drug/gene delivery which requires the dendrimer to interact with the cellular membranes. This study is designed to probe the interactions between PAMAM dendrimers and lipid bilayers. To investigate these interactions PAMAM dendrimers up to the third generation were synth...

  6. Investigating Pedagogical Techniques in Classroom Interactions at a CELTA Training Programme

    Science.gov (United States)

    Rahman, Md Shidur

    2016-01-01

    The study investigated the similarities and dissimilarities of using pedagogical techniques in classroom interactions, taken place whilst teaching a known language and an unknown language in a CELTA training classroom context. For this purpose, the classroom interactions in unknown and known languages were analysed according to the qualitative…

  7. Assessing the Effectiveness of Parent-Child Interaction Therapy with Language Delayed Children: A Clinical Investigation

    Science.gov (United States)

    Falkus, Gila; Tilley, Ciara; Thomas, Catherine; Hockey, Hannah; Kennedy, Anna; Arnold, Tina; Thorburn, Blair; Jones, Katie; Patel, Bhavika; Pimenta, Claire; Shah, Rena; Tweedie, Fiona; O'Brien, Felicity; Leahy, Ruth; Pring, Tim

    2016-01-01

    Parent-child interaction therapy (PCIT) is widely used by speech and language therapists to improve the interactions between children with delayed language development and their parents/carers. Despite favourable reports of the therapy from clinicians, little evidence of its effectiveness is available. We investigated the effects of PCIT as…

  8. Investigating the interaction of x-ray free electron laser radiation with grating structure

    NARCIS (Netherlands)

    Gaudin, J.; Ozkan, C.; Chalupsky, J.; Bajt, S.; Burian, T.; Vysin, L.; Coppola, N.; Farahani, S. D.; Chapman, H. N.; Galasso, G.; Hajkova, V.; Harmand, M.; Juha, L.; Jurek, M.; Loch, R. A.; Möller, S.; Nagasono, M.; Stormer, M.; Sinn, H.; Saksl, K.; Sobierajski, R.; Schulz, J.; Sovak, P.; Toleikis, S.; Tiedtke, K.; Tschentscher, T.; Krzywinski, J.

    2012-01-01

    The interaction of free electron laser pulses with grating structure is investigated using 4.6 +/- 0.1 nm radiation at the FLASH facility in Hamburg. For fluences above 63.7 +/- 8.7 mJ/cm(2), the interaction triggers a damage process starting at the edge of the grating structure as evidenced by

  9. Interactivity effects in social media marketing on brand engagement: an investigation of underlying mechanisms

    NARCIS (Netherlands)

    Antheunis, M.L.; van Noort, G.; Eisend, M.; Langner, T.

    2011-01-01

    Although, SNS advertising spending increases, research on SNS campaigning is still underexposed. First, this study aims to investigate the effect of SNS campaign interactivity on the receivers brand engagement, taking four underlying mechanisms into account (brand identification, campaign

  10. Problematic issues of improvement of an interaction between an investigator and other participants of criminal proceedings

    Directory of Open Access Journals (Sweden)

    О. С. Луньова

    2015-05-01

    Full Text Available Problem setting. The article considers features of the interaction between an investigator as a representative of the prosecution and other various participants of criminal proceedings including a head of investigation unit, prosecutor, investigative judge and others. The topicality of raised questions in the current article is confirmed by the fact that previously the interaction between an investigator and other participants of criminal proceedings in pre-trial investigation was conducted in terms of the former Criminal Procedural Code of Ukraine (1960. Recent research and publications analysis. Some of questions regarding the interaction between an investigator and other participants of criminal proceedings in pre-trial investigation were examined by Linovskii V. A, Bandurka A. M., Groshevii Y. M., Larin O. M., Loboika L. M., Pogoretskii M. A., Tatarov O. Y., Sheiffer S. A., Golovko L. V., Baulin O. V., Zelenetskii V. S., Yukhno A. A. and others. Paper objective. The main aim of the article is a research of features of the interaction in current circumstances between an investigator and other participants of criminal proceedings including the head of investigation unit. It concerns as well the research of different scientific views regarding the matter and various ideas about improvement of principal norms in the Criminal Procedural Code of Ukraine and other legal acts that regulate the above-mentioned interaction. Paper main body. During the pre-trial investigation the essential question is the interaction between an investigator and a prosecutor who conducts an oversight in criminal proceedings. The current Criminal Procedural Code of Ukraine greatly expanded the full powers of the prosecutor to oversee the compliance of laws during a pre-trial investigation. Only the prosecutor should conduct a procedural supervision in a pre-trial investigation. We believe this procedural possibility limits an investigation independency. The interaction

  11. Investigating the benefits of a secondary education interaction design thinking course inside and outside the classroom

    NARCIS (Netherlands)

    Aflatoony, L.; Wakkary, R.L.; Neustaedter, C.

    In this study we investigated how an interaction design-thinking course benefited secondary school students in grades 9 and 10. This study investigated the benefits for students within the classroom and unlike previous studies, it also articulated the potential for students to utilize their skills

  12. Investigation of Fanconi anemia protein interactions by yeast two-hybrid analysis.

    Science.gov (United States)

    Huber, P A; Medhurst, A L; Youssoufian, H; Mathew, C G

    2000-02-05

    Fanconi anemia is a chromosomal breakage disorder with eight complementation groups (A-H), and three genes (FANCA, FANCC, and FANCG) have been identified. Initial investigations of the interaction between FANCA and FANCC, principally by co-immunoprecipitation, have proved controversial. We used the yeast two-hybrid assay to test for interactions of the FANCA, FANCC, and FANCG proteins. No activation of the reporter gene was observed in yeast co-expressing FANCA and FANCC as hybrid proteins, suggesting that FANCA does not directly interact with FANCC. However, a high level of activation was found when FANCA was co-expressed with FANCG, indicating strong, direct interaction between these proteins. Both FANCA and FANCG show weak but consistent interaction with themselves, suggesting that their function may involve dimerisation. The site of interaction of FANCG with FANCA was investigated by analysis of 12 mutant fragments of FANCG. Although both N- and C-terminal fragments did interact, binding to FANCA was drastically reduced, suggesting that more than one region of the FANCG protein is required for proper interaction with FANCA. Copyright 2000 Academic Press.

  13. Exploring Interactions in L2 Blogging: Metadiscourse in Philippine Investigative Journalism Blogs

    Directory of Open Access Journals (Sweden)

    Veronico Nogales Tarrayo

    2014-09-01

    Full Text Available Although metadiscourse has been examined in different genres, such as academic papers, newspaper editorials, school textbooks, and the like, still relatively little attention has been given to the discourse of cyber-genres, particularly blogs or weblogs. Using Hyland’s (2005 model, this paper examined the interactive and the interactional metadiscourse in Philippine investigative journalism blogs where English is used as a second language or L2. The corpus analyzed was taken from 20 investigative journalism blogs published in http://pcij.org/blog/, the official website of the Philippine Center for Investigative Journalism (PCIJ blogs. Based on the findings of the study, it can be inferred that there is much evidence in the use of metadiscourse in Philippine investigative journalism blogs; thus, the use of metadiscourse as an appropriate linguistic resource is supplemental and essential. The data revealed that the investigative journalism blogs have a higher frequency of use of interactive resources, allowing writers to organize and structure their propositions so that the text becomes more coherent to the readers. Among the five categories of interactive resources, the use of evidentials has the highest frequency. As regards the use of interactional resources, hedges are the most frequent. The findings of the study likewise provide pedagogical implications for ESL writing.

  14. Investigation of the molecular level interactions between mucins and food proteins: Spectroscopic, tribological and rheological studies

    OpenAIRE

    Celebioglu, Hilal Yilmaz; Chronakis, Ioannis S.; Lee, Seunghwan; Guðjónsdóttir, María

    2017-01-01

    The thesis investigated the structure and molecular-level interaction of β-lactoglobulin (BLG) and mucins, representing major components of the dairy products and saliva/digestion systems, respectively. Mucins are long glycoprotein molecules responsible for the gel nature of the mucous layer covers epithelial surfaces throughout the body. A literature review of the interactions of different mucin types and saliva mucins with several food proteins and food protein emulsions, as well as their f...

  15. Exploring Interactions in L2 Blogging: Metadiscourse in Philippine Investigative Journalism Blogs

    OpenAIRE

    Veronico Nogales Tarrayo

    2014-01-01

    Although metadiscourse has been examined in different genres, such as academic papers, newspaper editorials, school textbooks, and the like, still relatively little attention has been given to the discourse of cyber-genres, particularly blogs or weblogs. Using Hyland’s (2005) model, this paper examined the interactive and the interactional metadiscourse in Philippine investigative journalism blogs where English is used as a second language or L2. The corpus analyzed was taken from 20 invest...

  16. Expanding Interaction Potentials within Virtual Environments: Investigating the Usability of Speech and Manual Input Modes for Decoupled Interaction

    Directory of Open Access Journals (Sweden)

    Alex Stedmon

    2011-01-01

    Full Text Available Distributed technologies and ubiquitous computing now support users who may be detached or decoupled from traditional interactions. In order to investigate the potential usability of speech and manual input devices, an evaluation of speech input across different user groups and a usability assessment of independent-user and collaborative-user interactions was conducted. Whilst the primary focus was on a formative usability evaluation, the user group evaluation provided a formal basis to underpin the academic rigor of the exercise. The results illustrate that using a speech interface is important in understanding user acceptance of such technologies. From the usability assessment it was possible to translate interactions and make them compatible with innovative input devices. This approach to interaction is still at an early stage of development, and the potential or validity of this interfacing concept is still under evaluation; however, as a concept demonstrator, the results of these initial evaluations demonstrate the potential usability issues of both input devices as well as highlighting their suitability for advanced virtual applications.

  17. Experimental investigation of the dynamics in a strongly interacting Fermi gas : collective modes and rotational properties

    International Nuclear Information System (INIS)

    Riedl, S.

    2009-01-01

    This thesis explores the dynamics in an ultracold strongly interacting Fermi gas. Therefore we perform measurements on collective excitation modes and rotational properties of the gas. The strongly interacting gas is realized using an optically trapped Fermi gas of 6 Li atoms, where the interactions can be tuned using a broad Feshbach resonance. Our measurements allow to test the equation of state of the gas, study the transition from hydrodynamic to collisionless behavior, reveal almost ideal hydrodynamic behavior in the nonsuperfluid phase, investigate the lifetime of angular momentum, and show superfluidity through the quenching of the moment of inertia. (author)

  18. Numerical Investigation of Ultrafast interaction between THz Fields and Crystalline Materials

    DEFF Research Database (Denmark)

    Pedersen, Pernille Klarskov; Clark, Stewart J.; Jepsen, Peter Uhd

    2014-01-01

    We present a quantum - mechanical molecular dynamics investigation of the interaction between strong single - cyc le THz pulses and ionic crystals . We find nonlinearities in the response of the CsI crystals at field strengths higher than 10 MV/cm.......We present a quantum - mechanical molecular dynamics investigation of the interaction between strong single - cyc le THz pulses and ionic crystals . We find nonlinearities in the response of the CsI crystals at field strengths higher than 10 MV/cm....

  19. Video elicitation interviews: a qualitative research method for investigating physician-patient interactions.

    Science.gov (United States)

    Henry, Stephen G; Fetters, Michael D

    2012-01-01

    We describe the concept and method of video elicitation interviews and provide practical guidance for primary care researchers who want to use this qualitative method to investigate physician-patient interactions. During video elicitation interviews, researchers interview patients or physicians about a recent clinical interaction using a video recording of that interaction as an elicitation tool. Video elicitation is useful because it allows researchers to integrate data about the content of physician-patient interactions gained from video recordings with data about participants' associated thoughts, beliefs, and emotions gained from elicitation interviews. This method also facilitates investigation of specific events or moments during interactions. Video elicitation interviews are logistically demanding and time consuming, and they should be reserved for research questions that cannot be fully addressed using either standard interviews or video recordings in isolation. As many components of primary care fall into this category, high-quality video elicitation interviews can be an important method for understanding and improving physician-patient interactions in primary care.

  20. Video Elicitation Interviews: A Qualitative Research Method for Investigating Physician-Patient Interactions

    Science.gov (United States)

    Henry, Stephen G.; Fetters, Michael D.

    2012-01-01

    We describe the concept and method of video elicitation interviews and provide practical guidance for primary care researchers who want to use this qualitative method to investigate physician-patient interactions. During video elicitation interviews, researchers interview patients or physicians about a recent clinical interaction using a video recording of that interaction as an elicitation tool. Video elicitation is useful because it allows researchers to integrate data about the content of physician-patient interactions gained from video recordings with data about participants’ associated thoughts, beliefs, and emotions gained from elicitation interviews. This method also facilitates investigation of specific events or moments during interactions. Video elicitation interviews are logistically demanding and time consuming, and they should be reserved for research questions that cannot be fully addressed using either standard interviews or video recordings in isolation. As many components of primary care fall into this category, high-quality video elicitation interviews can be an important method for understanding and improving physician-patient interactions in primary care. PMID:22412003

  1. Investigation on the interaction of catalase with sodium lauryl sulfonate and the underlying mechanisms.

    Science.gov (United States)

    Wang, Jing; Jia, Rui; Wang, Jiaxi; Sun, Zhiqiang; Wu, Zitao; Liu, Rutao; Zong, Wansong

    2018-02-01

    As a classic type of anionic surfactants, sodium lauryl sulfonate (SLS) might change the structure and function of antioxidant enzyme catalase (CAT) through their direct interactions. However, the underlying molecular mechanism is still unknown. This study investigated the direct interaction of SLS with CAT molecule and the underlying mechanisms using multi-spectroscopic methods, isothermal titration calorimetry, and molecular docking studies. No obvious effects were observed on CAT structure and activity under low SLS concentration exposure. The particle size of CAT molecule decreased and CAT activity was slightly inhibited under high SLS concentration exposure. SLS prefers to bind to the interface of CAT mainly via van der Waals' forces and hydrogen bonds. Subsequently, SLS interacts with the amino acid residues around the heme groups of CAT via hydrophobic interactions and might inhibit CAT activity. © 2017 Wiley Periodicals, Inc.

  2. Investigation on human serum albumin and Gum Tragacanth interactions using experimental and computational methods.

    Science.gov (United States)

    Moradi, Sajad; Taran, Mojtaba; Shahlaei, Mohsen

    2018-02-01

    The study on the interaction of human serum albumin and Gum Tragacanth, a biodegradable bio-polymer, has been undertaken. For this purpose, several experimental and computational methods were used. Investigation of thermodynamic parameters and mode of interactions were carried out using Fluorescence spectroscopy in 300 and 310K. Also, a Fourier transformed infrared spectra and synchronous fluorescence spectroscopy was performed. To give detailed insight of possible interactions, docking and molecular dynamic simulations were also applied. Results show that the interaction is based on hydrogen bonding and van der Waals forces. Structural analysis implies on no adverse change in protein conformation during binding of GT. Furthermore, computational methods confirm some evidence on secondary structure enhancement of protein as a presence of combining with Gum Tragacanth. Copyright © 2017 Elsevier B.V. All rights reserved.

  3. Forms of memory: Investigating the computational basis of semantic-episodic memory interactions

    NARCIS (Netherlands)

    Neville, D.A.

    2015-01-01

    The present thesis investigated how the memory systems related to the processing of semantic and episodic information combine to generate behavioural performance as measured in standard laboratory tasks. Across a series of behavioural experiment I looked at different types of interactions between

  4. Guess who? An interactive and entertaining game-like platform for investigating human emotions

    NARCIS (Netherlands)

    Ahmad, M.I.; Tariq, H.; Saeed, M.; Shahid, S.; Krahmer, E.J.

    2011-01-01

    In this paper, we discuss the design and the development of a highly customizable interactive platform ‘Guess Who’, which was designed as a tool for investigating human emotions in a variety of experimental setups. In its essence, ‘Guess Who?’ is actually a game, which includes typical game elements

  5. An Investigation of Interactive, Dialogue-Based Instruction for Undergraduate Art History

    Science.gov (United States)

    Gioffre, Penelope

    2012-01-01

    This paper explores the feasibility and efficacy of incorporating an interactive, discussion-based instructional approach into an undergraduate art history survey course and investigates effects of the new pedagogic strategy on students' demonstrated comprehension and retention of required content. The action research project follows a systematic…

  6. Bridge-in-a-Backpack(TM) task 3.1: investigating soil - structure interaction - experimental design.

    Science.gov (United States)

    2015-07-01

    This report includes fulfillment of Task 3.1 of a multi-task contract to further enhance concrete filled FRP tubes, or : the Bridge in a Backpack. Task 3 is an investigation of soil-structure interaction for the FRP tubes. Task 3.1 is the : design of...

  7. Predicting wind farm wake interaction with RANS: an investigation of the Coriolis force

    DEFF Research Database (Denmark)

    van der Laan, Paul; Hansen, Kurt Schaldemose; Sørensen, Niels N.

    2015-01-01

    A Reynolds-averaged Navier-Stokes code is used to simulate the interaction of two neighboring wind farms. The influence of the Coriolis force is investigated by modeling the atmospheric surface/boundary layer with three different methodologies. The results show that the Coriolis force is negligible...

  8. Subspace in Linear Algebra: Investigating Students' Concept Images and Interactions with the Formal Definition

    Science.gov (United States)

    Wawro, Megan; Sweeney, George F.; Rabin, Jeffrey M.

    2011-01-01

    This paper reports on a study investigating students' ways of conceptualizing key ideas in linear algebra, with the particular results presented here focusing on student interactions with the notion of subspace. In interviews conducted with eight undergraduates, we found students' initial descriptions of subspace often varied substantially from…

  9. An investigation of chitosan and sodium dodecyl sulfate interactions in acetic media

    Directory of Open Access Journals (Sweden)

    Petrović Lidija B.

    2016-01-01

    Full Text Available Polymer/surfactant association is a cooperative phenomenon where surfactant binds to the polymer in the form of aggregates, usually through electrostatic or hydrophobic forces. As already known, polyelectrolytes may interact with oppositely charged surfactants through electrostatic attraction that results in polymer/surfactant complex formation. This behavior could be desirable in wide range of application of polymer/surfactant mixtures, such as improving colloid stability, gelling, emulsification and microencapsulation. In the present study surface tension, turbidity, viscosity and electrophoretic mobility measurements were used to investigate interactions of cationic polyelectrolyte chitosan (Ch and oppositely charged anionic surfactant, sodium dodecyl sulfate (SDS, in buffered water. Obtained results show the presence of interactions that lead to Ch/SDS complexes formation at all investigated pH and for all investigated polymer concentrations. Mechanisms of interaction, as well as characteristics of formed Ch/SDS complexes, are highly dependent on their mass ratio in the mixtures, while pH has no significant influence. [Projekat Ministarstva nauke Republike Srbije, br. II46010

  10. Investigation of Interactions between Thrombin and Ten Phenolic Compounds by Affinity Capillary Electrophoresis and Molecular Docking

    Directory of Open Access Journals (Sweden)

    Qiao-Qiao Li

    2018-01-01

    Full Text Available Thrombin plays a vital role in blood coagulation, which is a key process involved in thrombosis by promoting platelet aggregation and converting fibrinogen to form the fibrin clot. In the receptor concept, drugs produce their therapeutic effects via interactions with the targets. Therefore, investigation of interaction between thrombin and small molecules is important to find out the potential thrombin inhibitor. In this study, affinity capillary electrophoresis (ACE and in silico molecular docking methods were developed to study the interaction between thrombin and ten phenolic compounds (p-hydroxybenzoic acid, protocatechuic acid, vanillic acid, gallic acid, catechin, epicatechin, dihydroquercetin, naringenin, apigenin, and baicalein. The ACE results showed that gallic acids and six flavonoid compounds had relative strong interactions with thrombin. In addition, the docking results indicated that all of optimal conformations of the six flavonoid compounds were positioned into the thrombin activity centre and had interaction with the HIS57 or SER195 which was the key residue to bind thrombin inhibitors such as argatroban. Herein, these six flavonoid compounds might have the potential of thrombin inhibition activity. In addition, the developed method in this study can be further applied to study the interactions of other molecules with thrombin.

  11. Numerical investigations on interactions between tangles of quantized vortices and second sound

    International Nuclear Information System (INIS)

    Penz, H.; Aarts, R.; de Waele, F.

    1995-01-01

    The reconnecting vortex-tangle model is used to investigate the interaction of tangles of quantized vortices with second sound. This interaction can be expressed in terms of an effective line-length density, which depends on the direction of the second-sound wave. By comparing the effective line-length densities in various directions the tangle structure can be examined. Simulations were done for flow channels with square and circular cross sections as well as for slits. The results show that in all these cases the tangles are inhomogeneous in direction as well as in space. The calculated inhomogeneities are in agreement with experiment

  12. Preliminary investigation of the interaction between radiologists and digital radiologic work stations

    International Nuclear Information System (INIS)

    Fajardo, L.L.; McNeill, K.M.; Maloney, K.; Mockbee, B.

    1987-01-01

    Using a work station built in the authors' department, they conducted an investigation into the interaction between radiologist and a digital radiologic work station. A survey provided information regarding the experience of 18 radiologists with digital technology and their expectations of its benefits. They ranked the potential attributes of digital work stations, with spatial resolution first, followed by contrast resolution, ease of use, speed, ease of learning, and cost. Observation of the radiologists' interaction with the work station has provided recommendations for implementation of functions. The authors conclude that radiologic work station user interfaces must be intuitive and support the radiologist's task without increasing the time or effort required for the task

  13. Investigation of magnetic interactions in sulfides by means of magnetic resonance

    International Nuclear Information System (INIS)

    Veen, G. van.

    1978-01-01

    Investigations have been designed to gather more information about magnetic pair interactions in sulfides by isomorphic substitution of the magnetic ions in suitable chosen diamagnetic host lattices and measurement of electron spin resonance of coupled pairs and of electron spin resonance or electron nuclear double resonance of the hyperfine interaction due to the nuclei of diamagnetic cations. The greater part of this thesis is devoted to preliminaries of magnetic resonance interpretation and sample selection and preparation. The measurements on the magnetically diluted compounds, which are described, only have an exploratory nature. (Auth.)

  14. A differential vapor-pressure equipment for investigations of biopolymer interactions

    DEFF Research Database (Denmark)

    Andersen, Kim B; Koga, Y.; Westh, Peter

    2002-01-01

    the use of high-accuracy capacitance manometers and a leak-tight system of stainless steel pipes, below-scaled valves and metal-gasket fittings, DeltaP can be measured with a resolution of about 0.5 mubar (0.05 Pa) in some applications. This sensitivity level, along with other features of the equipment......, particularly a "gas-phase titration" routine for changing the cell composition, makes it effective for the investigations of several types of biopolymer interactions. These include isothermal studies of net affinities such as the adsorption of water to proteins or membranes, the preferential interaction...

  15. In vitro and in silico investigations of the binding interactions between chlorophenols and trypsin

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Yan-Qing, E-mail: wyqing76@126.com [Jiangsu Provincial Key Laboratory of Coastal Wetland Bioresources and Environmental Protection, Yancheng City 224002, Jiangsu Province (China); Institute of Applied Chemistry and Environmental Engineering, Yancheng Teachers University, Yancheng City 224002, Jiangsu Province (China); Tan, Chun-Yun [Institute of Applied Chemistry and Environmental Engineering, Yancheng Teachers University, Yancheng City 224002, Jiangsu Province (China); Zhuang, Shu-Lin [Institute of Environmental Science, College of Environmental and Resource Science, Zhejiang University, Hangzhou 310058 (China); Zhai, Peng-Zhan; Cui, Yun; Zhou, Qiu-Hua; Zhang, Hong-Mei [Institute of Applied Chemistry and Environmental Engineering, Yancheng Teachers University, Yancheng City 224002, Jiangsu Province (China); Fei, Zhenghao [Jiangsu Provincial Key Laboratory of Coastal Wetland Bioresources and Environmental Protection, Yancheng City 224002, Jiangsu Province (China); Institute of Applied Chemistry and Environmental Engineering, Yancheng Teachers University, Yancheng City 224002, Jiangsu Province (China)

    2014-08-15

    Graphical abstract: - Highlights: • Binding interactions of five chlorophenols with trypsin were investigated. • The number of chlorine atoms of chlorophenols partly affected the binding ability of them to trypsin. • Noncovalent interactions stabilized the trypsin–chlorophenols complexes. • There was the one main binding site of trypsin for chlorophenols. - Abstract: Being the first-degree toxic pollutants, chlorophenols (CP) have potential carcinogenic and mutagenic activity and toxicity. Since there still lacks studies on molecular interactions of chlorophenols with trypsin, one major binding target of many exogenous environmental pollutants, the binding interactions between five chlorophenols, 2-CP, 2,6-DCP, 2,4,6-TCP, 2,4,6-TCP, 2,3,4,6-TCP and PCP and trypsin were characterized by the combination of multispectroscopic techniques and molecular modeling. The chlorophenols bind at the one main site of trypsin and the binding induces the changes of microenvironment and global conformations of trypsin. Different number of chloride atoms significantly affects the binding and the binding constants K{sub A} ranks as K{sub A} (2-CP) < K{sub A} (2,6-DCP) ≈ K{sub A} (2,4,6-TCP) < K{sub A} (2,3,4,6-TCP) < K{sub A} (PCP). These chlorophenols interacts with trypsin mainly through hydrophobic interactions and via hydrogen bonding interactions and aromatic–aromatic π–π stacking interaction. Our results offer insights into the binding mechanism of chlorophenols with trypsin and provide important information for possible toxicity risk of chlorophenols to human health.

  16. Interaction of albumins and heparinoids investigated by affinity capillary electrophoresis and free flow electrophoresis.

    Science.gov (United States)

    Mozafari, Mona; El Deeb, Sami; Krull, Friederike; Wildgruber, Robert; Weber, Gerhard; Reiter, Christian G; Wätzig, Hermann

    2018-02-01

    A fast and precise affinity capillary electrophoresis (ACE) method has been applied to investigate the interactions between two serum albumins (HSA and BSA) and heparinoids. Furthermore, different free flow electrophoresis methods were developed to separate the species which appears owing to interaction of albumins with pentosan polysulfate sodium (PPS) under different experimental conditions. For ACE experiments, the normalized mobility ratios (∆R/R f ), which provided information about the binding strength and the overall charge of the protein-ligand complex, were used to evaluate the binding affinities. ACE experiments were performed at two different temperatures (23 and 37°C). Both BSA and HSA interact more strongly with PPS than with unfractionated and low molecular weight heparins. For PPS, the interactions can already be observed at low mg/L concentrations (3 mg/L), and saturation is already obtained at approximately 20 mg/L. Unfractionated heparin showed almost no interactions with BSA at 23°C, but weak interactions at 37°C at higher heparin concentrations. The additional signals also appeared at higher concentrations at 37°C. Nevertheless, in most cases the binding data were similar at both temperatures. Furthermore, HSA showed a characteristic splitting in two peaks especially after interacting with PPS, which is probably attributable to the formation of two species or conformational change of HSA after interacting with PPS. The free flow electrophoresis methods have confirmed and completed the ACE experiments. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  17. Investigation of the molecular level interactions between mucins and food proteins: Spectroscopic, tribological and rheological studies

    DEFF Research Database (Denmark)

    Celebioglu, Hilal Yilmaz

    The thesis investigated the structure and molecular-level interaction of β-lactoglobulin (BLG) and mucins, representing major components of the dairy products and saliva/digestion systems, respectively. Mucins are long glycoprotein molecules responsible for the gel nature of the mucous layer covers...... epithelial surfaces throughout the body. A literature review of the interactions of different mucin types and saliva mucins with several food proteins and food protein emulsions, as well as their functional properties related to the food oral processing is presented at the first chapter of the thesis (Paper...... V). Most of the studies suggest an electrostatic attraction between positively charged food proteins with negatively charged moieties of mucins (mainly on glycosylated region of mucins). The structural changes occurring during the interaction between BLG, the major whey protein, and bovine...

  18. Investigating conversational dynamics: Interactive alignment, Interpersonal synergy, and collective task performance

    DEFF Research Database (Denmark)

    Fusaroli, Riccardo; Tylén, Kristian

    2016-01-01

    This study investigates interpersonal processes underlying dialog by comparing two approaches, interactive alignment and interpersonal synergy, and assesses how they predict collective performance in a joint task. While the interactive alignment approach highlights imitative patterns between...... and their impact on collective performance in a corpus of task-oriented conversations. The results show statistical presence of patterns relevant for both approaches. However, synergetic aspects of dialog provide the best statistical predictors of collective performance and adding aspects of the alignment approach...... does not improve the model. This suggests that structural organization at the level of the interaction plays a crucial role in task-oriented conversations, possibly constraining and integrating processes related to alignment....

  19. A pulse radiolysis investigation of the interactions of drugs and dyes with macromolecules and ribosomes

    International Nuclear Information System (INIS)

    Phillips, G.O.; Power, D.M.; Davies, J.V.

    1975-01-01

    The reactions of hydrated electrons produced during pulse radiolysis have been utilized to investigate the binding of eleven penicillins and four cephalosporins to bovine serum albumin. A primary binding site exists in the serum albumin molecule, which results indicate to be a hydrophobic cleft in the surface of the molecule separated by a distance > 0.5 mm from a cationic amino acid residue, probably lysine. Interaction of drugs with this binding site leads to a conformational change in the protein resulting in a decrease in reactivity towards hydrated electrons. Interaction of cephalosporin C and 6-amino penicillanic acid with serum albumin involves another site which consists of a cationic amino acid residue separted from anionic residue by a distance >0.7nm. Drug binding at this site induces a conformational change in serum albumin leading to greatly increased reactivity towards hydrated electrons. This increase is associated with an increased availability of disulphide bridges. Cephalosporin C also binds hydrophobically to serum a;lbumin resulting in a decrease in reactivity towards esub(aq)sup(-); such binding can be prevented by palmitic acid. Recent data clearly indicate that the pulse radiolysis technique can be further extended to investigate the nature of the interactions of bacterial ribosome suspensions with amino-acridines. Ion binding between benzoflavine and ribosomes has been examined over a wide temperature range and the thermodynamic parameters governing the interaction have been evaluated. (author)

  20. An Exploratory Investigation into the Effects of Adaptation in Child-Robot Interaction

    Science.gov (United States)

    Salter, Tamie; Michaud, François; Létourneau, Dominic

    The work presented in this paper describes an exploratory investigation into the potential effects of a robot exhibiting an adaptive behaviour in reaction to a child’s interaction. In our laboratory we develop robotic devices for a diverse range of children that differ in age, gender and ability, which includes children that are diagnosed with cognitive difficulties. As all children vary in their personalities and styles of interaction, it would follow that adaptation could bring many benefits. In this abstract we give our initial examination of a series of trials which explore the effects of a fully autonomous rolling robot exhibiting adaptation (through changes in motion and sound) compared to it exhibiting pre-programmed behaviours. We investigate sensor readings on-board the robot that record the level of ‘interaction’ that the robot receives when a child plays with it and also we discuss the results from analysing video footage looking at the social aspect of the trial.

  1. Numerical Investigation on Vortex-Structure Interaction Generating Aerodynamic Noises for Rod-Airfoil Models

    Directory of Open Access Journals (Sweden)

    FeiFei Liu

    2017-01-01

    Full Text Available In past several decades, vortex-structure interaction generated aerodynamic noise became one of the main concerns in aircraft design. In order to understand the mechanism, the acoustic analogy method combined with the RANS-based nonlinear acoustics solver (NLAS is investigated. The numerical method is firstly evaluated by the experiment data of the classic rod-airfoil model. Compared with the traditional analogy methods, the RANS/NLAS can capture the nonlinear aerodynamic noise more accurately with lower gird requirements. Then different rod-airfoil configurations were simulated to investigate the aeroacoustic interaction effects. The numerical results are in good agreement with those of the earlier experimental research. It is found that the vortex-shedding crash to the airfoil is the main reason for the noise generation which is dependent on the configurations, distance, and flow conditions.

  2. Investigating the Interaction of Water Vapour with Aminopropyl Groups on the Surface of Mesoporous Silica Nanoparticles.

    Science.gov (United States)

    Paul, Geo; Musso, Giorgia Elena; Bottinelli, Emanuela; Cossi, Maurizio; Marchese, Leonardo; Berlier, Gloria

    2017-04-05

    The interaction of water molecules with the surface of hybrid silica-based mesoporous materials is studied by 29 Si, 1 H and 13 C solid-state NMR and IR spectroscopy, with the support of ab initio calculations. The surface of aminopropyl-grafted mesoporous silica nanoparticles is studied in the dehydrated state and upon interaction with controlled doses of water vapour. Former investigations described the interactions between aminopropyl and residual SiOH groups; the present study shows the presence of hydrogen-bonded species (SiOH to NH 2 ) and weakly interacting "free" aminopropyl chains with restricted mobility, together with a small amount of protonated NH 3 + groups. The concentration of the last-named species increased upon interaction with water, and this indicates reversible and fast proton exchange from water molecules to a fraction of the amino groups. Herein, this is discussed and explained for the first time, by a combination of experimental and theoretical approaches. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  3. Effect modification, interaction and mediation: an overview of theoretical insights for clinical investigators

    Directory of Open Access Journals (Sweden)

    Corraini P

    2017-06-01

    Full Text Available Priscila Corraini,1 Morten Olsen,1 Lars Pedersen,1 Olaf M Dekkers,1,2 Jan P Vandenbroucke1–3 1Department of Clinical Epidemiology, Institute of Clinical Medicine, Aarhus University Hospital, Aarhus, Denmark; 2Leiden University Medical Center, Leiden, the Netherlands; 3Department of Epidemiology and Population Health, London School of Hygiene and Tropical Medicine, London, UK Abstract: We revisited the three interrelated epidemiological concepts of effect modification, interaction and mediation for clinical investigators and examined their applicability when using research databases. The standard methods that are available to assess interaction, effect modification and mediation are explained and exemplified. For each concept, we first give a simple “best-case” example from a randomized controlled trial, followed by a structurally similar example from an observational study using research databases. Our explanation of the examples is based on recent theoretical developments and insights in the context of large health care databases. Terminology is sometimes ambiguous for what constitutes effect modification and interaction. The strong assumptions underlying the assessment of interaction, and particularly mediation, require clinicians and epidemiologists to take extra care when conducting observational studies in the context of health care databases. These strong assumptions may limit the applicability of interaction and mediation assessments, at least until the biases and limitations of these assessments when using large research databases are clarified. Keywords: methods, epidemiology, effect modifiers, stratified analyses, health care administrative claims

  4. An investigation of the interaction between autobiographical memory and narrative practices

    OpenAIRE

    Edouard, Sherlande; Kurczek, Jake

    2016-01-01

    Edouard, S., & Kurczek, J. (2016, April). An investigation of the interaction between autobiographical memory and narrative practices. Poster Presentation at the 31st Annual LVAIC Undergraduate Psychology Conference. Bethlehem, PA. •  Autobiographical memories are at the interface of memory and narrative capacities, however in the memory literature there is a debate surrounding how much these capacities contribute to autobiographical and general narrative prac...

  5. Investigating the Role of Large-Scale Domain Dynamics in Protein-Protein Interactions.

    Science.gov (United States)

    Delaforge, Elise; Milles, Sigrid; Huang, Jie-Rong; Bouvier, Denis; Jensen, Malene Ringkjøbing; Sattler, Michael; Hart, Darren J; Blackledge, Martin

    2016-01-01

    Intrinsically disordered linkers provide multi-domain proteins with degrees of conformational freedom that are often essential for function. These highly dynamic assemblies represent a significant fraction of all proteomes, and deciphering the physical basis of their interactions represents a considerable challenge. Here we describe the difficulties associated with mapping the large-scale domain dynamics and describe two recent examples where solution state methods, in particular NMR spectroscopy, are used to investigate conformational exchange on very different timescales.

  6. Investigating the Role of Large-Scale Domain Dynamics in Protein-Protein Interactions

    Directory of Open Access Journals (Sweden)

    Elise Delaforge

    2016-09-01

    Full Text Available Intrinsically disordered linkers provide multi-domain proteins with degrees of conformational freedom that are often essential for function. These highly dynamic assemblies represent a significant fraction of all proteomes, and deciphering the physical basis of their interactions represents a considerable challenge. Here we describe the difficulties associated with mapping the large-scale domain dynamics and describe two recent examples where solution state methods, in particular NMR spectroscopy, are used to investigate conformational exchange on very different timescales.

  7. Investigation of the interaction of 85Kr with plants in model experiments

    International Nuclear Information System (INIS)

    Butkus, D.V.; Morkunas, G.S.; Bluvshtejn, D.Yu.; Styro, B.I.

    1988-01-01

    The method of investigation of the interaction of 85 Kr with plants is described using model experiments and data analysis. The dependencies of the coefficient of 85 Kr absorption by plants on the biological structure of the plant, the concentration of krypton-85 in the environment, the method of plant exposition in the environment with the 85 Kr admixture are provided. The time dependencies of 85 Kr desorption from plants are given. 4 refs.; 7 figs.; 3 tabs

  8. A detailed aerosol mixing state model for investigating interactions between mixing state, semivolatile partitioning, and coagulation

    OpenAIRE

    J. Lu; F. M. Bowman

    2010-01-01

    A new method for describing externally mixed particles, the Detailed Aerosol Mixing State (DAMS) representation, is presented in this study. This novel method classifies aerosols by both composition and size, using a user-specified mixing criterion to define boundaries between compositional populations. Interactions between aerosol mixing state, semivolatile partitioning, and coagulation are investigated with a Lagrangian box model that incorporates the DAMS approach. Model results predict th...

  9. Experimental Investigation of Mechanical Properties of Black Shales after CO2-Water-Rock Interaction

    OpenAIRE

    Lyu, Qiao; Ranjith, Pathegama Gamage; Long, Xinping; Ji, Bin

    2016-01-01

    The effects of CO2-water-rock interactions on the mechanical properties of shale are essential for estimating the possibility of sequestrating CO2 in shale reservoirs. In this study, uniaxial compressive strength (UCS) tests together with an acoustic emission (AE) system and SEM and EDS analysis were performed to investigate the mechanical properties and microstructural changes of black shales with different saturation times (10 days, 20 days and 30 days) in water dissoluted with gaseous/supe...

  10. Numerical investigations of wake interactions of two wind turbines in tandem

    Science.gov (United States)

    Qian, Yaoru; Wang, Tongguang

    2018-05-01

    Aerodynamic performance and wake interactions between two wind turbine models under different layouts are investigated numerically using large eddy simulation in conjunction with actuator line method based on the “Blind Test” series wind tunnel experiments from Norwegian University of Science and Technology. Numerical results of the power and thrust coefficients of the two rotors and wake characteristics are in good agreement with the experimental measurements. Extended investigations emphasizing the influence of different layout arrangements on the downstream rotor performance and wake development are conducted. Results show that layout arrangements have great influence on the power and thrust prediction of the downstream turbine.

  11. Photophysical and computational investigation of the intermolecular interactions of pyrene with phenothiazine and promazine

    Energy Technology Data Exchange (ETDEWEB)

    Güloğlu, Pınar; Acar, Nursel, E-mail: nursel.acar@ege.edu.tr

    2016-10-20

    Highlights: • Intermolecular interactions of pyrene with phenothiazine/promazine were investigated. • All investigated systems were optimized at ωB97XD/6-31G(d,p) level in gas phase. • The electronic transitions were determined using frontier orbitals. • Both Py–Pheno and Py–Prom are potential candidates for charge transfer systems. - Abstract: The intermolecular interactions between the pyrene (Py) (as acceptor) and phenothiazine (Pheno), promazine (Prom) (as donors) were investigated using UV/Vis absorption and fluorescence spectroscopy. Fluorescence quenching rate constants for Py–Pheno and Py–Prom systems have been calculated approximately 10{sup 10} M{sup −1} s{sup −1}, indicating diffusion controlled processes. A computational investigation has also been carried out in gas phase at ωB97XD/6-31G(d,p) level. Time-dependent density functional theory (TDDFT) was used to calculate the electronic transitions of molecules at B3LYP/6-311++G(d,p) level. Total electronic energies, complexation energies, free energy differences, excitation wavelengths, and HOMO–LUMO energy gaps are discussed in gas phase. Analyses of first excited singlet states have indicated charge transfers transitions between Py and Pheno, Prom through π–π stacking in gas phase at 433 nm and 466 nm, respectively. Due to its charge transfer character, Py–Pheno and Py–Prom systems seem to be appropriate models to investigate and design photosensitive materials.

  12. Intermolecular interactions between σ- and π-holes of bromopentafluorobenzene and pyridine: computational and experimental investigations.

    Science.gov (United States)

    Yang, Fang-Ling; Yang, Xing; Wu, Rui-Zhi; Yan, Chao-Xian; Yang, Fan; Ye, Weichun; Zhang, Liang-Wei; Zhou, Pan-Pan

    2018-04-25

    The characters of σ- and π-holes of bromopentafluorobenzene (C6F5Br) enable it to interact with an electron-rich atom or group like pyridine which possesses an electron lone-pair N atom and a π ring. Theoretical studies of intermolecular interactions between C6F5Br and C5H5N have been carried out at the M06-2X/aug-cc-pVDZ level without and with the counterpoise method, together with single point calculations at M06-2X/TZVP, wB97-XD/aug-cc-pVDZ and CCSD(T)/aug-cc-pVDZ levels. The σ- and π-holes of C6F5Br exhibiting positive electrostatic potentials make these sites favorably interact with the N atom and the π ring of C5H5N with negative electrostatic potentials, leading to five different dimers connected by a σ-holen bond, a σ-holeπ bond or a π-holeπ bond. Their geometrical structures, characteristics, nature and spectroscopy behaviors were systematically investigated. EDA analyses reveal that the driving forces in these dimers are different. NCI, QTAIM and NBO analyses confirm the existence of intermolecular interactions formed via σ- and π-holes of C6F5Br and the N atom and the π ring of C5H5N. The experimental IR and Raman spectra gave us important information about the formation of molecular complexes between C6F5Br and C5H5N. We expect that the results could provide valuable insights into the investigation of intermolecular interactions involving σ- and π-holes.

  13. Combined fluorescence and electrochemical investigation on the binding interaction between organic acid and human serum albumin

    Institute of Scientific and Technical Information of China (English)

    CHEN Yan-Min; GUO Liang-Hong

    2009-01-01

    Human serum albumin (HSA) is a plasma protein responsible for the binding and transport of fatty acids and a variety of exogenous chemicals such as drugs and environmental pollutants. Such binding plays a crucial role in determining the ADME (absorption, distribution, metabolism, and excretion) and bioavailability of the pollutants. We report investigation on the binding interaction between HSA and acetic acid (C2), octanoic acid (C8) and dodecanoic acid (C12) by the combination of site-specific fluorescent probe, tryptophan intrinsic fluorescence and tyrosine electrochemistry. Two fluorescent probes, dansylamide and dansyl-L-proline, were employed in the displacement measurement to study fatty acid interaction with the two drug-binding sites on HSA. Intrinsic fluorescence of tryptophan in HSA was monitored upon addition of the fatty acids into HSA. Electrocatalyzed response of the tyrosine residues in HSA by a redox mediator was used to investigate the binding interaction. Qualitatively, observations made by the three approaches are very similar. HSA did not show any change in either fluorescence or electrochemistry after mixing with C2, suggesting there is no significant interaction with the short-chain fatty acid. For C8, the measured signal dropped in a single-exponential fashion, indicative of independent and non-cooperative binding. The calculated association constant and binding ratio is 3.1×106 L/mol and 1 with drug binding Site I, 1.1×107 L/mol and 1 with Site II, and 7.0×104 L/mol and 4 with the tryptophan site. The measurement with C12 displayed multiple phases of fluorescence change, suggesting cooperativity and allosteric effect of C12 binding. These results correlate well with those obtained by the established methods, and validate the new approach as a viable tool to study the interactions of environmental pollutants with biological molecules.

  14. Atomic force imaging microscopy investigation of the interaction of ultraviolet radiation with collagen thin films

    Science.gov (United States)

    Stylianou, A.; Yova, D.; Alexandratou, E.; Petri, A.

    2013-02-01

    Collagen is the major fibrous protein in the extracellular matrix and consists a significant component of skin, bone, cartilage and tendon. Due to its unique properties, it has been widely used as scaffold or culture substrate for tissue regeneration or/and cell-substrate interaction studies. The ultraviolet light-collagen interaction investigations are crucial for the improvement of many applications such as that of the UV irradiation in the field of biomaterials, as sterilizing and photo-cross-linking method. The aim of this paper was to investigate the mechanisms of UV-collagen interactions by developing a collagen-based, well characterized, surface with controlled topography of collagen thin films in the nanoscale range. The methodology was to quantify the collagen surface modification induced on ultraviolet radiation and correlate it with changes induced in cells. Surface nanoscale characterization was performed by Atomic Force Microscopy (AFM) which is a powerful tool and offers quantitative and qualitative information with a non-destructive manner. In order to investigate cells behavior, the irradiated films were used for in vitro cultivation of human skin fibroblasts and the cells morphology, migration and alignment were assessed with fluorescence microscopy imaging and image processing methods. The clarification of the effects of UV light on collagen thin films and the way of cells behavior to the different modifications that UV induced to the collagen-based surfaces will contribute to the better understanding of cell-matrix interactions in the nanoscale and will assist the appropriate use of UV light for developing biomaterials.

  15. Quantum chemical investigation of attractive non-covalent interactions between halomethanes and rare gases.

    Science.gov (United States)

    McAllister, Linda J; Bruce, Duncan W; Karadakov, Peter B

    2012-11-01

    The interaction between rare gas atoms and trifluoromethylhalides and iodomethane is investigated using ab initio and density functional theory (DFT) methods: MP2, CCSD, B3LYP, M06, M06-L, M06-2X, M06-HF, X3LYP, PBE, B97-D, B3LYP-D3, and M06-L-D3, in combination with the aug-cc-pVTZ and aug-cc-pVTZ-PP basis sets. A weakly attractive interaction is observed for all complexes, whose strength increases as the rare gas and halogen bond donor become more polarizable, and as the group bound to the halogen bond donor becomes more electron-withdrawing. The separation between iodine and krypton in the complex CF(3)I···Kr, calculated at the MP2 and B3LYP-D3 levels of theory, agrees very well with recent experimental results (Stephens, S. L.; Walker, N. R.; Legon, A. C. J. Chem. Phys. 2011, 135, 224309). Analysis of the ability of theoretical methods to account for the dispersion interaction present in these complexes leads to the conclusion that MP2 and B3LYP-D3, which produce very similar results, are the better performing methods, followed by B97-D and the M06 suite of functionals; the popular B3LYP as well as X3LYP perform poorly and significantly underestimate the interaction strength. The orbitals responsible for the interaction are identified through Edmiston-Ruedenberg localization; it is shown that, by combining the key orbitals, it is possible to observe a molecular orbital picture of a σ-hole interaction.

  16. Investigation of hyperfine interactions in DNA nitrogenous bases using perturbed angular correlation spectroscopy

    International Nuclear Information System (INIS)

    Silva, Andreia dos Santos; Carbonari, Artur Wilson; Lapolli, Andre Luis; Saxena, Rajendra Narain; Saitovitch, Henrique

    2013-01-01

    Perturbed γγ angular correlations (PAC) spectroscopy has been used to study the DNA nitrogenous bases (adenine, cytosine, guanine, thymine), using 111 In→ 111 Cd and 111m Cd→ 111 Cd probe nuclei. One of the advantages of applying PAC technique to biological molecules is that the experiments can be carried out on molecules in aqueous solution [1], approaching the function of molecules under conditions that are close to in vivo conditions. The measurements were carried out for DNA nitrogenous bases molecules at 295 K and 77 K in order to investigate dynamic and static hyperfine interactions, respectively. The interpretation of the results was based on the measurements of dynamic interaction characterized by the decay constant from which valuable information on the macroscopic behavior of the molecules was obtained [2; 3]. On the other hand, PAC measurements at low temperature showed interaction frequency (ν Q ), asymmetry parameter (η) and the distribution of the quadrupole frequency (δ). These parameters provide a local microscopic description of the chemical environment in the neighborhood of the probe nuclei. Results showed differences in the hyperfine interactions of probe nuclei bound to the studied biomolecules. Such differences were observed by variations in the hyperfine parameters, which depended on the type of biomolecule and the results also showed that the probe nuclei bounded at the molecules in some cases and at others did not. (author)

  17. Investigating interactional competence using video recordings in ESL classrooms to enhance communication

    Science.gov (United States)

    Krishnasamy, Hariharan N.

    2016-08-01

    Interactional competence, or knowing and using the appropriate skills for interaction in various communication situations within a given speech community and culture is important in the field of business and professional communication [1], [2]. Similar to many developing countries in the world, Malaysia is a growing economy and undergraduates will have to acquire appropriate communication skills. In this study, two aspects of the interactional communicative competence were investigated, that is the linguistic and paralinguistic behaviors in small group communication as well as conflict management in small group communication. Two groups of student participants were given a problem-solving task based on a letter of complaint. The two groups of students were video recorded during class hours for 40 minutes. The videos and transcription of the group discussions were analyzed to examine the use of language and interaction in small groups. The analysis, findings and interpretations were verified with three lecturers in the field of communication. The results showed that students were able to accomplish the given task using verbal and nonverbal communication. However, participation was unevenly distributed with two students talking for less than a minute. Negotiation was based more on alternative views and consensus was easily achieved. In concluding, suggestions are given on ways to improve English language communication.

  18. Investigating local network interactions underlying first- and second-order processing.

    Science.gov (United States)

    Ellemberg, Dave; Allen, Harriet A; Hess, Robert F

    2004-01-01

    We compared the spatial lateral interactions for first-order cues to those for second-order cues, and investigated spatial interactions between these two types of cues. We measured the apparent modulation depth of a target Gabor at fixation, in the presence and the absence of horizontally flanking Gabors. The Gabors' gratings were either added to (first-order) or multiplied with (second-order) binary 2-D noise. Apparent "contrast" or modulation depth (i.e., the perceived difference between the high and low luminance regions for the first-order stimulus, or between the high and low contrast regions for the second-order stimulus) was measured with a modulation depth-matching paradigm. For each observer, the first- and second-order Gabors were equated for apparent modulation depth without the flankers. Our results indicate that at the smallest inter-element spacing, the perceived reduction in modulation depth is significantly smaller for the second-order than for the first-order stimuli. Further, lateral interactions operate over shorter distances and the spatial frequency and orientation tuning of the suppression effect are broader for second- than first-order stimuli. Finally, first- and second-order information interact in an asymmetrical fashion; second-order flankers do not reduce the apparent modulation depth of the first-order target, whilst first-order flankers reduce the apparent modulation depth of the second-order target.

  19. Intermolecular interaction of fosinopril with bovine serum albumin (BSA): The multi-spectroscopic and computational investigation.

    Science.gov (United States)

    Zhou, Kai-Li; Pan, Dong-Qi; Lou, Yan-Yue; Shi, Jie-Hua

    2018-04-16

    The intermolecular interaction of fosinopril, an angiotensin converting enzyme inhibitor with bovine serum albumin (BSA), has been investigated in physiological buffer (pH 7.4) by multi-spectroscopic methods and molecular docking technique. The results obtained from fluorescence and UV absorption spectroscopy revealed that the fluorescence quenching mechanism of BSA induced by fosinopril was mediated by the combined dynamic and static quenching, and the static quenching was dominant in this system. The binding constant, K b , value was found to lie between 2.69 × 10 3 and 9.55 × 10 3  M -1 at experimental temperatures (293, 298, 303, and 308 K), implying the low or intermediate binding affinity between fosinopril and BSA. Competitive binding experiments with site markers (phenylbutazone and diazepam) suggested that fosinopril preferentially bound to the site I in sub-domain IIA on BSA, as evidenced by molecular docking analysis. The negative sign for enthalpy change (ΔH 0 ) and entropy change (ΔS 0 ) indicated that van der Waals force and hydrogen bonds played important roles in the fosinopril-BSA interaction, and 8-anilino-1-naphthalenesulfonate binding assay experiments offered evidence of the involvements of hydrophobic interactions. Moreover, spectroscopic results (synchronous fluorescence, 3-dimensional fluorescence, and Fourier transform infrared spectroscopy) indicated a slight conformational change in BSA upon fosinopril interaction. Copyright © 2018 John Wiley & Sons, Ltd.

  20. A method for investigating protein-protein interactions related to Salmonella typhimurium pathogenesis

    Energy Technology Data Exchange (ETDEWEB)

    Chowdhury, Saiful M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Shi, Liang [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Yoon, Hyunjin [Dartmouth College, Hanover, NH (United States); Ansong, Charles [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Rommereim, Leah M. [Dartmouth College, Hanover, NH (United States); Norbeck, Angela D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Auberry, Kenneth J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Moore, R. J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Adkins, Joshua N. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Heffron, Fred [Oregon Health and Science Univ., Portland, OR (United States); Smith, Richard D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

    2009-02-10

    We successfully modified an existing method to investigate protein-protein interactions in the pathogenic bacterium Salmonella typhimurium (STM). This method includes i) addition of a histidine-biotin-histidine tag to the bait proteins via recombinant DNA techniques; ii) in vivo cross-linking with formaldehyde; iii) tandem affinity purification of bait proteins under fully denaturing conditions; and iv) identification of the proteins cross-linked to the bait proteins by liquid-chromatography in conjunction with tandem mass-spectrometry. In vivo cross-linking stabilized protein interactions permitted the subsequent two-step purification step conducted under denaturing conditions. The two-step purification greatly reduced nonspecific binding of non-cross-linked proteins to bait proteins. Two different negative controls were employed to reduce false-positive identification. In an initial demonstration of this approach, we tagged three selected STM proteins- HimD, PduB and PhoP- with known binding partners that ranged from stable (e.g., HimD) to transient (i.e., PhoP). Distinct sets of interacting proteins were identified with each bait protein, including the known binding partners such as HimA for HimD, as well as anticipated and unexpected binding partners. Our results suggest that novel protein-protein interactions may be critical to pathogenesis by Salmonella typhimurium. .

  1. Well-Controlled Cell-Trapping Systems for Investigating Heterogeneous Cell-Cell Interactions.

    Science.gov (United States)

    Kamiya, Koki; Abe, Yuta; Inoue, Kosuke; Osaki, Toshihisa; Kawano, Ryuji; Miki, Norihisa; Takeuchi, Shoji

    2018-03-01

    Microfluidic systems have been developed for patterning single cells to study cell-cell interactions. However, patterning multiple types of cells to understand heterogeneous cell-cell interactions remains difficult. Here, it is aimed to develop a cell-trapping device to assemble multiple types of cells in the well-controlled order and morphology. This device mainly comprises a parylene sheet for assembling cells and a microcomb for controlling the cell-trapping area. The cell-trapping area is controlled by moving the parylene sheet on an SU-8 microcomb using tweezers. Gentle downward flow is used as a driving force for the cell-trapping. The assembly of cells on a parylene sheet with round and line-shaped apertures is demonstrated. The cell-cell contacts of the trapped cells are then investigated by direct cell-cell transfer of calcein via connexin nanopores. Finally, using the device with a system for controlling the cell-trapping area, three different types of cells in the well-controlled order are assembled. The correct cell order rate obtained using the device is 27.9%, which is higher than that obtained without the sliding parylene system (0.74%). Furthermore, the occurrence of cell-cell contact between the three cell types assembled is verified. This cell-patterning device will be a useful tool for investigating heterogeneous cell-cell interactions. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Investigation of processes of interaction relativistic electrons with the solutions of organic dyes

    International Nuclear Information System (INIS)

    Buki, A.Yu.; Gokov, S.P.; Kazarinov, Yu.G.; Kalenik, S.A.; Kasilov, V.I.; Kochetov, S.S.; Makhnenko, P.L.; Mel'nitskiy, I.V.; Tverdohvalov, A.V.; Tsyatsko, V.V.; Shopen, O.A.

    2014-01-01

    Investigation of the processes of interaction of ionizing radiation with complex organic objects can solve a number of fundamental and applied problems in radiation physics, chemistry and biology. In this work we investigated the dose dependence (dose range 1...5MRad) optical density relative concentrations of water, alcohol and glycerine solution following organic dyes: methylene blue - C 16 H 18 N 3 SCl and methyl orange - C 14 H 14 N 3 O 3 SNa, irradiated with an electron beam with an energy of 16MeV. In the analysis of absorption spectra, it was found that water solutions of dyes have less resistance to radiation as compared with the alcohol and glycerol. Also, all solutions of methyl orange less radiation resistant than the methylene blue solution. Analysis of the spectra showed that these relationships are close to linear in the range of doses. To understand the physical and chemical processes occurring in the interaction of relativistic electrons with the studied organic objects were performed the computer simulations of the energy spectra of ions formed due to breaking the chemical bonds of molecules of dye solutions using the program SRIM-2010. The analysis showed that radiation - stimulated chemical processes play a major role in the destruction of the source of organic dye molecules. The remaining processes (interaction of electrons and nuclei, the cascade processes) accounts for about 10% of all molecular breaks.

  3. Importance of core/concrete interactions for German risk investigations and experimental verification

    International Nuclear Information System (INIS)

    Rohde, J.; Hicken, E.F.; Friederichs, H.G.; Schroedl, E.

    1987-01-01

    The relevance of Molten Core Concrete Interactions (MCCI) for risk oriented investigations of German LWR-plants is evaluated. The problems of MCCI have been intensely investigated since the mid seventies in connection with the German Risk Study, Phase A and B on PWR plants of German design. Many examinations of both theoretical and experimental nature have led to the development of computer codes like WECHSL. The basis for verification is the internationally well accepted BETA experiment. Code WECHSL and the knowledge gained from the BETA experiment have been applied for the final investigations in German Risk Study, Phase B. Knowledge gained will be illustrated and its importance MCCI for German LWR-concepts will be shown

  4. Experimental and theoretical investigations of soil-structure interaction effect at HDR-reactor-building

    International Nuclear Information System (INIS)

    Wassermann, K.

    1983-01-01

    Full-scale dynamic testing on intermediate and high levels was performed at the Heissdampfreaktor (HDR) in 1979. Various types of dynamic forces were applied and response of the reactor containment structure and internal components was measured. Precalculations of dynamic behaviour and response of the structure were made through different mathematical models for the structure and the underlying soil. Soil-Structure Interaction effects are investigated and different theoretical models are compared with experimental results. In each model, the soil is represented by springs attached to the structural model. Stiffnesses of springs are calculated by different finite-element idealizations and half-space approximations. Eigenfrequencies and damping values related to interaction effects (translation, rocking, torsion) are identified from test results. The comparisons of dynamic characteristic of the soil-structure system between precalculations and test results show good agreement in general. (orig.)

  5. Unsteady Aerodynamic Investigation of the Propeller-Wing Interaction for a Rocket Launched Unmanned Air Vehicle

    Directory of Open Access Journals (Sweden)

    G. Q. Zhang

    2013-01-01

    Full Text Available The aerodynamic characteristics of propeller-wing interaction for the rocket launched UAV have been investigated numerically by means of sliding mesh technology. The corresponding forces and moments have been collected for axial wing placements ranging from 0.056 to 0.5D and varied rotating speeds. The slipstream generated by the rotating propeller has little effects on the lift characteristics of the whole UAV. The drag can be seen to remain unchanged as the wing's location moves progressively closer to the propeller until 0.056D away from the propeller, where a nearly 20% increase occurred sharply. The propeller position has a negligible effect on the overall thrust and torque of the propeller. The efficiency affected by the installation angle of the propeller blade has also been analyzed. Based on the pressure cloud and streamlines, the vortices generated by propeller, propeller-wing interaction, and wing tip have also been captured and analyzed.

  6. Geomechanical analyses to investigate wellbore/mine interactions in the Potash Enclave of Southeastern New Mexico.

    Energy Technology Data Exchange (ETDEWEB)

    Ehgartner, Brian L.; Bean, James E. (Sandia Staffing Alliance, LLC, Albuquerque, NM); Arguello, Jose Guadalupe, Jr.; Stone, Charles Michael

    2010-04-01

    Geomechanical analyses have been performed to investigate potential mine interactions with wellbores that could occur in the Potash Enclave of Southeastern New Mexico. Two basic models were used in the study; (1) a global model that simulates the mechanics associated with mining and subsidence and (2) a wellbore model that examines the resulting interaction impacts on the wellbore casing. The first model is a 2D approximation of a potash mine using a plane strain idealization for mine depths of 304.8 m (1000 ft) and 609.6 m (2000 ft). A 3D wellbore model then considers the impact of bedding plane slippage across single and double cased wells cemented through the Salado formation. The wellbore model establishes allowable slippage to prevent casing yield.

  7. A versatile tunable microcavity for investigation of light-matter interaction

    Science.gov (United States)

    Mochalov, Konstantin E.; Vaskan, Ivan S.; Dovzhenko, Dmitriy S.; Rakovich, Yury P.; Nabiev, Igor

    2018-05-01

    Light-matter interaction between a molecular ensemble and a confined electromagnetic field is a promising area of research, as it allows light-control of the properties of coupled matter. The common way to achieve coupling is to place an ensemble of molecules or quantum emitters into a cavity. In this approach, light-matter coupling is evidenced by modification of the spectral response of the emitter, which depends on the strength of interaction between emitter and cavity modes. However, there is not yet a user-friendly approach that allows the study of a large number of different and replaceable samples in a wide optical range using the same resonator. Here, we present the design of such a device that can speed up and facilitate investigation of light-matter interaction ranging from weak to strong coupling regimes in ultraviolet-visible and infrared (IR) spectral regions. The device is based on a tunable unstable λ/2 Fabry-Pérot microcavity consisting of plane and convex mirrors that satisfy the plane-parallelism condition at least at one point of the curved mirror and minimize the mode volume. Fine tuning of the microcavity length is provided by a Z-piezopositioner in a range up to 10 μm with a step of several nm. This design makes a device a versatile instrument that ensures easy finding of optimal conditions for light-matter interaction for almost any sample in both visible and IR areas, enabling observation of both electronic and vibrational couplings with microcavity modes thus paving the way to investigation of various coupling effects including Raman scattering enhancement, modification of chemical reactivity rate, lasing, and long-distance nonradiative energy transfer.

  8. Biochemical and biophysical investigations of the interaction between human glucokinase and pro-apoptotic BAD.

    Science.gov (United States)

    Rexford, Alix; Zorio, Diego A R; Miller, Brian G

    2017-01-01

    The glycolytic enzyme glucokinase (GCK) and the pro-apoptotic protein BAD reportedly reside within a five-membered complex that localizes to the mitochondria of mammalian hepatocytes and pancreatic β-cells. Photochemical crosslinking studies using a synthetic analog of BAD's BH3 domain and in vitro transcription/translation experiments support a direct interaction between BAD and GCK. To investigate the biochemical and biophysical consequences of the BAD:GCK interaction, we developed a method for the production of recombinant human BAD. Consistent with published reports, recombinant BAD displays high affinity for Bcl-xL (KD = 7 nM), and phosphorylation of BAD at S118, within the BH3 domain, abolishes this interaction. Unexpectedly, we do not detect association of recombinant, full-length BAD with recombinant human pancreatic GCK over a range of protein concentrations using various biochemical methods including size-exclusion chromatography, chemical cross-linking, analytical ultracentrifugation, and isothermal titration calorimetry. Furthermore, fluorescence polarization assays and isothermal titration calorimetry detect no direct interaction between GCK and BAD BH3 peptides. Kinetic characterization of GCK in the presence of high concentrations of recombinant BAD show modest (BAD BH3 peptides. These results raise questions as to the mechanism of action of stapled peptide analogs modeled after the BAD BH3 domain, which reportedly enhance the Vmax value of GCK and stimulate insulin release in BAD-deficient islets. Based on our results, we postulate that the BAD:GCK interaction, and any resultant regulatory effect(s) upon GCK activity, requires the participation of additional members of the mitochondrial complex.

  9. Experimental investigation of gravity wave turbulence and of non-linear four wave interactions..

    Science.gov (United States)

    Berhanu, Michael

    2017-04-01

    Using the large basins of the Ecole Centrale de Nantes (France), non-linear interactions of gravity surface waves are experimentally investigated. In a first part we study statistical properties of a random wave field regarding the insights from the Wave Turbulence Theory. In particular freely decaying gravity wave turbulence is generated in a closed basin. No self-similar decay of the spectrum is observed, whereas its Fourier modes decay first as a time power law due to nonl-inear mechanisms, and then exponentially due to linear viscous damping. We estimate the linear, non-linear and dissipative time scales to test the time scale separation. By estimation of the mean energy flux from the initial decay of wave energy, the Kolmogorov-Zakharov constant of the weak turbulence theory is evaluated. In a second part, resonant interactions of oblique surface gravity waves in a large basin are studied. We generate two oblique waves crossing at an acute angle. These mother waves mutually interact and give birth to a resonant wave whose properties (growth rate, resonant response curve and phase locking) are fully characterized. All our experimental results are found in good quantitative agreement with four-wave interaction theory. L. Deike, B. Miquel, P. Gutiérrez, T. Jamin, B. Semin, M. Berhanu, E. Falcon and F. Bonnefoy, Role of the basin boundary conditions in gravity wave turbulence, Journal of Fluid Mechanics 781, 196 (2015) F. Bonnefoy, F. Haudin, G. Michel, B. Semin, T. Humbert, S. Aumaître, M. Berhanu and E. Falcon, Observation of resonant interactions among surface gravity waves, Journal of Fluid Mechanics (Rapids) 805, R3 (2016)

  10. Investigation of Ion-Solvent Interactions in Nonaqueous Electrolytes Using in Situ Liquid SIMS

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yanyan; Su, Mao; Yu, Xiaofei; Zhou, Yufan; Wang, Jungang; Cao, Ruiguo; Xu, Wu; Wang, Chongmin; Baer, Donald R.; Borodin, Oleg; Xu, Kang; Wang, Yanting; Wang, Xue-Lin; Xu, Zhijie; Wang, Fuyi; Zhu, Zihua

    2018-02-06

    Ion-solvent interactions in non-aqueous electrolytes are of fundamental interest and practical importance, yet debates regarding ion preferential solvation and coordination numbers persist. In this work, in situ liquid SIMS was used to examine ion-solvent interactions in three representative electrolytes, i.e., lithium hexafluorophosphate (LiPF6) at 1.0 M in ethylene carbonate (EC)-dimethyl carbonate (DMC), and lithium bis(fluorosulfonyl)imide (LiFSI) at both low (1.0 M) and high (4.0 M) concentrations in 1,2-dimethoxyethane (DME). In the positive ion mode, solid molecular evidence strongly supports the preferential solvation of Li+ by EC. Besides, from the negative spectra, we also found that PF6- forms association with EC, which has been neglected by previous studies due to the relatively weak interaction. While in both LiFSI in DME electrolytes, no evidence shows that FSI- is associated with DME. Furthermore, strong salt ion cluster signals were observed in the 1.0 M LiPF6 in EC-DMC electrolyte, suggesting that a significant amount of Li+ ions stay in vicinity of anions. In sharp comparison, weak ion cluster signals were detected in dilute LiFSI in DME electrolyte, suggesting most ions are well separated, in agreement with our molecular dynamics (MD) simulation results. These findings indicate that with virtues of little bias on detecting positive and negative ions and the capability of directly analyzing concentrated electrolytes, in situ liquid SIMS is a powerful tool that can provide key evidence for improved understanding on the ion-solvent interactions in non-aqueous electrolytes. Therefore, we anticipate wide applications of in situ liquid SIMS on investigations of various ion-solvent interactions in the near future.

  11. Molecular dynamics investigation of nanoscale substrate topography and its interaction with liquids

    Science.gov (United States)

    Cordeiro Rodrigues, Jhonatam

    Nanotechnology has been presenting successful applications in several areas. However, experimentation with nanoscale materials is costly and limited in analysis capability. This research investigates the use of molecular dynamics (MD) simulations to model and study nanomaterials and manufacturing processes. MD simulations are employed to reduce cost, optimize design, increase productivity and allow for the investigation of material interactions not yet observable through experimentation. This work investigates the interaction of water with substrates at the nanoscale. The effect of temperature, droplet impingement velocities and size, as well as substrate material, are investigated at the nanoscale. Several substrate topography designs were modeled to reveal their influence on the wettability of the substrate. Nanoscale gold and silicon substrates are more hydrophilic at higher temperatures than at room temperature. The reduction in droplet diameter increases its wettability. High impingement velocity of droplets does not influence final wettability of substrates but induces higher diffusion rates of droplets in a heated environment. Droplets deposited over a gradient of surface exposure presents spontaneous movement. The Leidenfrost effect was investigated at the nanoscale. Droplets of 4 and 10nm in diameter presented behaviors pertinent to the Leidenfrost effect at 373K, significantly lower than at micro scale and of potential impact to the field. Topographical features were manipulated using superhydrophobic coating resulting in micro whiskers. Nanoimprint lithography (NIL) was used to manufacture substrate topographies at the nanoscale. Water droplets were deposited on the substrates and their wettability was measured using droplet contact angles. Lower surface area exposure resulted in higher contact angles. The experimental relationships between surface topography and substrate wettability were used to validate the insights gained from MD simulations for

  12. Interaction of water with (silico)aluminophosphate zeotypes: a comparative investigation using dispersion-corrected DFT.

    Science.gov (United States)

    Fischer, Michael

    2016-06-21

    Porous aluminophosphates (AlPOs) and silicoaluminophosphates (SAPOs) with zeolite-like structures have received considerable attention as potential adsorbents for heat transformation applications using water adsorption/desorption cycles. Since a detailed experimental characterisation of the water adsorption properties has only been performed for some of these materials, such as AlPO-18 (AEI topology) and SAPO-34 (CHA topology), more systematic insights regarding the influence of the pore topology and (for SAPOs) the arrangement of the framework protons on the affinity towards water are lacking. To study the relationships between structure and properties in more detail, the interaction of water with six structurally different AlPOs (with AEI, AFX, CHA, ERI, GIS, RHO topologies) and their SAPO analogues was investigated using dispersion-corrected density-functional theory (DFT-D) calculations. Different possible locations of silicon atoms and charge-balancing protons were considered for the SAPO systems. The calculations for SAPOs at low water loadings (one H2O molecule per framework proton) revealed that the interaction energies exhibit a considerable variation, ranging from -75 to -100 kJ mol(-1) (per water molecule). The differences in interaction energy were rationalised with the different structural environment of the framework protons at which the water molecules are adsorbed. At high water uptakes (near saturation), interaction energies in the range of -65 kJ mol(-1) were obtained for all AlPOs, and there was no evidence for a marked influence of pore size and/or topology on the interaction strength. The interaction of water with SAPOs was found to be approximately 5 kJ mol(-1) stronger than for AlPOs due to an increased contribution of electrostatic interactions. An analysis of the structural changes upon water adsorption revealed striking differences between the distinct topologies, with the materials with GIS and RHO topologies being distorted much more

  13. Investigation of sodium concrete interaction and the effect of different by-products

    International Nuclear Information System (INIS)

    Schultheiss, G.F.; Fritzke, H.W.

    1983-01-01

    For heat transfer at temperatures of more than 770 K sodium or sodium-potassium alloy is used in fast breeder reactors or solar power plants. In case of leakage of hot liquid metal concrete is loaded thermally and chemically. The interaction of sodium with several concretes of different composition has been investigated experimentally and theoretically. Especially the quartz content of concrete has a significant influence on reaction behavior. Quartz-containing concrete specimens were severely damaged at temperatures of more than 600 0 C. Computer code modelling shows good agreement with experiments. (orig.) [de

  14. UCN storage experiment for the investigation of the anomalous interaction with wall surfaces

    International Nuclear Information System (INIS)

    Kawabata, Yuji; Utsuro, Masahiko; Steyerl, A.; Malik, S.S.; Geltenbort, P.; Neumair, S.; Nesvizhevsky, V.V.

    1997-01-01

    The UCN experiment for the investigation of the anomalous interaction with wall surfaces was performed in the ILL UCN source. UCN is monochromated by the gravity and stored in the spectrometer with rectangular trap which is the Fombrin-grease coated box of 67x67cm 2 cross section and 20cm height. The measured energy distribution of stored UCN shows the indication of 'initial micro-heating'. The order of energy gain is ∼ 10 -10 eV in the initial several 100sec of storage. (author)

  15. Investigations of fast neutron production by 190 GeV/c muon interactions on graphite target

    CERN Document Server

    Chazal, V; Cook, B; Henrikson, H; Jonkmans, G; Paic, A; Mascarenhas, N; Vogel, P; Vuilleumier, J L

    2002-01-01

    The production of fast neutrons (1 MeV - 1 GeV) in high energy muon-nucleus interactions is poorly understood, yet it is fundamental to the understanding of the background in many underground experiments. The aim of the present experiment (CERN NA55) was to measure spallation neutrons produced by 190 GeV/c muons scattering on carbon target. We have investigated the energy spectrum and angular distribution of spallation neutrons, and we report the result of our measurement of the neutron production differential cross section.

  16. Investigations of fast neutron production by 190 GeV/c muon interactions on different targets

    International Nuclear Information System (INIS)

    Chazal, V.; Boehm, F.; Cook, B.; Henrikson, H.; Jonkmans, G.; Paic, A.; Mascarenhas, N.; Vogel, P.; Vuilleumier, J.-L.

    2002-01-01

    The production of fast neutrons (1 MeV-1 GeV) in high-energy muon-nucleus interactions is poorly understood, yet it is fundamental to the understanding of the background in many underground experiments. The aim of the present experiment (CERN NA55) was to measure spallation neutrons produced by 190 GeV/c muons scattering on carbon, copper and lead targets. We have investigated the energy spectrum and angular distribution of spallation neutrons, and we report the result of our measurement of the neutron production differential cross-section

  17. Investigation of fluid-structure interaction with various types of junction coupling

    Science.gov (United States)

    Ahmadi, A.; Keramat, A.

    2010-10-01

    In this study of water hammer with fluid-structure interaction (FSI) the main aim was the investigation of junction coupling effects. Junction coupling effects were studied in various types of discrete points, such as pumps, valves and branches. The emphasis was placed on an unrestrained pump and branch in the system, and the associated relations were derived for modelling them. Proposed relations were considered as boundary conditions for the numerical modelling which was implemented using the finite element method for the structural equations and the method of characteristics for the hydraulic equations. The results can be used by engineers in finding where junction coupling is significant.

  18. Theoretical investigation of the weak interaction between graphene and alcohol solvents

    Science.gov (United States)

    Wang, Haining; Chen, Sian; Lu, Shanfu; Xiang, Yan

    2017-05-01

    The dispersion of graphene in five different alcohol solvents was investigated by evaluating the binding energy between graphene and alcohol molecules using DFT-D method. The calculation showed the most stable binding energy appeared at the distance of ∼3.5 Å between graphene and alcohol molecules and increased linearly as changing the alcohol from methanol to 1-pentanol. The weak interaction was further graphically illustrated using the reduced density gradient method. The theoretical study revealed alcohols with more carbon atoms could be a good starting point for screening suitable solvents for graphene dispersion.

  19. Investigation of the proton-neutron interaction by high-precision nuclear mass measurements

    CERN Multimedia

    Savreux, R P; Akkus, B

    2007-01-01

    We propose to measure the atomic masses of a series of short-lived nuclides, including $^{70}$Ni, $^{122-130}$Cd, $^{134}$Sn, $^{138,140}$Xe, $^{207-210}$Hg, and $^{223-225}$Rn, that contribute to the investigation of the proton-neutron interaction and its role in nuclear structure. The high-precision mass measurements are planned for the Penning trap mass spectrometer ISOLTRAP that reaches the required precision of 10 keV in the nuclear mass determination.

  20. Investigation of ion acceleration mechanism through laser-matter interaction in femtosecond domain

    Energy Technology Data Exchange (ETDEWEB)

    Altana, C., E-mail: altana@lns.infn.it [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali del Sud, Via S. Sofia 62, 95123 Catania (Italy); Dipartimento di Fisica e Astronomia, Università degli Studi di Catania, Via S. Sofia 64, 95123 Catania (Italy); Muoio, A. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali del Sud, Via S. Sofia 62, 95123 Catania (Italy); Dipartimento di Fisica e Scienze della Terra, Università degli Studi di Messina, Viale F.S. D’Alcontres 31, 98166 Messina (Italy); Lanzalone, G. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali del Sud, Via S. Sofia 62, 95123 Catania (Italy); Università degli Studi di Enna “Kore”, Via delle Olimpiadi, 94100 Enna (Italy); Tudisco, S. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali del Sud, Via S. Sofia 62, 95123 Catania (Italy); Brandi, F. [CNR, Intense Laser Irradiation Laboratory, Via G. Moruzzi 1, 56124 Pisa (Italy); Istituto Italiano di Tecnologia, Via Morego 30, 16163 Genova (Italy); Cirrone, G.A.P. [Istituto Nazionale di Fisica Nucleare, Laboratori Nazionali del Sud, Via S. Sofia 62, 95123 Catania (Italy); Cristoforetti, G. [CNR, Intense Laser Irradiation Laboratory, Via G. Moruzzi 1, 56124 Pisa (Italy); Fazzi, A. [Energy Department, Polytechnic of Milan and INFN, Milan (Italy); Ferrara, P.; Fulgentini, L. [CNR, Intense Laser Irradiation Laboratory, Via G. Moruzzi 1, 56124 Pisa (Italy); Giove, D. [Energy Department, Polytechnic of Milan and INFN, Milan (Italy); Koester, P. [CNR, Intense Laser Irradiation Laboratory, Via G. Moruzzi 1, 56124 Pisa (Italy); Labate, L. [CNR, Intense Laser Irradiation Laboratory, Via G. Moruzzi 1, 56124 Pisa (Italy); Istituto Nazionale di Fisica Nucleare, Sezione di Pisa, Largo B. Pontecorvo 3, 56127 Pisa (Italy); and others

    2016-09-01

    An experimental campaign aiming to investigate the ion acceleration mechanisms through laser-matter interaction in the femtosecond domain has been carried out at the ILIL facility at a laser intensity of up to 2×10{sup 19} W/cm{sup 2}. A Thomson Parabola Spectrometer was used to identify different ion species and measure the energy spectra and the corresponding temperature parameters. We discuss the dependence of the protons spectra upon the structural characteristics of the targets (thickness and atomic mass) and the role of surface versus target bulk during acceleration process. - Highlights: • Ion acceleration mechanism in TNSA regime was investigated. • The energy spectra and the corresponding temperature parameters were measured. • Dependence of the spectra upon the target structural characteristics was discussed.

  1. Polyphilic Interactions as Structural Driving Force Investigated by Molecular Dynamics Simulation (Project 7

    Directory of Open Access Journals (Sweden)

    Christopher Peschel

    2017-09-01

    Full Text Available We investigated the effect of fluorinated molecules on dipalmitoylphosphatidylcholine (DPPC bilayers by force-field molecular dynamics simulations. In the first step, we developed all-atom force-field parameters for additive molecules in membranes to enable an accurate description of those systems. On the basis of this force field, we performed extensive simulations of various bilayer systems containing different additives. The additive molecules were chosen to be of different size and shape, and they included small molecules such as perfluorinated alcohols, but also more complex molecules. From these simulations, we investigated the structural and dynamic effects of the additives on the membrane properties, as well as the behavior of the additive molecules themselves. Our results are in good agreement with other theoretical and experimental studies, and they contribute to a microscopic understanding of interactions, which might be used to specifically tune membrane properties by additives in the future.

  2. Investigation of a mutual interaction force at different pressure amplitudes in sulfuric acid

    International Nuclear Information System (INIS)

    Rezaee, Nastaran; Sadighi-Bonabi, Rasoul; Mirheydari, Mona; Ebrahimi, Homa

    2011-01-01

    This paper investigates the secondary Bjerknes force for two oscillating bubbles in various pressure amplitudes in a concentration of 95% sulfuric acid. The equilibrium radii of the bubbles are assumed to be smaller than 10 μm at a frequency of 37 kHz in various strong driving acoustical fields around 2.0 bars (1 bar=10 5 Pa). The secondary Bjerknes force is investigated in uncoupled and coupled states between the bubbles, with regard to the quasi-adiabatic model for the bubble interior. It finds that the value of the secondary Bjerknes force depends on the driven pressure of sulfuric acid and its amount would be increased by liquid pressure amplitude enhancement. The results show that the repulsion area of the interaction force would be increased by increasing the driven pressure because of nonlinear oscillation of bubbles. (condensed matter: electronic structure, electrical, magnetic, and optical properties)

  3. Investigation Of Interaction Between Nitinol Stent And A Vascular Plaque Using Finite Element Method

    Directory of Open Access Journals (Sweden)

    Recep Güneş

    2012-06-01

    Full Text Available In this study, the interaction between the Nitinol stent and the artery with plaque was investigated using finite element method. The occurring pressure values during the cardiac contraction (systolic and loosening (diastolic were applied as loading to the modeled system with Nitinol stent. In the light of the stress values, the suitability of the Nitinol stent in an artery with plaque was investigated. In the analysis, Nitinol stent was assumed to be shape memory alloy, and artery and plaque were assumed to behave linearly elastic. As a result, the stress and deformations in the plaque and artery due to the interference of Nitinol stent were discussed and concluded that the structure of artery with plaque can be expanded in accordance with Nitinol stent.

  4. The interactions between lipase and pyridinium ligands investigated by electrochemical and spectrophotometric methods

    Directory of Open Access Journals (Sweden)

    Simona Patriche

    2016-04-01

    Full Text Available The interaction between pyridinium ligands derived from 4,4’-bipyridine (N,N’-bis(p-bromophenacyl-4,4’-bipyridinium dibromide – Lr and (N,N’-bis(p-bromophenacyl-1,2-bis (4-pyridyl ethane dibromide – Lm with lipase enzyme was evaluated. The stability of the pyridinium ligands, having an essential role in biological systems, in 0.1 M KNO3 as supporting electrolyte is influenced by the lipase concentration added. The pH and conductometry measurements in aqueous solution suggest a rapid ionic exchange process. The behavior of pyridinium ligands in the presence of lipase is investigated by cyclic voltammetry and UV/Vis spectroscopy, which indicated bindings and changes from the interaction between them. The voltammograms recorded on the glassy carbon electrode showed a more intense electronic transfer for the Lr interaction with lipase compared to Lm, which is due to the absence of mobile ethylene groups from Lr structure.

  5. Integration of statistical modeling and high-content microscopy to systematically investigate cell-substrate interactions.

    Science.gov (United States)

    Chen, Wen Li Kelly; Likhitpanichkul, Morakot; Ho, Anthony; Simmons, Craig A

    2010-03-01

    Cell-substrate interactions are multifaceted, involving the integration of various physical and biochemical signals. The interactions among these microenvironmental factors cannot be facilely elucidated and quantified by conventional experimentation, and necessitate multifactorial strategies. Here we describe an approach that integrates statistical design and analysis of experiments with automated microscopy to systematically investigate the combinatorial effects of substrate-derived stimuli (substrate stiffness and matrix protein concentration) on mesenchymal stem cell (MSC) spreading, proliferation and osteogenic differentiation. C3H10T1/2 cells were grown on type I collagen- or fibronectin-coated polyacrylamide hydrogels with tunable mechanical properties. Experimental conditions, which were defined according to central composite design, consisted of specific permutations of substrate stiffness (3-144 kPa) and adhesion protein concentration (7-520 microg/mL). Spreading area, BrdU incorporation and Runx2 nuclear translocation were quantified using high-content microscopy and modeled as mathematical functions of substrate stiffness and protein concentration. The resulting response surfaces revealed distinct patterns of protein-specific, substrate stiffness-dependent modulation of MSC proliferation and differentiation, demonstrating the advantage of statistical modeling in the detection and description of higher-order cellular responses. In a broader context, this approach can be adapted to study other types of cell-material interactions and can facilitate the efficient screening and optimization of substrate properties for applications involving cell-material interfaces. Copyright 2009 Elsevier Ltd. All rights reserved.

  6. The closer the relationship, the more the interaction on facebook? Investigating the case of Taiwan users.

    Science.gov (United States)

    Hsu, Chiung-Wen Julia; Wang, Ching-Chan; Tai, Yi-Ting

    2011-01-01

    This study argues for the necessity of applying offline contexts to social networking site research and the importance of distinguishing the relationship types of users' counterparts when studying Facebook users' behaviors. In an attempt to examine the relationship among users' behaviors, their counterparts' relationship types, and the users' perceived acquaintanceships after using Facebook, this study first investigated users' frequently used tools when interacting with different types of friends. Users tended to use less time- and effort-consuming and less privacy-concerned tools with newly acquired friends. This study further examined users' behaviors in terms of their closeness and intimacy and their perceived acquaintanceships toward four different types of friends. The study found that users gained more perceived acquaintanceships from less close friends with whom users have more frequent interaction but less intimate behaviors. As for closer friends, users tended to use more intimate activities to interact with them. However, these activities did not necessarily occur more frequently than the activities they employed with their less close friends. It was found that perceived acquaintanceships with closer friends were significantly lower than those with less close friends. This implies that Facebook is a mechanism for new friends, rather than close friends, to become more acquainted.

  7. Interaction of ZnS nanoparticles with flavins and glucose oxidase: A fluorimetric investigation

    International Nuclear Information System (INIS)

    Chatterjee, Anindita; Priyam, Amiya; Ghosh, Debasmita; Mondal, Somrita; Bhattacharya, Subhash C.; Saha, Abhijit

    2012-01-01

    Interactions of luminescence, water soluble ZnS nanoparticles (NPs) with flavins and glucose oxidase have been thoroughly investigated through optical spectroscopy. The photoluminescence of ZnS nanoparticles was quenched severely (∼60%) by riboflavin while other flavins such as flavin mononucleotide (FMN) and flavin adenine dinucleotide (FAD) show quenching to different extents under analogous conditions. However, interestingly no effect in luminescence intensity of ZnS NPs was observed with protein bound flavins such as in glucose oxidase. Fluorescence lifetime measurement confirmed the quenching to be static in nature. Scavenging of photo-generated electron of ZnS nanoparticles by the flavin molecules may be attributed to the decrease in luminescence intensity. Quenching of ZnS nanoparticles with flavins follows the linear Stern–Volmer plot. The Stern–Volmer constants decreased in the following order: K S−V (Riboflavin)> K S−V (FAD)> K S−V (FMN). This interaction study could generate useful protocol for the fluorimetric determination of riboflavin (vitamin B 2 ) content and also riboflavin status in biological systems. - Highlights: ► Unique interaction specificity of ZnS nanoparticles with flavins has been explored. ► Unlike protein-bound flavin, fluorescence of free flavins was quenched by ZnS nanoparticles. ► FMN and FAD show quenching to different extents under analogous conditions. ► Fluorescence lifetime measurement confirmed the quenching to be static in nature. ► This study is useful for probing riboflavin in biological systems.

  8. Numerical investigation of two interacting parallel thruster-plumes and comparison to experiment

    Science.gov (United States)

    Grabe, Martin; Holz, André; Ziegenhagen, Stefan; Hannemann, Klaus

    2014-12-01

    Clusters of orbital thrusters are an attractive option to achieve graduated thrust levels and increased redundancy with available hardware, but the heavily under-expanded plumes of chemical attitude control thrusters placed in close proximity will interact, leading to a local amplification of downstream fluxes and of back-flow onto the spacecraft. The interaction of two similar, parallel, axi-symmetric cold-gas model thrusters has recently been studied in the DLR High-Vacuum Plume Test Facility STG under space-like vacuum conditions, employing a Patterson-type impact pressure probe with slot orifice. We reproduce a selection of these experiments numerically, and emphasise that a comparison of numerical results to the measured data is not straight-forward. The signal of the probe used in the experiments must be interpreted according to the degree of rarefaction and local flow Mach number, and both vary dramatically thoughout the flow-field. We present a procedure to reconstruct the probe signal by post-processing the numerically obtained flow-field data and show that agreement to the experimental results is then improved. Features of the investigated cold-gas thruster plume interaction are discussed on the basis of the numerical results.

  9. Wave-particle interaction and Hamiltonian dynamics investigated in a traveling wave tube

    International Nuclear Information System (INIS)

    Doveil, Fabrice; Macor, Alessandro

    2006-01-01

    For wave-particle interaction studies, the one-dimensional (1-D) beam-plasma system can be advantageously replaced by a Traveling Wave Tube (TWT). This led us to a detailed experimental analysis of the self-consistent interaction between unstable waves and a small either cold or warm beam. More recently, a test electron beam has been used to observe its non-self-consistent interaction with externally excited wave(s). The velocity distribution function of the electron beam is investigated with a trochoidal energy analyzer that records the beam energy distribution at the output of the TWT. An arbitrary waveform generator is used to launch a prescribed spectrum of waves along the slow wave structure (a 4 m long helix) of the TWT. The nonlinear synchronization of particles by a single wave responsible for Landau damping is observed. The resonant velocity domain associated to a single wave is also observed, as well as the transition to large-scale chaos when the resonant domains of two waves and their secondary resonances overlap leading to a typical 'devil's staircase' behavior. A new strategy for the control of chaos is tested

  10. Investigation on the toxic interaction of typical plasticizers with calf thymus DNA

    Energy Technology Data Exchange (ETDEWEB)

    Sun, Xiaojing [School of Environmental Science and Engineering, China–America CRC for Environment & Health, Shandong University, 27# Shanda South Road, Jinan 250100, Shandong Province (China); Zong, Wansong, E-mail: gaocz@sdu.edu.cn [College of Population, Resources and Environment, Shandong Normal University, 88# East Wenhua Road, Jinan 250014 (China); Liu, Chunguang; Liu, Yang [School of Environmental Science and Engineering, China–America CRC for Environment & Health, Shandong University, 27# Shanda South Road, Jinan 250100, Shandong Province (China); Gao, Canzhu, E-mail: rutaoliu@sdu.edu.cn [School of Environmental Science and Engineering, China–America CRC for Environment & Health, Shandong University, 27# Shanda South Road, Jinan 250100, Shandong Province (China); Liu, Rutao [School of Environmental Science and Engineering, China–America CRC for Environment & Health, Shandong University, 27# Shanda South Road, Jinan 250100, Shandong Province (China)

    2015-05-15

    The interactions of typical plasticizers dimethyl phthalate (DMP), diethyl phthalate (DEP) and dibutyl phthalate (DBP) with calf thymus DNA (ctDNA) were investigated by fluorescence spectroscopic techniques and molecular modeling. Experimental results indicated that the characteristic fluorescence intensity of phthalic acid rose with the increase of DNA concentration; while the characteristic fluorescence intensities of plasticizers decreased with the increase of DNA concentration. Experiments on native and denatured DNA determined that plasticizers interacted with DNA both in groove and electrostatic binding mode. The molecular modeling results further illustrated that there is groove binding between them; hydrogen bonding and Van der Waals interactions were the main forces. With the extension of branched-chains, the binding effects between plasticizers and DNA were weakened, which could be related to the increased steric hindrance. - Highlights: • This work established the binding mode of plasticizers with DNA on molecular level. • The mechanism was explored by fluorescence spectroscopic and molecular docking methods. • There are two kinds of binding mode between DMP, DEP, DBP and DNA, electrostatic and groove. • With the branched chain extension, the binding effect of plasticizers and DNA has been weakened.

  11. Spectroscopic investigation on the interaction of titanate nanotubes with bovine serum albumin

    International Nuclear Information System (INIS)

    Zhao, L.Z.; Zhao, Y.S.; Teng, H.H.; Shi, S.Y.; Ren, B.X.

    2014-01-01

    In order to understand the transport mechanism and evaluate the biological safety of titanate nanotubes, the interactions of titanate nanotubes (TNTs) with bovine serum albumin (BSA) were investigated by applying spectroscopic methods under simulated physiological conditions. After taking into account the inner filter effect, the fluorescence intensity of BSA was found to be significantly enhanced by the presence of TNTs, indicating that the microenvironment of tryptophan and tyrosine residues in BSA became more hydrophobic. In addition, the absorption spectra of BSA showed a hyperchromic effect around 280 nm as the concentration of TNTs increased, suggesting that TNTs changed the microenvironment of the tryptophan and tyrosine residues. This is consistent with the results from fluorescence spectroscopy studies. However, circular dichroism spectroscopy revealed that no significant conformational change in BSA occurred during the interaction. We believe that Trp-213 was buried more compactly in the internal hydrophobic region, and hydrophobicity increased around Trp-134 with increasing TNTs concentration. From a spectroscopic point of view, this work elucidates the interaction mechanism of titanate nanotubes with BSA, and the methods used in this paper can also be applied to explore the molecular mechanism underlying toxicity of other nanomaterials. (authors)

  12. Computational investigation of large-scale vortex interaction with flexible bodies

    Science.gov (United States)

    Connell, Benjamin; Yue, Dick K. P.

    2003-11-01

    The interaction of large-scale vortices with flexible bodies is examined with particular interest paid to the energy and momentum budgets of the system. Finite difference direct numerical simulation of the Navier-Stokes equations on a moving curvilinear grid is coupled with a finite difference structural solver of both a linear membrane under tension and linear Euler-Bernoulli beam. The hydrodynamics and structural dynamics are solved simultaneously using an iterative procedure with the external structural forcing calculated from the hydrodynamics at the surface and the flow-field velocity boundary condition given by the structural motion. We focus on an investigation into the canonical problem of a vortex-dipole impinging on a flexible membrane. It is discovered that the structural properties of the membrane direct the interaction in terms of the flow evolution and the energy budget. Pressure gradients associated with resonant membrane response are shown to sustain the oscillatory motion of the vortex pair. Understanding how the key mechanisms in vortex-body interactions are guided by the structural properties of the body is a prerequisite to exploiting these mechanisms.

  13. Investigation of Plugging of Narrow Sodium Channels by Sodium and Carbon Dioxide Interaction

    Energy Technology Data Exchange (ETDEWEB)

    Park, Sun Hee; Wi, Myung-Hwan; Min, Jae Hong; Kim, Tae-joon [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2014-10-15

    The supercritical CO{sub 2} Brayton cycle system is known to be a promising power conversion system for improving the efficiency and preventing the sodium water reaction (SWR) of the current SFR concept using a Rankine steam cycle. PCHEs are known to have potential for reducing the volume occupied by the sodium-to-CO{sub 2} exchangers as well as the heat exchanger mass relative to traditional shell-and-tube heat exchangers. Here, we report a study on a plugging test by the interaction of sodium and CO{sub 2} to investigate design parameters of sodium channels in the realistic operating conditions. We investigated a plugging test by an interaction of sodium and CO{sub 2} with different cross sectional areas of the sodium channels. It was found that the flow rate of sodium decreased earlier and faster with a narrower cross sectional area compared to a wider one. Our experimental results are expected to be used for determining the sodium channel areas of PCHEs.

  14. Investigation of structural responses of breakwaters for green water based on fluid-structure interaction analysis

    Directory of Open Access Journals (Sweden)

    Chi-Seung Lee

    2012-06-01

    Full Text Available In the present study, the structural response of breakwaters installed on container carriers against green water impact loads was numerically investigated on the basis of the fluid-structure interaction analysis. A series of numerical studies is carried out to induce breakwater collapse under such conditions, whereby a widely accepted fluid-structure interaction analysis technique is adopted to realistically consider the phenomenon of green water impact loads. In addition, the structural behaviour of these breakwaters under green water impact loads is investigated simultaneously throughout the transient analysis. A verification study of the numerical results is performed using data from actual collapse incidents of breakwaters on container carriers. On the basis of the results of a series of numerical analyses, the pressure distribution of green water was accurately predicted with respect to wave mass and velocity. It is expected that the proposed analytical methodology and predicted pressure distribution could be used as a practical guideline for the design of breakwaters on container carriers.

  15. Spectroscopic investigations of novel pharmaceuticals: Stability and resonant interaction with laser beam

    Science.gov (United States)

    Smarandache, Adriana; Boni, Mihai; Andrei, Ionut Relu; Handzlik, Jadwiga; Kiec-Kononowicz, Katarzyna; Staicu, Angela; Pascu, Mihail-Lucian

    2017-09-01

    This paper presents data about photophysics of two novel thio-hydantoins that exhibit promising pharmaceutical properties in multidrug resistance control. Time stability studies are necessary to establish the proper use of these compounds in different applications. As for their administration as drugs, it is imperative to know their shelf life, as well as storage conditions. At the same time, laser induced modified properties of the two new compounds are valuable to further investigate their specific interactions with other materials, including biological targets. The two new thio-hydantoins under generic names SZ-2 and SZ-7 were prepared as solutions in dimethyl sulfoxide at different concentrations, as well as in deionised water. For the stability assay they were kept in various light/temperature conditions up to 60 days. The stability was estimates based on UV-vis absorption measurements. The samples in bulk shape were exposed different time intervals to laser radiation emitted at 266 nm as the fourth harmonic of a Nd:YAG laser. The resonant interaction of the studied compounds with laser beams was analysed through spectroscopic methods UV-vis and FTIR absorption, as well as laser induced fluorescence spectroscopy. As for stability assay, only solutions kept in dark at 4 °C have preserved the absorption characteristics, considering the cumulated measuring errors, less than one week. The vibrational changes that occur in their FTIR and modified fluorescence spectra upon laser beam exposure are also discussed. A result of the experimental analysis is that modifications are induced in molecular structures of the investigated compounds by resonant interaction with laser radiation. This fact evidences that the molecules are photoreactive and their characteristics might be shaped through controlled laser radiation exposure using appropriate protocols. This conclusion opens many opportunities both in the biomedical field, but also in other industrial activities

  16. Spectroscopic investigation of Bovine Liver Catalase interactions with a novel phen-imidazole derivative of platinum.

    Science.gov (United States)

    Ghobadi, Roohollah; Divsalar, Adeleh; Harifi-Mood, Ali Reza; Saboury, Ali Akbar

    2018-02-01

    Successful clinical experience of using cisplatin and its derivatives in cancer therapy has encouraged scientists to synthesize new metal complexes with the aim of interacting with special targets such as proteins In this regard, biological effects of [Pt(FIP)(Phen)](NO 3 ) 2 compound which contains a novel phen-imidazole ligand, FIP, was investigated on bovine liver catalase (BLC) structure and function. Various spectroscopic methods such as UV-visible, fluorescence, and circular dichroism (CD) were applied at two temperatures 25 and 37°C for kinetics and structural studies. As a consequence, the enzymatic activity decreased slightly with increasing the platinum compound's concentration up to 30 μM and then remained constant at near 80% after this concentration. On the other hand, the fluorescence quenching measurements revealed that despite slight changes in activity, catalase experiences notable alterations in three-dimensional environment around the chromophores of the enzyme structure with increasing platinum complex concentration. Moreover, quenching data showed that BLC has two binding sites for Pt complex and hydrogen bonding interactions play a major role in the binding process. Furthermore, CD spectroscopy data showed that Pt(II) complex induces significant decrease in α-helix content of the secondary structure of BLC, but notable increase in random coil proportion accompanying a slight decrease in β-sheet content. All in all, hydrogen bonding interactions which are mainly involved in the binding process of the novel phen-imidazole compound to BLC significantly alter the protein structure but slightly change its function. This might be a promising outcome for chemotherapists and medicinal chemists to investigate in vivo properties of this novel metal complex with significant binding tendency to a macromolecule in the low concentrations without decreasing its intrinsic function.

  17. Investigation on the toxic interaction of superparamagnetic iron oxide nanoparticles with catalase

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Zehua [Shandong Key Laboratory of Water Pollution Control and Resource Reuse, School of Environmental Science and Engineering, China–America CRC for Environment and Health, Shandong Province, Shandong University, 27# Shanda South Road, Jinan 250100 (China); Liu, Hongwei [Shandong Key Laboratory of Water Pollution Control and Resource Reuse, School of Environmental Science and Engineering, China–America CRC for Environment and Health, Shandong Province, Shandong University, 27# Shanda South Road, Jinan 250100 (China); Research Center for Eco-Environmental Sciences, Chinese Academy of Sciences, Beijing 100085 (China); Hu, Xinxin; Song, Wei [Shandong Key Laboratory of Water Pollution Control and Resource Reuse, School of Environmental Science and Engineering, China–America CRC for Environment and Health, Shandong Province, Shandong University, 27# Shanda South Road, Jinan 250100 (China); Liu, Rutao, E-mail: rutaoliu@sdu.edu.cn [Shandong Key Laboratory of Water Pollution Control and Resource Reuse, School of Environmental Science and Engineering, China–America CRC for Environment and Health, Shandong Province, Shandong University, 27# Shanda South Road, Jinan 250100 (China)

    2015-03-15

    Superparamagnetic iron oxide nanoparticles (SPIONs) have been investigated for various applications in targeted drug delivery and magnetic resonance imaging. Given their clinical relevance, there is a need to understand these particles' potential cytotoxic effects and possible mechanisms of cytotoxicity. Using a variety of spectroscopic techniques, we investigated the interaction of SPIONs with catalase (CAT) in an aqueous environment. Catalase is an important enzyme that protects cells and tissues from oxidative damage by reactive oxygen species (ROS). Therefore, in this work, CAT served as a model protein for examining the physiological effects of SPIONs due to is function in eliminating H{sub 2}O{sub 2}. Synchronous fluorescence spectroscopy results showed that SPIONs have little effect on tryptophan residues in CAT. Data from circular dichroism (CD) and UV–vis spectroscopies showed that CAT α-helical content decreased from 32.4% to 29.1% in the presence of SPIONs. Moreover, a ca. 10% decrease in CAT activity was observed in the presence of SPIONs at a 20:1 particle:protein ratio. These results show that SPIONs can interact with proteins to alter both their structure and function. Further studies with CAT or other toxicologically relevant enzymes may be used for elucidating the mechanisms of SPION cytotoxicity. - Highlights: • This work established the binding mode of SPIONs with CAT on molecular level. • The interaction mechanism was explored by multiple spectroscopic techniques. • SPIONs can loosen the skeleton of protein and increase the exposure of amide moieties in the hydrophobic pocket. • SPIONs can inhibit CAT activity and trigger conformational changes in CAT.

  18. Investigation on the toxic interaction of superparamagnetic iron oxide nanoparticles with catalase

    International Nuclear Information System (INIS)

    Yu, Zehua; Liu, Hongwei; Hu, Xinxin; Song, Wei; Liu, Rutao

    2015-01-01

    Superparamagnetic iron oxide nanoparticles (SPIONs) have been investigated for various applications in targeted drug delivery and magnetic resonance imaging. Given their clinical relevance, there is a need to understand these particles' potential cytotoxic effects and possible mechanisms of cytotoxicity. Using a variety of spectroscopic techniques, we investigated the interaction of SPIONs with catalase (CAT) in an aqueous environment. Catalase is an important enzyme that protects cells and tissues from oxidative damage by reactive oxygen species (ROS). Therefore, in this work, CAT served as a model protein for examining the physiological effects of SPIONs due to is function in eliminating H 2 O 2 . Synchronous fluorescence spectroscopy results showed that SPIONs have little effect on tryptophan residues in CAT. Data from circular dichroism (CD) and UV–vis spectroscopies showed that CAT α-helical content decreased from 32.4% to 29.1% in the presence of SPIONs. Moreover, a ca. 10% decrease in CAT activity was observed in the presence of SPIONs at a 20:1 particle:protein ratio. These results show that SPIONs can interact with proteins to alter both their structure and function. Further studies with CAT or other toxicologically relevant enzymes may be used for elucidating the mechanisms of SPION cytotoxicity. - Highlights: • This work established the binding mode of SPIONs with CAT on molecular level. • The interaction mechanism was explored by multiple spectroscopic techniques. • SPIONs can loosen the skeleton of protein and increase the exposure of amide moieties in the hydrophobic pocket. • SPIONs can inhibit CAT activity and trigger conformational changes in CAT

  19. Investigating the Neural Correlates of Emotion–Cognition Interaction Using an Affective Stroop Task

    Directory of Open Access Journals (Sweden)

    Nora M. Raschle

    2017-09-01

    Full Text Available The human brain has the capacity to integrate various sources of information and continuously adapts our behavior according to situational needs in order to allow a healthy functioning. Emotion–cognition interactions are a key example for such integrative processing. However, the neuronal correlates investigating the effects of emotion on cognition remain to be explored and replication studies are needed. Previous neuroimaging studies have indicated an involvement of emotion and cognition related brain structures including parietal and prefrontal cortices and limbic brain regions. Here, we employed whole brain event-related functional magnetic resonance imaging (fMRI during an affective number Stroop task and aimed at replicating previous findings using an adaptation of an existing task design in 30 healthy young adults. The Stroop task is an indicator of cognitive control and enables the quantification of interference in relation to variations in cognitive load. By the use of emotional primes (negative/neutral prior to Stroop task performance, an emotional variation is added as well. Behavioral in-scanner data showed that negative primes delayed and disrupted cognitive processing. Trials with high cognitive demand furthermore negatively influenced cognitive control mechanisms. Neuronally, the emotional primes consistently activated emotion-related brain regions (e.g., amygdala, insula, and prefrontal brain regions while Stroop task performance lead to activations in cognition networks of the brain (prefrontal cortices, superior temporal lobe, and insula. When assessing the effect of emotion on cognition, increased cognitive demand led to decreases in neural activation in response to emotional stimuli (negative > neutral within prefrontal cortex, amygdala, and insular cortex. Overall, these results suggest that emotional primes significantly impact cognitive performance and increasing cognitive demand leads to reduced neuronal activation in

  20. Identifying gene-environment interactions in schizophrenia: contemporary challenges for integrated, large-scale investigations.

    Science.gov (United States)

    van Os, Jim; Rutten, Bart P; Myin-Germeys, Inez; Delespaul, Philippe; Viechtbauer, Wolfgang; van Zelst, Catherine; Bruggeman, Richard; Reininghaus, Ulrich; Morgan, Craig; Murray, Robin M; Di Forti, Marta; McGuire, Philip; Valmaggia, Lucia R; Kempton, Matthew J; Gayer-Anderson, Charlotte; Hubbard, Kathryn; Beards, Stephanie; Stilo, Simona A; Onyejiaka, Adanna; Bourque, Francois; Modinos, Gemma; Tognin, Stefania; Calem, Maria; O'Donovan, Michael C; Owen, Michael J; Holmans, Peter; Williams, Nigel; Craddock, Nicholas; Richards, Alexander; Humphreys, Isla; Meyer-Lindenberg, Andreas; Leweke, F Markus; Tost, Heike; Akdeniz, Ceren; Rohleder, Cathrin; Bumb, J Malte; Schwarz, Emanuel; Alptekin, Köksal; Üçok, Alp; Saka, Meram Can; Atbaşoğlu, E Cem; Gülöksüz, Sinan; Gumus-Akay, Guvem; Cihan, Burçin; Karadağ, Hasan; Soygür, Haldan; Cankurtaran, Eylem Şahin; Ulusoy, Semra; Akdede, Berna; Binbay, Tolga; Ayer, Ahmet; Noyan, Handan; Karadayı, Gülşah; Akturan, Elçin; Ulaş, Halis; Arango, Celso; Parellada, Mara; Bernardo, Miguel; Sanjuán, Julio; Bobes, Julio; Arrojo, Manuel; Santos, Jose Luis; Cuadrado, Pedro; Rodríguez Solano, José Juan; Carracedo, Angel; García Bernardo, Enrique; Roldán, Laura; López, Gonzalo; Cabrera, Bibiana; Cruz, Sabrina; Díaz Mesa, Eva Ma; Pouso, María; Jiménez, Estela; Sánchez, Teresa; Rapado, Marta; González, Emiliano; Martínez, Covadonga; Sánchez, Emilio; Olmeda, Ma Soledad; de Haan, Lieuwe; Velthorst, Eva; van der Gaag, Mark; Selten, Jean-Paul; van Dam, Daniella; van der Ven, Elsje; van der Meer, Floor; Messchaert, Elles; Kraan, Tamar; Burger, Nadine; Leboyer, Marion; Szoke, Andrei; Schürhoff, Franck; Llorca, Pierre-Michel; Jamain, Stéphane; Tortelli, Andrea; Frijda, Flora; Vilain, Jeanne; Galliot, Anne-Marie; Baudin, Grégoire; Ferchiou, Aziz; Richard, Jean-Romain; Bulzacka, Ewa; Charpeaud, Thomas; Tronche, Anne-Marie; De Hert, Marc; van Winkel, Ruud; Decoster, Jeroen; Derom, Catherine; Thiery, Evert; Stefanis, Nikos C; Sachs, Gabriele; Aschauer, Harald; Lasser, Iris; Winklbaur, Bernadette; Schlögelhofer, Monika; Riecher-Rössler, Anita; Borgwardt, Stefan; Walter, Anna; Harrisberger, Fabienne; Smieskova, Renata; Rapp, Charlotte; Ittig, Sarah; Soguel-dit-Piquard, Fabienne; Studerus, Erich; Klosterkötter, Joachim; Ruhrmann, Stephan; Paruch, Julia; Julkowski, Dominika; Hilboll, Desiree; Sham, Pak C; Cherny, Stacey S; Chen, Eric Y H; Campbell, Desmond D; Li, Miaoxin; Romeo-Casabona, Carlos María; Emaldi Cirión, Aitziber; Urruela Mora, Asier; Jones, Peter; Kirkbride, James; Cannon, Mary; Rujescu, Dan; Tarricone, Ilaria; Berardi, Domenico; Bonora, Elena; Seri, Marco; Marcacci, Thomas; Chiri, Luigi; Chierzi, Federico; Storbini, Viviana; Braca, Mauro; Minenna, Maria Gabriella; Donegani, Ivonne; Fioritti, Angelo; La Barbera, Daniele; La Cascia, Caterina Erika; Mulè, Alice; Sideli, Lucia; Sartorio, Rachele; Ferraro, Laura; Tripoli, Giada; Seminerio, Fabio; Marinaro, Anna Maria; McGorry, Patrick; Nelson, Barnaby; Amminger, G Paul; Pantelis, Christos; Menezes, Paulo R; Del-Ben, Cristina M; Gallo Tenan, Silvia H; Shuhama, Rosana; Ruggeri, Mirella; Tosato, Sarah; Lasalvia, Antonio; Bonetto, Chiara; Ira, Elisa; Nordentoft, Merete; Krebs, Marie-Odile; Barrantes-Vidal, Neus; Cristóbal, Paula; Kwapil, Thomas R; Brietzke, Elisa; Bressan, Rodrigo A; Gadelha, Ary; Maric, Nadja P; Andric, Sanja; Mihaljevic, Marina; Mirjanic, Tijana

    2014-07-01

    Recent years have seen considerable progress in epidemiological and molecular genetic research into environmental and genetic factors in schizophrenia, but methodological uncertainties remain with regard to validating environmental exposures, and the population risk conferred by individual molecular genetic variants is small. There are now also a limited number of studies that have investigated molecular genetic candidate gene-environment interactions (G × E), however, so far, thorough replication of findings is rare and G × E research still faces several conceptual and methodological challenges. In this article, we aim to review these recent developments and illustrate how integrated, large-scale investigations may overcome contemporary challenges in G × E research, drawing on the example of a large, international, multi-center study into the identification and translational application of G × E in schizophrenia. While such investigations are now well underway, new challenges emerge for G × E research from late-breaking evidence that genetic variation and environmental exposures are, to a significant degree, shared across a range of psychiatric disorders, with potential overlap in phenotype. © The Author 2014. Published by Oxford University Press on behalf of the Maryland Psychiatric Research Center. All rights reserved. For permissions, please email: journals.permissions@oup.com.

  1. Investigation on Melt-Structure-Water Interactions (MSWI) during severe accidents

    Energy Technology Data Exchange (ETDEWEB)

    Sehgal, B.R.; Yang, Z.L.; Dinh, T.N.; Nourgaliev, R.R.; Bui, V.A.; Haraldsson, H.O.; Li, H.X.; Konovakhin, M.; Paladino, D.; Leung, W.H [Royal Inst. of Tech., Stockholm (Sweden). Div. of Nuclear Power Safety

    1999-08-01

    This report is the final report for the work performed in 1998 in the research project Melt Structure Water Interactions (MSWI), under the auspices of the APRI Project, jointly funded by SKI, HSK, USNRC and the Swedish and Finnish power companies. The present report describes results of advanced analytical and experimental studies concerning melt-water-structure interactions during the course of a hypothetical severe core meltdown accident in a light water reactor (LWR). Emphasis has been placed on phenomena and properties which govern the fragmentation and breakup of melt jets and droplets, melt spreading and coolability, and thermal and mechanical loadings of a pressure vessel during melt-vessel interaction. Many of the investigations performed in support of this project have produced papers which have been published in the proceedings of technical meetings. A short summary of the results achieved in these papers is provided in this overview. Both experimental and analytical studies were performed to improve knowledge about phenomena of melt-structure-water interactions. We believe that significant technical advances have been achieved during the course of these studies. It was found that: the solidification has a strong effect on the drop deformation and breakup. Initially appearing at the drop surface and, later, thickening inwards, the solid crust layer dampens the instability waves on the drop surface and, therefore, hinders drop deformation and breakup. The drop thermal properties also affect the thermal behavior of the drop and, therefore, have impact on its deformation behavior. The jet fragmentation process is a function of many related phenomena. The fragmentation rate depends not only on the traditional parameters, e.g. the Weber number, but also on the melt physical properties, which change as the melt cools down from the liquidus to the solidus temperature. Additionally, the crust formed on the surface of the melt jet will also reduce the propensity

  2. Investigation on Melt-Structure-Water Interactions (MSWI) during severe accidents

    International Nuclear Information System (INIS)

    Sehgal, B.R.; Yang, Z.L.; Dinh, T.N.; Nourgaliev, R.R.; Bui, V.A.; Haraldsson, H.O.; Li, H.X.; Konovakhin, M.; Paladino, D.; Leung, W.H

    1999-08-01

    This report is the final report for the work performed in 1998 in the research project Melt Structure Water Interactions (MSWI), under the auspices of the APRI Project, jointly funded by SKI, HSK, USNRC and the Swedish and Finnish power companies. The present report describes results of advanced analytical and experimental studies concerning melt-water-structure interactions during the course of a hypothetical severe core meltdown accident in a light water reactor (LWR). Emphasis has been placed on phenomena and properties which govern the fragmentation and breakup of melt jets and droplets, melt spreading and coolability, and thermal and mechanical loadings of a pressure vessel during melt-vessel interaction. Many of the investigations performed in support of this project have produced papers which have been published in the proceedings of technical meetings. A short summary of the results achieved in these papers is provided in this overview. Both experimental and analytical studies were performed to improve knowledge about phenomena of melt-structure-water interactions. We believe that significant technical advances have been achieved during the course of these studies. It was found that: the solidification has a strong effect on the drop deformation and breakup. Initially appearing at the drop surface and, later, thickening inwards, the solid crust layer dampens the instability waves on the drop surface and, therefore, hinders drop deformation and breakup. The drop thermal properties also affect the thermal behavior of the drop and, therefore, have impact on its deformation behavior. The jet fragmentation process is a function of many related phenomena. The fragmentation rate depends not only on the traditional parameters, e.g. the Weber number, but also on the melt physical properties, which change as the melt cools down from the liquidus to the solidus temperature. Additionally, the crust formed on the surface of the melt jet will also reduce the propensity

  3. Interaction of ZnS nanoparticles with flavins and glucose oxidase: A fluorimetric investigation

    Energy Technology Data Exchange (ETDEWEB)

    Chatterjee, Anindita; Priyam, Amiya; Ghosh, Debasmita; Mondal, Somrita [UGC-DAE Consortium for Scientific Research, Kolkata Centre, III/LB-8, Bidhannagar, Kolkata 700098 (India); Bhattacharya, Subhash C. [Department of Chemistry, Jadavpur University, Kolkata 700032 (India); Saha, Abhijit, E-mail: abhijit@alpha.iuc.res.in [UGC-DAE Consortium for Scientific Research, Kolkata Centre, III/LB-8, Bidhannagar, Kolkata 700098 (India)

    2012-03-15

    Interactions of luminescence, water soluble ZnS nanoparticles (NPs) with flavins and glucose oxidase have been thoroughly investigated through optical spectroscopy. The photoluminescence of ZnS nanoparticles was quenched severely ({approx}60%) by riboflavin while other flavins such as flavin mononucleotide (FMN) and flavin adenine dinucleotide (FAD) show quenching to different extents under analogous conditions. However, interestingly no effect in luminescence intensity of ZnS NPs was observed with protein bound flavins such as in glucose oxidase. Fluorescence lifetime measurement confirmed the quenching to be static in nature. Scavenging of photo-generated electron of ZnS nanoparticles by the flavin molecules may be attributed to the decrease in luminescence intensity. Quenching of ZnS nanoparticles with flavins follows the linear Stern-Volmer plot. The Stern-Volmer constants decreased in the following order: K{sub S-V} (Riboflavin)> K{sub S-V} (FAD)> K{sub S-V} (FMN). This interaction study could generate useful protocol for the fluorimetric determination of riboflavin (vitamin B{sub 2}) content and also riboflavin status in biological systems. - Highlights: Black-Right-Pointing-Pointer Unique interaction specificity of ZnS nanoparticles with flavins has been explored. Black-Right-Pointing-Pointer Unlike protein-bound flavin, fluorescence of free flavins was quenched by ZnS nanoparticles. Black-Right-Pointing-Pointer FMN and FAD show quenching to different extents under analogous conditions. Black-Right-Pointing-Pointer Fluorescence lifetime measurement confirmed the quenching to be static in nature. Black-Right-Pointing-Pointer This study is useful for probing riboflavin in biological systems.

  4. Investigating the Interaction of Fe Nanoparticles with Lysozyme by Biophysical and Molecular Docking Studies.

    Directory of Open Access Journals (Sweden)

    Zahra Aghili

    Full Text Available Herein, the interaction of hen egg white lysozyme (HEWL with iron nanoparticle (Fe NP was investigated by spectroscopic and docking studies. The zeta potential analysis revealed that addition of Fe NP (6.45±1.03 mV to HEWL (8.57±0.54 mV can cause to greater charge distribution of nanoparticle-protein system (17.33±1.84 mV. In addition, dynamic light scattering (DLS study revealed that addition of Fe NP (92.95±6.11 nm to HEWL (2.68±0.37 nm increases suspension potential of protein/nanoparticle system (51.17±3.19 nm. Fluorescence quenching studies reveled that both static and dynamic quenching mechanism occur and hydrogen bond and van der Waals interaction give rise to protein-NP system. Synchronous fluorescence spectroscopy of HEWL in the presence of Fe NP showed that the emission maximum wavelength of tryptophan (Trp residues undergoes a red-shift. ANS fluorescence data indicated a dramatic exposure of hydrophobic residues to the solvent. The considerable reduction in melting temperature (T(m of HEWL after addition of Fe NP determines an unfavorable interaction system. Furthermore circular dichoroism (CD experiments demonstrated that, the secondary structure of HEWL has not changed with increasing Fe NP concentrations; however, some conformational changes occur in tertiary structure of HEWL. Moreover, protein-ligand docking study confirmed that the Fe NP forms hydrogen bond contacts with HEWL.

  5. FT-IR and X-ray spectroscopic investigations of Na-diclofenac-cyclodextrins interactions

    Science.gov (United States)

    Bratu, I.; Astilean, S.; Ionesc, Corina; Indrea, E.; Huvenne, J. P.; Legrand, P.

    1998-01-01

    The association of DCF-Na (the salt of the 2-[(2,6-dichlorophenyl)amino]-phenyl-acetic acid) with β-CD (cyclodextrin) in some therapeutic formulas can contribute to the optimisation of the physico-chemical and pharmaceutical properties of the parent drug. The understanding of the interaction between DCF with β-CD represents the objective of this study. FT-IR spectroscopy is one of the methods which clarify the nature of these interactions in complexes of such type. Therefore the changes in FT-IR spectra of binary dispersed systems DCF/ β-CD in physical mixture and coprecipitate from methanol (molar ratios: 1/1, 1/2, 2/3, 3/4, 7/4) were analysed. The analysis of the broadening of the X-ray powder diffraction line has been applied to investigate the average effective crystallite size, the mean square of the microstrain caused by distortions within β-CD crystallite and the fault probability in the binary dispersed DCF/ β-CD coprecipitate system.

  6. Investigation of hydrogen isotopes interaction processes with lithium under neutron irradiation

    Energy Technology Data Exchange (ETDEWEB)

    Zaurbekova, Zhanna, E-mail: zaurbekova@nnc.kz [Institute of Atomic Energy, National Nuclear Center of RK, Kurchatov (Kazakhstan); Skakov, Mazhyn; Ponkratov, Yuriy; Kulsartov, Timur; Gordienko, Yuriy; Tazhibayeva, Irina; Baklanov, Viktor; Barsukov, Nikolay [Institute of Atomic Energy, National Nuclear Center of RK, Kurchatov (Kazakhstan); Chikhray, Yevgen [Institute of Experimental and Theoretical Physics of Kazakh National University, Almaty (Kazakhstan)

    2016-11-01

    Highlights: • The experiments on study of helium and tritium generation and release processes under neutron irradiation from lithium saturated with deuterium are described in paper. ​ • The values of relative tritium and helium yield from lithium sample at different levels of neutron irradiation is calculated. • It was concluded that the main affecting process on tritium release from lithium is its interaction with lithium atoms with formation of lithium tritide. - Abstract: The paper describes the experiments on study of helium and tritium generation and release processes from lithium saturated with deuterium under neutron irradiation (in temperature range from 473 to 773 K). The diagrams of two reactor experiments show the time dependences of helium, DT, T{sub 2}, and tritium water partial pressures changes in experimental chamber with investigated lithium sample. According to experimental results, the values of relative tritium and helium yield from lithium sample at different levels of neutron irradiation were calculated. The time dependences of relative tritium and helium yield from lithium sample were plotted. It was concluded that the main affecting process on tritium release from lithium is its interaction with lithium atoms with formation of lithium tritide.

  7. Investigation of Unsteady Flow Interaction Between an Ultra-Compact Inlet and a Transonic Fan

    Science.gov (United States)

    Hah, Chunill; Rabe, Douglas; Scribben, Angie

    2015-01-01

    In the present study, unsteady flow interaction between an ultra-compact inlet and a transonic fan stage is investigated. Future combat aircraft require ultra-compact inlet ducts as part of an integrated, advanced propulsion system to improve air vehicle capability and effectiveness to meet future mission needs. The main purpose of the study is to advance the current understanding of the flow interaction between two different ultra-compact inlets and a transonic fan for future design applications. Both URANS and LES approaches are used to calculate the unsteady flow field and are compared with the available measured data. The present study indicates that stall inception is mildly affected by the distortion pattern generated by the inlet with the current test set-up. The numerical study indicates that the inlet distortion pattern decays significantly before it reaches the fan face for the current configuration. Numerical results with a shorter distance between the inlet and fan show that counter-rotating vortices near the rotor tip due to the serpentine diffuser affects fan characteristics significantly.

  8. CO interaction with Cu(I)-MCM-22 zeolite: density function theory investigation

    International Nuclear Information System (INIS)

    Viet Thang Ho; Petr Nachtigall

    2014-01-01

    MCM-22 zeolite has been widely used in many applications for catalysis and adsorption. Especially, this material exchanged with Cu + cation (Cu(I)-MCM-22) is an active catalyst in green chemical reaction, such as decomposition of NO and N 2 O. The local geometry of Cu + in vicinity of Al (III) replacement in six different Si (IV) sites and CO interaction with the most stable Cu + in each Al site were explored using periodic density functional theory (DFT) method. Th CO stretching frequencies were computed applying the ω/r scaling method in which frequencies were determined at high quantum level (couple cluster) and CO bond length calculated at DFT level. The results showed that Cu + cation located in the channel wall position and intersection position coordinated with 3 or 2 framework oxygen atoms, respectively, before CO adsorption and Cu + cation coordinated with 2 framework oxygen atoms after CO adsorption. The interaction energies between CO and Cu + cation were in range -148 to -195 kJ/mol -1 and CO frequencies exhibit two peak at 2151 and 2159 cm -1 in good agreement with experimental data. This investigation allows to understand the Cu + location in MCM-22 and CO adsorption in Cu(I)-MCM-22 zeolite. (author)

  9. Diagnostic setup for investigation of plasma wall interactions at Wendelstein 7-X

    International Nuclear Information System (INIS)

    Neubauer, Olaf; Biel, Wolfgang; Czymek, Guntram; Denner, Peter; Effenberg, Florian; Krämer-Flecken, Andreas; Liang, Yunfeng; Marchuk, Oleksandr; Offermanns, Guido; Rack, Michael; Samm, Ulrich; Schmitz, Oliver; Schweer, Bernd; Terra, Alexis

    2015-01-01

    Graphical abstract: - Highlights: • We are investigating plasma wall interactions at Wendelstein 7-X stellarator. • Steady state operation and island divertor are unique. • We are developing diagnostics for divertor plasma and plasma facing surfaces. • A multi-purpose fast manipulator allows for exposure of probes and samples. • Versatile endoscopes allow for local divertor spectroscopy from IR to UV. - Abstract: Wendelstein 7-X being the most advanced stellarator is currently prepared for commissioning at Greifswald. Forschungszentrum Jülich is preparing a research programme in the field of plasma wall interactions (PWI) by developing a dedicated set of diagnostic systems. The specific interest at Wendelstein 7-X is to understand PWI processes in presence of a 3D plasma boundary of an island divertor. Furthermore, for the first time steady state plasma at high density and low temperature in the divertor region will be available. Since PWI only could be understood in conjunction with the edge plasma properties the aim of the setup is to observe both the edge plasma as well as surface processes. For optimum combination of different diagnostic methods the edge diagnostic systems are aligned toroidally along one out of five magnetic islands. Main systems are a multipurpose fast probe manipulator, two gas boxes in opposite divertor modules together with two endoscopes each observing the divertor regions, a poloidal correlation reflectometer, a dispersion interferometer in the divertor, and VUV and X-ray spectroscopy in the plasma core. The concept of the diagnostic setup is presented in this paper.

  10. Diagnostic setup for investigation of plasma wall interactions at Wendelstein 7-X

    Energy Technology Data Exchange (ETDEWEB)

    Neubauer, Olaf, E-mail: o.neubauer@fz-juelich.de [Institute of Energy and Climate Research, Forschungszentrum Jülich GmbH, D-52425 Jülich (Germany); Biel, Wolfgang; Czymek, Guntram; Denner, Peter [Institute of Energy and Climate Research, Forschungszentrum Jülich GmbH, D-52425 Jülich (Germany); Effenberg, Florian [University Wisconsin–Madison, Madison, WI (United States); Krämer-Flecken, Andreas; Liang, Yunfeng; Marchuk, Oleksandr; Offermanns, Guido; Rack, Michael; Samm, Ulrich [Institute of Energy and Climate Research, Forschungszentrum Jülich GmbH, D-52425 Jülich (Germany); Schmitz, Oliver [University Wisconsin–Madison, Madison, WI (United States); Schweer, Bernd [Laboratoire de Physique des Plasmas – Laboratorium voor Plasmafysica, ERM/KMS, 1000 Brussels (Belgium); Terra, Alexis [Institute of Energy and Climate Research, Forschungszentrum Jülich GmbH, D-52425 Jülich (Germany)

    2015-10-15

    Graphical abstract: - Highlights: • We are investigating plasma wall interactions at Wendelstein 7-X stellarator. • Steady state operation and island divertor are unique. • We are developing diagnostics for divertor plasma and plasma facing surfaces. • A multi-purpose fast manipulator allows for exposure of probes and samples. • Versatile endoscopes allow for local divertor spectroscopy from IR to UV. - Abstract: Wendelstein 7-X being the most advanced stellarator is currently prepared for commissioning at Greifswald. Forschungszentrum Jülich is preparing a research programme in the field of plasma wall interactions (PWI) by developing a dedicated set of diagnostic systems. The specific interest at Wendelstein 7-X is to understand PWI processes in presence of a 3D plasma boundary of an island divertor. Furthermore, for the first time steady state plasma at high density and low temperature in the divertor region will be available. Since PWI only could be understood in conjunction with the edge plasma properties the aim of the setup is to observe both the edge plasma as well as surface processes. For optimum combination of different diagnostic methods the edge diagnostic systems are aligned toroidally along one out of five magnetic islands. Main systems are a multipurpose fast probe manipulator, two gas boxes in opposite divertor modules together with two endoscopes each observing the divertor regions, a poloidal correlation reflectometer, a dispersion interferometer in the divertor, and VUV and X-ray spectroscopy in the plasma core. The concept of the diagnostic setup is presented in this paper.

  11. Investigation of corner shock boundary layer interactions to understand inlet unstart

    Science.gov (United States)

    Funderburk, Morgan

    2015-11-01

    Inlet unstart is a detrimental phenomenon in dual-mode ramjet/scramjet engines that causes severe loss of thrust, large transient structural load, and potentially a loss of the aircraft. In order to analyze the effects that the corner shock boundary layer interaction (SBLI) has on initiating and perpetuating inlet unstart, a qualitative and quantitative investigation into mean and dynamic features of corner SBLI at various Mach numbers is made. Surface streakline visualization showed that the corner SBLI is highly three-dimensional with a dominant presence of corner separation vortex. Further, the peak r.m.s. pressure was located at the periphery of corner separation vortex, suggesting that the unsteady loading is caused by the corner vortex. Power spectral densities of wall-pressure fluctuations in the peak r.m.s. location were analyzed in order to characterize the dominant frequencies of oscillation of the flow structures and to unravel the dynamic interactions between them in order to expand the operating margin of future hypersonic air breathing vehicles.

  12. Investigation of thermo-optical characteristics of the interaction processes of laser radiation with silver nanoparticles

    International Nuclear Information System (INIS)

    Pustovalov, V K; Astafyeva, L G

    2013-01-01

    Metallic nanoparticles have been actively investigated in recent years by different optical and laser methods with the purpose of their applications in optoelectronics and photonics, chemistry, laser nanobiomedicine, optical diagnostics, and other fields. A major role among metallic nanoparticles is played by nanoparticles from the noble metals (silver, gold, etc). These particles have unique plasmonic properties (resonances in the range of wavelength 400–540 nm), which can be used for the absorption, scattering and transformation of laser energy. Analysis of the thermo-optical characteristics of the interaction processes of laser radiation with silver nanoparticles is carried out, taking into account absorption, scattering and extinction of laser radiation by nanoparticles, as well as the thermo-optical and other properties of nanoparticles. Estimations are made of the influence of these nanoparticle properties on the possible results of laser radiation interaction with silver nanoparticles, including heating, heat exchange, possible melting and evaporation, and processes in the ambient media. These results can be used in laser processing of silver nanoparticles and their applications in laser nanomedicine. (paper)

  13. Investigation of the Interaction between Perovskite Films with Moisture via in Situ Electrical Resistance Measurement.

    Science.gov (United States)

    Hu, Long; Shao, Gang; Jiang, Tao; Li, Dengbing; Lv, Xinlin; Wang, Hongya; Liu, Xinsheng; Song, Haisheng; Tang, Jiang; Liu, Huan

    2015-11-18

    Organometal halide perovskites have recently emerged as outstanding semiconductors for solid-state optoelectronic devices. Their sensitivity to moisture is one of the biggest barriers to commercialization. In order to identify the effect of moisture in the degradation process, here we combined the in situ electrical resistance measurement with time-resolved X-ray diffraction analysis to investigate the interaction of CH3NH3PbI(3-x)Cl(x) perovskite films with moisture. Upon short-time exposure, the resistance of the perovskite films decreased and it could be fully recovered, which were ascribed to a mere chemisorption of water molecules, followed by the reversible hydration into CH3NH3PbI(3-x)Cl(x)·H2O. Upon long-time exposure, however, the resistance became irreversible due to the decomposition into PbI2. The results demonstrated the formation of monohydrated intermediate phase when the perovskites interacted with moisture. The role of moisture in accelerating the thermal degradation at 85 °C was also demonstrated. Furthermore, our study suggested that the perovskite films with fewer defects may be more inherently resistant to moisture.

  14. Mathematical investigation of tsunami-like long waves interaction with submerge dike of different thickness

    Science.gov (United States)

    Zhiltsov, Konstantin; Kostyushin, Kirill; Kagenov, Anuar; Tyryshkin, Ilya

    2017-11-01

    This paper presents a mathematical investigation of the interaction of a long tsunami-type wave with a submerge dike. The calculations were performed by using the freeware package OpenFOAM. Unsteady two-dimensional Navier-Stokes equations were used for mathematical modeling of incompressible two-phase medium. The Volume of Fluid (VOF) method is used to capture the free surface of a liquid. The effects caused by long wave of defined amplitude motion through a submerged dike of varying thickness were discussed in detail. Numerical results show that after wave passing through the barrier, multiple vortex structures were formed behind. Intensity of vortex depended on the size of the barrier. The effectiveness of the submerge barrier was estimated by evaluating the wave reflection and transmission coefficients using the energy integral method. Then, the curves of the dependences of the reflection and transmission coefficients were obtained for the interaction of waves with the dike. Finally, it was confirmed that the energy of the wave could be reduced by more than 50% when it passed through the barrier.

  15. Photochemistry of ethylene: A multireference configuration interaction investigation of the excited-state energy surfaces

    International Nuclear Information System (INIS)

    Barbatti, M.; Paier, J.; Lischka, H.

    2004-01-01

    Multireference configuration interaction with singles and doubles (MR-CISD) calculations have been performed for the optimization of conical intersections and stationary points on the ethylene excited-state energy surfaces using recently developed methods for the computation of analytic gradients and nonadiabatic coupling terms. Basis set dependence and the effect of various choices of reference spaces for the MR-CISD calculations have been investigated. The crossing seam between the S 0 and S 1 states has been explored in detail. This seam connects all conical intersections presently known for ethylene. Major emphasis has been laid on the hydrogen-migration path. Starting in the V state of twisted-orthogonal ethylene, a barrierless path to ethylidene was found. The feasibility of ethylidene formation will be important for the explanation of the relative yield of cis and trans H 2 elimination

  16. Protein-ligand interactions investigated by thermal shift assays (TSA) and dual polarization interferometry (DPI).

    Science.gov (United States)

    Grøftehauge, Morten K; Hajizadeh, Nelly R; Swann, Marcus J; Pohl, Ehmke

    2015-01-01

    Over the last decades, a wide range of biophysical techniques investigating protein-ligand interactions have become indispensable tools to complement high-resolution crystal structure determinations. Current approaches in solution range from high-throughput-capable methods such as thermal shift assays (TSA) to highly accurate techniques including microscale thermophoresis (MST) and isothermal titration calorimetry (ITC) that can provide a full thermodynamic description of binding events. Surface-based methods such as surface plasmon resonance (SPR) and dual polarization interferometry (DPI) allow real-time measurements and can provide kinetic parameters as well as binding constants. DPI provides additional spatial information about the binding event. Here, an account is presented of new developments and recent applications of TSA and DPI connected to crystallography.

  17. Investigation of the neutron-proton-interaction in the energy range from 20 to 50 MEV

    International Nuclear Information System (INIS)

    Wilczynski, J.

    1984-07-01

    In the framework of the investigation of the isospin singlet part of the nucleon-nucleon-interaction in the energy range below 100 MeV two experiments were conducted, which were selected by sensitivity calculations. At the Karlsruhe polarized neutron facility POLKA the analyzing powers Asub(y) and Asub(yy) of the elastic n vector-p- and n vector-p vector-scattering were measured in the energy range from 20 to 50 MeV. The results of this epxeriment are compared to older data. In the energy range from 20 to 50 MeV the new data were analyzed together with other selected data of the nucleon-nucleon-system in phase shift analyses. The knowledge of the isospin singlet phase shifts 1 P 1 and 3 D 3 was improved by the new data. (orig./HSI) [de

  18. The interaction between 4-aminoantipyrine and bovine serum albumin: Multiple spectroscopic and molecular docking investigations

    International Nuclear Information System (INIS)

    Teng Yue; Liu Rutao; Li Chao; Xia Qing; Zhang Pengjun

    2011-01-01

    4-Aminoantipyrine (AAP) is widely used in the pharmaceutical industry, in biochemical experiments and in environmental monitoring. AAP as an aromatic pollutant in the environment poses a great threat to human health. To evaluate the toxicity of AAP at the protein level, the effects of AAP on bovine serum albumin (BSA) were investigated by multiple spectroscopic techniques and molecular modeling. After the inner filter effect was eliminated, the experimental results showed that AAP effectively quenched the intrinsic fluorescence of BSA via static quenching. The number of binding sites, the binding constant, the thermodynamic parameters and binding subdomain were measured, and indicated that AAP could spontaneously bind with BSA on subdomain IIIA through electrostatic forces. Molecular docking results revealed that AAP interacted with the Glu 488 and Glu 502 residues of BSA. Furthermore, the conformation of BSA was demonstrably changed in the presence of AAP. The skeletal structure of BSA loosened, exposing internal hydrophobic aromatic ring amino acids and peptide strands to the solution.

  19. Parental divorce and disordered eating: an investigation of a gene-environment interaction.

    Science.gov (United States)

    Suisman, Jessica L; Burt, S Alexandra; McGue, Matt; Iacono, William G; Klump, Kelly L

    2011-03-01

    We investigated gene-environment interactions (GxE) for associations between parental divorce and disordered eating (DE). Participants were 1,810 female twins from the Michigan State University Twin Registry and the Minnesota Twin Family Study. The Minnesota Eating Behaviors Survey was used to assess DE. We tested for GxE by comparing the heritability of DE in twins from divorced versus intact families. It was hypothesized that divorce would moderate the heritability of DE, in that heritability would be higher in twins from divorced than twins from intact families. As expected, the heritability of body dissatisfaction was significantly higher in twins from divorced than intact families. However, genetic influences were equal in twins from divorced and intact families for all other forms of DE. Although divorce did not moderate heritability of most DE symptoms, future research should replicate GxEs for body dissatisfaction and identify factors underlying this unique relationship. Copyright © 2010 Wiley Periodicals, Inc.

  20. Fluorescence spectroscopic investigation of the interaction of citrinin with native and chemically modified cyclodextrins

    Energy Technology Data Exchange (ETDEWEB)

    Poór, Miklós, E-mail: poor.miklos@pte.hu [Department of Pharmacology and Pharmacotherapy, Toxicology Section, University of Pécs, Szigeti út 12, Pécs H-7624 (Hungary); Matisz, Gergely; Kunsági-Máté, Sándor [Department of General and Physical Chemistry, University of Pécs, Ifjúság útja 6, Pécs H-7624 (Hungary); János Szentágothai Research Center, Ifjúság útja 20, Pécs H-7624 (Hungary); Derdák, Diána [Department of General and Physical Chemistry, University of Pécs, Ifjúság útja 6, Pécs H-7624 (Hungary); Szente, Lajos [CycloLab Cyclodextrin Research & Development Laboratory Ltd., Illatos út 7, Budapest H-1097 (Hungary); and others

    2016-04-15

    Citrinin (CIT) is a nephrotoxic mycotoxin produced by several Aspergillus, Penicillium and Monascus species. CIT is unavoidable contaminant of different foods and drinks due to its wide occurrence and high thermal stability. For this reason, development of new, more sensitive analytical methods and decontamination strategies has high importance. In our study, the complex formation of CIT with native and chemically modified cyclodextrins was investigated using fluorescence spectroscopy. Furthermore, thermodynamic and molecular modeling studies were also performed for the deeper understanding of these host-guest interactions. Our results show that among the tested compounds methylated β-cyclodextrins form the most stable complexes with CIT and these derivatives cause the highest fluorescence enhancement of CIT as well. These observations recommend that some of the chemically modified derivatives show more favourable properties than the native cyclodextrin, and suggesting more promising analytical applicability and higher affinity as potential toxin binders.

  1. Environmental Stress Responses and Biological Interactions Investigated in the Drosophila Model System

    DEFF Research Database (Denmark)

    Ørsted, Michael

    on their ability to respond on a behavioral, physiological, morphological and/or evolutionary level according to the environmental cues. At the same time, if populations are small and fragmented, and have limited gene flow, environmental change and environmental stress might interact with intrinsic genetic stress...... such as inbreeding and genetic drift, which can exacerbate the effects of one or more environmental stresses. Furthermore, inbred populations often have low genetic variation that might constrain evolutionary responses to rapidly changing environments. This thesis investigates how, and to what extent, insect model......When organisms are faced with changes in their environment, they are forced to respond, if they are to maintain optimal function. Especially ectotherms must deal with environmental changes in e.g. temperature on a regular basis, and thus their survival and reproductive success depend...

  2. Investigation of fracture-matrix interaction: Preliminary experiments in a simple system

    International Nuclear Information System (INIS)

    Foltz, S.D.

    1992-01-01

    Paramount to the modeling of unsaturated flow and transport through fractured porous media is a clear understanding of the processes controlling fracture-matrix interaction. As a first step toward such an understanding, two preliminary experiments have been performed to investigate the influence of matrix imbibition on water percolation through unsaturated fractures in the plane normal to the fracture. Test systems consisted of thin slabs of either tuff or an analog material cut by a single vertical fracture into which a constant fluid flux was introduced. Transient moisture content and solute concentration fields were imaged by means of x-ray absorption. Flow fields associated with the two different media were significantly different owing to differences in material properties relative to the imposed flux. Richards' equation was found to be a valid means of modeling the imbibition of water into the tuff matrix from a saturated fracture for the current experiment

  3. Aircraft-based investigation of Dynamics-Aerosol-Chemistry-Cloud Interactions in Southern West Africa

    Science.gov (United States)

    Flamant, Cyrille

    2017-04-01

    The EU-funded project DACCIWA (Dynamics-Aerosol-Chemistry-Cloud Interactions in West Africa, http://www.dacciwa.eu) is investigating the relationship between weather, climate and air pollution in southern West Africa. The air over the coastal region of West Africa is a unique mixture of natural and anthropogenic gases, liquids and particles, emitted in an environment, in which multi-layer cloud decks frequently form. These exert a large influence on the local weather and climate, mainly due to their impact on radiation, the surface energy balance and thus the diurnal cycle of the atmospheric boundary layer. The main objective for the aircraft detachment was to build robust statistics of cloud properties in southern West Africa in different chemical landscapes to investigate the physical processes involved in their life cycle in such a complex chemical environment. As part of the DACCIWA field campaigns, three European aircraft (the German DLR Falcon 20, the French SAFIRE ATR 42 and the British BAS Twin Otter) conducted a total of 50 research flights across Ivory Coast, Ghana, Togo, and Benin from 27 June to 16 July 2016 for a total of 155 flight hours, including hours sponsored through 3 EUFAR projects. The aircraft were used in different ways based on their strengths, but all three had comparable instrumentation with the the capability to do gas-phase chemistry, aerosol and clouds, thereby generating a rich dataset of atmospheric conditions across the region. Eight types of flight objectives were conducted to achieve the goals of the DACCIWA: (i) Stratus clouds, (ii) Land-sea breeze clouds, (iii) Mid-level clouds, (iv) Biogenic emission, (v) City emissions, (vi) Flaring and ship emissions, (vii) Dust and biomass burning aerosols, and (viii) air-sea interactions. An overview of the DACCIWA aircraft campaign as well as first highlights from the airborne observations will be presented.

  4. Investigating the interactions of decentralized and centralized wastewater heat recovery systems.

    Science.gov (United States)

    Sitzenfrei, Robert; Hillebrand, Sebastian; Rauch, Wolfgang

    2017-03-01

    In the urban water cycle there are different sources for extracting energy. In addition to potential and chemical energy in the wastewater, thermal energy can also be recovered. Heat can be recovered from the wastewater with heat exchangers that are located decentralized and/or centralized at several locations throughout the system. It can be recovered directly at the source (e.g. in the showers and bathrooms), at building block level (e.g. warm water tanks collecting all grey water), in sewers or at the wastewater treatment plant. However, an uncoordinated installation of systems on such different levels can lead to competing technologies. To investigate these interactions, a modelling environment is set up, tested and calibrated based on continuous sewer temperature and flow measurements. With that approach different heat recovery scenarios on a household level (decentralized) and of in-sewer heat recovery (centralized) are investigated. A maximum performance drop of 40% for a centralized energy recovery system was estimated when all bathrooms are equipped with decentralized recovery systems. Therefore, the proposed modelling approach is suitable for testing different future conditions and to identify robust strategies for heat recovery systems from wastewater.

  5. Experimental investigation of wavy leading edges on rod-aerofoil interaction noise

    Science.gov (United States)

    Chen, Weijie; Qiao, Weiyang; Tong, Fan; Wang, Liangfeng; Wang, Xunnian

    2018-05-01

    Experimental studies are performed to investigate the effect of wavy leading edges on rod-aerofoil interaction noise in an open-jet anechoic wind tunnel. NACA 0012 aerofoils with straight and wavy leading edges (denoted by SLE and WLE, respectively) are embedded in the wake of a circular rod. The WLEs are in the form of sinusoidal profiles of amplitude, A, and wavelength, W. Parametric studies of the amplitude and wavelength characteristics are conducted to understand the effect of WLEs on noise reduction. It is observed that the sound power reduction level is sensitive to both the amplitude and wavelength of the WLEs. The WLE with the largest amplitude and smallest wavelength can achieve the most considerable noise reduction effect of up to 4 dB. The influences of rod diameter, d, and free-stream velocity, U0, on the noise reduction effect of the WLEs are also investigated. In addition, a parametric study of the influence of separating rod-aerofoil distance on the acoustic radiation of the SLE case and on the sound power reduction level of the WLE cases is performed. It is found that a critical spacing exists where the acoustic radiation and noise reduction can be divided into two different "modes".

  6. Investigation on the interaction between bovine serum albumin and 2,2-diphenyl-1-picrylhydrazyl

    Energy Technology Data Exchange (ETDEWEB)

    Li, Xiangrong [Department of Chemistry, School of Basic Medicine, Xinxiang Medical University, Xinxiang, Henan 453003 (China); Chen, Dejun; Wang, Gongke [School of Chemistry and Chemical Engineering, Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, Henan Normal University, 46 Jian-she Road, Mu Ye District, Xinxiang, Henan 453007 (China); Lu, Yan, E-mail: 1842457577@qq.com [School of Chemistry and Chemical Engineering, Key Laboratory of Green Chemical Media and Reactions, Ministry of Education, Henan Normal University, 46 Jian-she Road, Mu Ye District, Xinxiang, Henan 453007 (China)

    2014-12-15

    Albumin represents a very abundant and important circulating antioxidant in plasma. In this paper, the ability of bovine serum albumin (BSA) to scavenge 2,2-diphenyl-1-picrylhydrazyl (DPPH) radical has been investigated using UV–vis absorption spectra. The result shows that the antioxidant activity of BSA against DPPH radical is similar to glutathione and the value of IC{sub 50} is 5.153×10{sup −5} mol L{sup −1}. The interaction between BSA and DPPH has been investigated without or with the eight popular antioxidants (L-ascorbic acid, α-tocopherol, glutathione, melatonin, (+)-catechin hydrate, procyanidine B3, β-carotene and astaxanthin) by means of fluorescence spectroscopy and circular dichroism (CD) spectroscopy. The fluorescence experiments show that DPPH quenches the fluorescence intensity of BSA through a static mechanism. The quenching process of DPPH with BSA is easily affected by the eight antioxidants, however, they cannot change the quenching mechanism of DPPH with BSA. Additionally, as shown by synchronous fluorescence spectroscopy and CD, DPPH may induce conformational and microenvironmental changes of BSA. - Highlights: • The antioxidant activity of BSA against DPPH is similar to glutathione. • DPPH can quench the fluorescence of BSA through a static quenching. • One molecule of DPPH radical reduced by one molecule of BSA. • The eight antioxidants cannot change the quenching mechanism of DPPH with BSA. • The binding parameters are decreased by the introduction of the eight antioxidants.

  7. AN INVESTIGATION TO RESOLVE THE INTERACTION BETWEEN FUEL CELL, POWER CONDITIONING SYSTEM AND APPLICATION LOADS

    Energy Technology Data Exchange (ETDEWEB)

    Sudip K. Mazumder; Chuck McKintyre; Dan Herbison; Doug Nelson; Comas Haynes; Michael von Spakovsky; Joseph Hartvigsen; S. Elangovan

    2003-11-03

    Solid-Oxide Fuel Cell (SOFC) stacks respond quickly to changes in load and exhibit high part- and full-load efficiencies due to its rapid electrochemistry. However, this is not true for the thermal, mechanical, and chemical balance-of-plant subsystem (BOPS), where load-following time constants are, typically, several orders of magnitude higher. This dichotomy diminishes the reliability and performance of the electrode with increasing demand of load. Because these unwanted phenomena are not well understood, the manufacturers of SOFC use conservative schemes (such as, delayed load-following to compensate for slow BOPS response or expensive inductor filtering) to control stack responses to load variations. This limits the applicability of SOFC systems for load-varying stationary and transportation applications from a cost standpoint. Thus, a need exists for the synthesis of component- and system-level models of SOFC power-conditioning systems and the development of methodologies for investigating the system-interaction issues (which reduce the lifetime and efficiency of a SOFC) and optimizing the responses of each subsystem, leading to optimal designs of power-conditioning electronics and optimal control strategies, which mitigate the electrical-feedback effects. Equally important are ''multiresolution'' finite-element modeling and simulation studies, which can predict the impact of changes in system-level variables (e.g., current ripple and load-transients) on the local current densities, voltages, and temperature (these parameters are very difficult or cumbersome, if not impossible to obtain) within a SOFC cell. Towards that end, for phase I of this project, sponsored by the U.S. DOE (NETL), we investigate the interactions among fuel cell, power-conditioning system, and application loads and their effects on SOFC reliability (durability) and performance. A number of methodologies have been used in Phase I to develop the steady-state and transient

  8. Theoretical investigation of interaction between a rectangular plate and fractional viscoelastic foundation

    Directory of Open Access Journals (Sweden)

    Chengcheng Zhang

    2014-08-01

    Full Text Available The interaction between plates and foundations is a typical problem encountered in geotechnical engineering. The long-term plate performance is highly dependent on the rheological characteristics of ground soil. Compared with conventional linear rheology, the fractional calculus-based theory is a more powerful mathematical tool that can address this issue. This paper proposes a fractional Merchant model (FMM to investigate the time-dependent behavior of a simply supported rectangular plate on viscoelastic foundation. The correspondence principle involving Laplace transforms was employed to derive the closed-form solutions of plate response under uniformly distributed load. The plate deflection, bending moment, and foundation reaction calculated using the FMM were compared with the results obtained from the analogous elastic model (EM and the standard Merchant model (SMM. It is shown that the upper and lower bound solutions of the FMM can be determined using the EM. In addition, a parametric study was performed to examine the influences of the model parameters on the time-dependent behavior of the plate–foundation interaction problem. The results indicate that a small fractional differential order corresponds to a plate resting on a sandy soil foundation, while the fractional differential order value should be increased for a clayey soil foundation. The long-term performance of a foundation plate can be accurately simulated by varying the values of the fractional differential order and the viscosity coefficient. The observations from this study reveal that the proposed fractional model has the capability to capture the variation of plate deflection over many decades of time.

  9. Field Investigation of Stream-Aquifer Interactions: A Case Study in Coastal California

    Science.gov (United States)

    Pritchard-Peterson, D.; Malama, B.

    2017-12-01

    We report here results of a detailed investigation of the dynamic interaction between a stream and an alluvial aquifer at Swanton Pacific Ranch in the Scotts Creek watershed, Santa Cruz County, California. The aquifer is an important source of groundwater for cropland irrigation and for aquatic ecosystem support. Low summer base flows in Scotts Creek are a source of serious concern for land managers, fisheries biologists, and regulatory agencies due to the presence of federally protected steelhead trout and coho salmon. An understanding of the interaction between the stream and pumped aquifer will allow for assessment of the impacts of groundwater extraction on stream flows and is essential to establishing minimum flow requirements. This will aid in the development of sustainable riparian groundwater pumping practices that meet agricultural and ecological needs. Results of extensive direct-push sampling of the subsurface, laboratory falling-head permeameter tests and particle size analysis of aquifer sediments, multi-day pumping tests, long-term passive monitoring of aquifer hydraulic heads and stream stage and discharge, and electrical resistivity interrogation of the subsurface are reported here. Findings indicate that the permeable subsurface formation tapped by irrigation wells is a leaky semi-confined aquifer, overlain by a thin low permeability layer of silt and clay above which lies Scotts Creek. These results are particularly useful to land managers responsible for groundwater abstraction from wells that tap into the aquifer. Additionally, an index of stream-aquifer connectivity is proposed that would allow land managers to conveniently modify groundwater abstraction practices, minimizing concerns of stream depletion.

  10. Metabolic investigation of host/pathogen interaction using MS2-infected Escherichia coli

    Directory of Open Access Journals (Sweden)

    Jain Rishi

    2009-12-01

    Full Text Available Abstract Background RNA viruses are responsible for a variety of illnesses among people, including but not limited to the common cold, the flu, HIV, and ebola. Developing new drugs and new strategies for treating diseases caused by these viruses can be an expensive and time-consuming process. Mathematical modeling may be used to elucidate host-pathogen interactions and highlight potential targets for drug development, as well providing the basis for optimizing patient treatment strategies. The purpose of this work was to determine whether a genome-scale modeling approach could be used to understand how metabolism is impacted by the host-pathogen interaction during a viral infection. Escherichia coli/MS2 was used as the host-pathogen model system as MS2 is easy to work with, harmless to humans, but shares many features with eukaryotic viruses. In addition, the genome-scale metabolic model of E. coli is the most comprehensive model at this time. Results Employing a metabolic modeling strategy known as "flux balance analysis" coupled with experimental studies, we were able to predict how viral infection would alter bacterial metabolism. Based on our simulations, we predicted that cell growth and biosynthesis of the cell wall would be halted. Furthermore, we predicted a substantial increase in metabolic activity of the pentose phosphate pathway as a means to enhance viral biosynthesis, while a break down in the citric acid cycle was predicted. Also, no changes were predicted in the glycolytic pathway. Conclusions Through our approach, we have developed a technique of modeling virus-infected host metabolism and have investigated the metabolic effects of viral infection. These studies may provide insight into how to design better drugs. They also illustrate the potential of extending such metabolic analysis to higher order organisms, including humans.

  11. Experimental Investigation of Mechanical Properties of Black Shales after CO2-Water-Rock Interaction

    Directory of Open Access Journals (Sweden)

    Qiao Lyu

    2016-08-01

    Full Text Available The effects of CO2-water-rock interactions on the mechanical properties of shale are essential for estimating the possibility of sequestrating CO2 in shale reservoirs. In this study, uniaxial compressive strength (UCS tests together with an acoustic emission (AE system and SEM and EDS analysis were performed to investigate the mechanical properties and microstructural changes of black shales with different saturation times (10 days, 20 days and 30 days in water dissoluted with gaseous/super-critical CO2. According to the experimental results, the values of UCS, Young’s modulus and brittleness index decrease gradually with increasing saturation time in water with gaseous/super-critical CO2. Compared to samples without saturation, 30-day saturation causes reductions of 56.43% in UCS and 54.21% in Young’s modulus for gaseous saturated samples, and 66.05% in UCS and 56.32% in Young’s modulus for super-critical saturated samples, respectively. The brittleness index also decreases drastically from 84.3% for samples without saturation to 50.9% for samples saturated in water with gaseous CO2, to 47.9% for samples saturated in water with super-critical carbon dioxide (SC-CO2. SC-CO2 causes a greater reduction of shale’s mechanical properties. The crack propagation results obtained from the AE system show that longer saturation time produces higher peak cumulative AE energy. SEM images show that many pores occur when shale samples are saturated in water with gaseous/super-critical CO2. The EDS results show that CO2-water-rock interactions increase the percentages of C and Fe and decrease the percentages of Al and K on the surface of saturated samples when compared to samples without saturation.

  12. Investigations of the structure and electromagnetic interactions of few-body systems

    International Nuclear Information System (INIS)

    Lehman, D.R.; Haberzettl, H.; Maximon, L.C.; Parke, W.C.

    1992-07-01

    In order to make it easy for the reader to see the specific research carried out and the progress made, the following report of progress is done by topic. Each item has a format layout of Topic, Investigators, Objective, Significance, and Description of Progress, followed at the end by the relevant references. As is clear from the topics listed, the emphasis of the George Washington University (GWU) theory group has been on the structure and electromagnetic interactions of few-body nuclei. Both low- and intermediate-energy electromagnetic disintegration of these nuclei is considered. When the excitation energy of the target nucleus is low, the aim has been to handle the continuum part of the theoretical work numerically with no approximations, that is, by means of full three- or four-body dynamics. When structure questions axe the issue, numerically accurate calculations axe always carried through, limited only by the underlying two-body or three-body interactions used as input. Implicit in our work is the question of how far one can go within the traditional nuclear physics framework, i.e., nucleons and mesons in a nonrelativistic setting. Our central goal is to carry through state-of-the-art fewbody calculations that wig serve as a means of determining at what point standard nuclear physics requires quark degrees of freedom in order to understand the phenomena in question. So far, in the problems considered, there has been no evidence of the necessity to go beyond the traditional approach, though we always keep in mind that possibility. As our work is involved with questions in the intermediate-energy realm, moving from a nonrelativistic framework to a relativistic one is always a consideration. Currently, for the problems that have been pursued in this domain of energy, the issues concern far more the mechanisms of the reactions and structural questions than the need to move to relativistic dynamics

  13. Microfluidic biofunctionalisation protocols to form multi-valent interactions for cell rolling and phenotype modification investigations

    KAUST Repository

    Perozziello, Gerardo

    2013-07-01

    In this study, we propose a fast, simple method to biofunctionalise microfluidic systems for cellomic investigations based on micro-fluidic protocols. Many available processes either require expensive and time-consuming protocols or are incompatible with the fabrication of microfluidic systems. Our method differs from the existing since it is applicable to an assembled system, uses few microlitres of reagents and it is based on the use of microbeads. The microbeads have specific surface moieties to link the biomolecules and couple cell receptors. Furthermore, the microbeads serve as arm spacer and offer the benefit of the multi-valent interaction. Microfluidics was adapted together with topology and biochemistry surface modifications to offer the microenvironment for cellomic studies. Based on this principle, we exploit the streptavidin-biotin interaction to couple antibodies to the biofunctionalised microfluidic environment within 5 h using 200 μL of reagents and biomolecules. We selected the antibodies able to form complexes with the MHC class I (MHC-I) molecules present on the cell membrane and involved in the immune surveillance. To test the microfluidic system, tumour cell lines (RMA) were rolled across the coupled antibodies to recognise and strip MHC-I molecules. As result, we show that cell rolling performed inside a microfluidic chamber functionalised with beads and the opportune antibody facilitate the removal of MHC class I molecules. We showed that the level of median fluorescent intensity of the MHC-I molecules is 300 for cells treated in a not biofunctionalised surface. It decreased to 275 for cells treated in a flat biofunctionalised surface and to 250 for cells treated on a surface where biofunctionalised microbeads were immobilised. The cells with reduced expression of MHC-I molecules showed, after cytotoxicity tests, susceptibility 3.5 times higher than normal cells. © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Investigations of the structure and electromagnetic interactions of few-body systems

    International Nuclear Information System (INIS)

    Lehman, D.R.

    1991-07-01

    In order to make it easy for the reader to see the specific research carried out and the progress make, the following report of progress is done by topic. Each item has a format layout of Topic, Investigators, Objective, Significance, and Description of Progress, followed at the end by the relevant references. As is clear from the topics listed, the emphasis of the GWU theory group has been on the structure and electromagnetic interactions of few-body nuclei. Both low- and intermediate-energy electromagnetic disintegration of these nuclei is considered. When the excitation energy of the target nucleus is low, the aim has been carry out the continuum part of the theoretical work exactly, this is, by means of exact three- and four-body dynamics. When structure questions are the issue, exact calculations are always carried through, limited only by the underlying two-body or three-body interactions used as input. Implicit in our work is the question of how far one can go within the traditional nuclear physics framework, i.e., nucleons and mesons in a nonrelativistic setting. Our central goal is to carry through state-of-the-art few-body calculations that will serve as an unambiguous means of determining at what point standard nuclear physics requires quark degrees of freedom in order to understand the phenomena in question. So far, in the problems considered, there has been no evidence of the necessity to go beyond the traditional approach, though we always keep in mind that possibility. As our work is involved with questions in the intermediate-energy realm, moving from a nonrelativistic framework to a relativistic one is always a consideration. Currently, for the problems that have been pursued in this domain of energy, the issues concern far more the mechanisms of the reactions and structural questions than the need to move to relativistic dynamics

  15. Experimental Investigation of Mechanical Properties of Black Shales after CO2-Water-Rock Interaction

    Science.gov (United States)

    Lyu, Qiao; Ranjith, Pathegama Gamage; Long, Xinping; Ji, Bin

    2016-01-01

    The effects of CO2-water-rock interactions on the mechanical properties of shale are essential for estimating the possibility of sequestrating CO2 in shale reservoirs. In this study, uniaxial compressive strength (UCS) tests together with an acoustic emission (AE) system and SEM and EDS analysis were performed to investigate the mechanical properties and microstructural changes of black shales with different saturation times (10 days, 20 days and 30 days) in water dissoluted with gaseous/super-critical CO2. According to the experimental results, the values of UCS, Young’s modulus and brittleness index decrease gradually with increasing saturation time in water with gaseous/super-critical CO2. Compared to samples without saturation, 30-day saturation causes reductions of 56.43% in UCS and 54.21% in Young’s modulus for gaseous saturated samples, and 66.05% in UCS and 56.32% in Young’s modulus for super-critical saturated samples, respectively. The brittleness index also decreases drastically from 84.3% for samples without saturation to 50.9% for samples saturated in water with gaseous CO2, to 47.9% for samples saturated in water with super-critical carbon dioxide (SC-CO2). SC-CO2 causes a greater reduction of shale’s mechanical properties. The crack propagation results obtained from the AE system show that longer saturation time produces higher peak cumulative AE energy. SEM images show that many pores occur when shale samples are saturated in water with gaseous/super-critical CO2. The EDS results show that CO2-water-rock interactions increase the percentages of C and Fe and decrease the percentages of Al and K on the surface of saturated samples when compared to samples without saturation. PMID:28773784

  16. Experimental Investigation of Mechanical Properties of Black Shales after CO₂-Water-Rock Interaction.

    Science.gov (United States)

    Lyu, Qiao; Ranjith, Pathegama Gamage; Long, Xinping; Ji, Bin

    2016-08-06

    The effects of CO₂-water-rock interactions on the mechanical properties of shale are essential for estimating the possibility of sequestrating CO₂ in shale reservoirs. In this study, uniaxial compressive strength (UCS) tests together with an acoustic emission (AE) system and SEM and EDS analysis were performed to investigate the mechanical properties and microstructural changes of black shales with different saturation times (10 days, 20 days and 30 days) in water dissoluted with gaseous/super-critical CO₂. According to the experimental results, the values of UCS, Young's modulus and brittleness index decrease gradually with increasing saturation time in water with gaseous/super-critical CO₂. Compared to samples without saturation, 30-day saturation causes reductions of 56.43% in UCS and 54.21% in Young's modulus for gaseous saturated samples, and 66.05% in UCS and 56.32% in Young's modulus for super-critical saturated samples, respectively. The brittleness index also decreases drastically from 84.3% for samples without saturation to 50.9% for samples saturated in water with gaseous CO₂, to 47.9% for samples saturated in water with super-critical carbon dioxide (SC-CO₂). SC-CO₂ causes a greater reduction of shale's mechanical properties. The crack propagation results obtained from the AE system show that longer saturation time produces higher peak cumulative AE energy. SEM images show that many pores occur when shale samples are saturated in water with gaseous/super-critical CO₂. The EDS results show that CO₂-water-rock interactions increase the percentages of C and Fe and decrease the percentages of Al and K on the surface of saturated samples when compared to samples without saturation.

  17. Significance of investigating allelopathic interactions of marine organisms in the discovery and development of cytotoxic compounds

    Digital Repository Service at National Institute of Oceanography (India)

    Singh, A.; Thakur, N.L.

    like (1) growth interactions (e.g. overgrowth by corals) [27], (2) aggressive behaviour (e.g., induced development of sweeper tentacles by bryozoans [28], (3) feeding interactions (e.g., extracoelenteric digestion via mesenteries filaments...

  18. Interactions between {beta}-carboline alkaloids and bovine serum albumin: Investigation by spectroscopic approach

    Energy Technology Data Exchange (ETDEWEB)

    Nafisi, Shohreh, E-mail: drshnafisi@gmail.com [Department of Chemistry, Islamic Azad University, Central Tehran Branch (IAUCTB), Tehran (Iran, Islamic Republic of); Panahyab, Ataollah [Department of Chemistry, Islamic Azad University, Central Tehran Branch (IAUCTB), Tehran (Iran, Islamic Republic of); Bagheri Sadeghi, Golshan [Department of Biology, Islamic Azad University, Science and Research Branch, Tehran (Iran, Islamic Republic of)

    2012-09-15

    {beta}-Carboline alkaloids are present in medicinal plants such as Peganum harmala L. that have been used as folk medicine in anticancer therapy. BSA is the major soluble protein constituent of the circulatory system, and has many physiological functions including the transport of a variety of compounds. This study is the first attempt to investigate the binding of {beta}-carboline alkaloids to BSA by using a constant protein concentration and varying drug concentrations at pH 7.2. FTIR and UV-Vis spectroscopic methods were used to analyze the binding modes of {beta}-carboline alkaloids, the binding constants and the effects of drug complexation on BSA stability and conformation. Spectroscopic evidence showed that {beta}-carboline alkaloids bind BSA via hydrophobic interaction and van der Waals contacts along with H-bonding with the -NH groups, with overall binding constants of K{sub harmine-BSA}=2.04 Multiplication-Sign 10{sup 4} M{sup -1}, K{sub tryptoline-BSA}=1.2 Multiplication-Sign 10{sup 4} M{sup -1}, K{sub harmaline-BSA}=5.04 Multiplication-Sign 10{sup 3} M{sup -1}, K{sub harmane-BSA}=1.41 Multiplication-Sign 10{sup 3} M{sup -1} and K{sub harmalol-BSA}=1.01 Multiplication-Sign 10{sup 3} M{sup -1}, assuming that there is one drug molecule per protein. The BSA secondary structure was altered with a major decrease of {alpha}-helix from 64% (free protein) to 59% (BSA-harmane), 56% (BSA-harmaline and BSA-harmine), 55% (BSA-tryptoline), 54% (BSA-harmalol) and {beta}-sheet from 15% (free protein) to 6-8% upon {beta}-carboline alkaloids complexation, inducing a partial protein destabilization. - Highlights: Black-Right-Pointing-Pointer We model the binding of {beta}-carboline alkaloids to BSA by using the spectroscopic methods. Black-Right-Pointing-Pointer We investigate the effects of drug complexation on BSA stability and conformation. Black-Right-Pointing-Pointer A partial protein destabilization occurred at high alkaloids concentration. Black

  19. Investigation of a Potential Pharmacokinetic Interaction Between Nebivolol and Fluvoxamine in Healthy Volunteers.

    Science.gov (United States)

    Gheldiu, Ana-Maria; Vlase, Laurian; Popa, Adina; Briciu, Corina; Muntean, Dana; Bocsan, Corina; Buzoianu, Anca; Achim, Marcela; Tomuta, Ioan; Todor, Ioana; Neag, Maria

    2017-01-01

    To investigate whether fluvoxamine coadministration can influence the pharmacokinetic properties of nebivolol and its active hydroxylated metabolite (4-OH-nebivolol) and to assess the consequences of this potential pharmacokinetic interaction upon nebivolol pharmacodynamics. This open-label, non-randomized, sequential clinical trial consisted of two periods: Period 1 (Reference), during which each volunteer received a single dose of 5 mg nebivolol and Period 2 (Test), when a combination of 5 mg nebivolol and 100 mg fluvoxamine was given to all subjects, after a 6-days pretreatment regimen with fluvoxamine (50-100 mg/day). Non-compartmental analysis was used to determine the pharmacokinetic parameters of nebivolol and its active metabolite. The pharmacodynamic parameters (blood pressure and heart rate) were assessed at rest after each nebivolol intake, during both study periods. Fluvoxamine pretreatment increased Cmax and AUC0-∞  of nebivolol (Cmax: 1.67 ± 0.690  vs 2.20 ± 0.970  ng/mL; AUC0-∞: 12.1 ± 11.0  vs 19.3 ± 19.5  ng*h/mL ) and of its active metabolite (Cmax: 0.680  ± 0.220  vs 0.960 ± 0.290  ng/mL; AUC0-∞: 17.6 ±20.1  vs 25.5 ± 29.9  ng*h/mL). Apart from Cmax,AUC0-t and AUC0-∞, the other pharmacokinetic parameters (tmax, kel and t½) were not significantly different between study periods. As for the pharmacodynamic analysis, decreases in blood pressure and heart rate after nebivolol administration were similar with and without fluvoxamine concomitant intake. Due to enzymatic inhibition, fluvoxamine increases the exposure to nebivolol and its active hydroxylated metabolite in healthy volunteers. This did not influence the blood pressure and heart-rate lowering effects of the beta-blocker administered as single-dose. However, more detail studies involving actual patients are required to further investigate the clinical relevance of this drug interaction. This article is open to POST-PUBLICATION REVIEW. Registered readers (see "For

  20. Interactions between β-carboline alkaloids and bovine serum albumin: Investigation by spectroscopic approach

    International Nuclear Information System (INIS)

    Nafisi, Shohreh; Panahyab, Ataollah; Bagheri Sadeghi, Golshan

    2012-01-01

    β-Carboline alkaloids are present in medicinal plants such as Peganum harmala L. that have been used as folk medicine in anticancer therapy. BSA is the major soluble protein constituent of the circulatory system, and has many physiological functions including the transport of a variety of compounds. This study is the first attempt to investigate the binding of β-carboline alkaloids to BSA by using a constant protein concentration and varying drug concentrations at pH 7.2. FTIR and UV–Vis spectroscopic methods were used to analyze the binding modes of β-carboline alkaloids, the binding constants and the effects of drug complexation on BSA stability and conformation. Spectroscopic evidence showed that β-carboline alkaloids bind BSA via hydrophobic interaction and van der Waals contacts along with H-bonding with the –NH groups, with overall binding constants of K harmine–BSA =2.04×10 4 M −1 , K tryptoline–BSA =1.2×10 4 M −1 , K harmaline–BSA =5.04×10 3 M −1 , K harmane–BSA =1.41×10 3 M −1 and K harmalol–BSA =1.01×10 3 M −1 , assuming that there is one drug molecule per protein. The BSA secondary structure was altered with a major decrease of α-helix from 64% (free protein) to 59% (BSA–harmane), 56% (BSA–harmaline and BSA–harmine), 55% (BSA–tryptoline), 54% (BSA–harmalol) and β-sheet from 15% (free protein) to 6–8% upon β-carboline alkaloids complexation, inducing a partial protein destabilization. - Highlights: ► We model the binding of β-carboline alkaloids to BSA by using the spectroscopic methods. ► We investigate the effects of drug complexation on BSA stability and conformation. ► A partial protein destabilization occurred at high alkaloids concentration. ► Alkaloids bind BSA via hydrophobic interactions and H-bonding with the ---NH groups. ► BSA can be considered as a good carrier for transportation of β-carboline alkaloids.

  1. Low-temperature nuclear magnetic resonance investigation of systems frustrated by competing exchange interactions

    Science.gov (United States)

    Roy, Beas

    This doctoral thesis emphasizes on the study of frustrated systems which form a very interesting class of compounds in physics. The technique used for the investigation of the magnetic properties of the frustrated materials is Nuclear Magnetic Resonance (NMR). NMR is a very novel tool for the microscopic study of the spin systems. NMR enables us to investigate the local magnetic properties of any system exclusively. The NMR experiments on the different systems yield us knowledge of the static as well as the dynamic behavior of the electronic spins. Frustrated systems bear great possibilities of revelation of new physics through the new ground states they exhibit. The vandates AA'VO(PO4)2 [AA' ≡ Zn2 and BaCd] are great prototypes of the J1-J2 model which consists of magnetic ions sitting on the corners of a square lattice. Frustration is caused by the competing nearest-neighbor (NN) and next-nearest neighbor (NNN) exchange interactions. The NMR investigation concludes a columnar antiferromagnetic (AFM) state for both the compounds from the sharp peak of the nuclear spin-lattice relaxation rate (1/T1) and a sudden broadening of the 31P-NMR spectrum. The important conclusion from our study is the establishment of the first H-P-T phase diagram of BaCdVO(PO4)2. Application of high pressure reduces the saturation field (HS) in BaCdVO(PO4)2 and decreases the ratio J2/J1, pushing the system more towards a questionable boundary (a disordered ground state) between the columnar AFM and a ferromagnetic ground state. A pressure up to 2.4 GPa will completely suppress HS. The Fe ions in the `122' iron-arsenide superconductors also sit on a square lattice thus closely resembling the J1-J2 model. The 75As-NMR and Nuclear Quadrupole Resonance (NQR) experiments are conducted in the compound CaFe2As2 prepared by two different heat treatment methods (`as-grown' and `annealed'). Interestingly the two samples show two different ground states. While the ground state of the `as

  2. Investigating the effects of nitrous oxide sedation on frontal-parietal interactions.

    Science.gov (United States)

    Ryu, Ji-Ho; Kim, Pil-Jong; Kim, Hong-Gee; Koo, Yong-Seo; Shin, Teo Jeon

    2017-06-09

    Although functional connectivity has received considerable attention in the study of consciousness, few studies have investigated functional connectivity limited to the sedated state where consciousness is maintained but impaired. The aim of the present study was to investigate changes in functional connectivity of the parietal-frontal network resulting from nitrous oxide-induced sedation, and to determine the neural correlates of cognitive impairment during consciousness transition states. Electroencephalography was acquired from healthy adult patients who underwent nitrous oxide inhalation to induce cognitive impairment, and was analyzed using Granger causality (GC). Periods of awake, sedation and recovery for GC between frontal and parietal areas in the delta, theta, alpha, beta, gamma and total frequency bands were obtained. The Friedman test with post-hoc analysis was conducted for GC values of each period for comparison. As a sedated state was induced by nitrous oxide inhalation, power in the low frequency band showed increased activity in frontal regions that was reversed with discontinuation of nitrous oxide. Feedback and feedforward connections analyzed in spectral GC were changed differently in accordance with EEG frequency bands in the sedated state by nitrous oxide administration. Calculated spectral GC of the theta, alpha, and beta frequency regions in the parietal-to-frontal direction was significantly decreased in the sedated state while spectral GC in the reverse direction did not show significant change. Frontal-parietal functional connectivity is significantly affected by nitrous oxide inhalation. Significantly decreased parietal-to-frontal interaction may induce a sedated state. Copyright © 2017 Elsevier B.V. All rights reserved.

  3. An Investigation to Resolve the Interaction Between Fuel Cell, Power Conditioning System and Application Loads

    Energy Technology Data Exchange (ETDEWEB)

    Sudip K. Mazumder

    2005-12-31

    Development of high-performance and durable solidoxide fuel cells (SOFCs) and a SOFC power-generating system requires knowledge of the feedback effects from the power-conditioning electronics and from application-electrical-power circuits that may pass through or excite the power-electronics subsystem (PES). Therefore, it is important to develop analytical models and methodologies, which can be used to investigate and mitigate the effects of the electrical feedbacks from the PES and the application loads (ALs) on the reliability and performance of SOFC systems for stationary and non-stationary applications. However, any such attempt to resolve the electrical impacts of the PES on the SOFC would be incomplete unless one utilizes a comprehensive analysis, which takes into account the interactions of SOFC, PES, balance-of-plant system (BOPS), and ALs as a whole. SOFCs respond quickly to changes in load and exhibit high part- and full-load efficiencies due to its rapid electrochemistry, which is not true for the thermal and mechanical time constants of the BOPS, where load-following time constants are, typically, several orders of magnitude higher. This dichotomy can affect the lifetime and durability of the SOFCSs and limit the applicability of SOFC systems for load-varying stationary and transportation applications. Furthermore, without validated analytical models and investigative design and optimization methodologies, realizations of cost-effective, reliable, and optimal PESs (and power-management controls), in particular, and SOFC systems, in general, are difficult. On the whole, the research effort can lead to (a) cost-constrained optimal PES design for high-performance SOFCS and high energy efficiency and power density, (b) effective SOFC power-system design, analyses, and optimization, and (c) controllers and modulation schemes for mitigation of electrical impacts and wider-stability margin and enhanced system efficiency.

  4. Applying Geospatial Techniques to Investigate Boundary Layer Land-Atmosphere Interactions Involved in Tornadogensis

    Science.gov (United States)

    Weigel, A. M.; Griffin, R.; Knupp, K. R.; Molthan, A.; Coleman, T.

    2017-12-01

    Northern Alabama is among the most tornado-prone regions in the United States. This region has a higher degree of spatial variability in both terrain and land cover than the more frequently studied North American Great Plains region due to its proximity to the southern Appalachian Mountains and Cumberland Plateau. More research is needed to understand North Alabama's high tornado frequency and how land surface heterogeneity influences tornadogenesis in the boundary layer. Several modeling and simulation studies stretching back to the 1970's have found that variations in the land surface induce tornadic-like flow near the surface, illustrating a need for further investigation. This presentation introduces research investigating the hypothesis that horizontal gradients in land surface roughness, normal to the direction of flow in the boundary layer, induce vertically oriented vorticity at the surface that can potentially aid in tornadogenesis. A novel approach was implemented to test this hypothesis using a GIS-based quadrant pattern analysis method. This method was developed to quantify spatial relationships and patterns between horizontal variations in land surface roughness and locations of tornadogenesis. Land surface roughness was modeled using the Noah land surface model parameterization scheme which, was applied to MODIS 500 m and Landsat 30 m data in order to compare the relationship between tornadogenesis locations and roughness gradients at different spatial scales. This analysis found a statistical relationship between areas of higher roughness located normal to flow surrounding tornadogenesis locations that supports the tested hypothesis. In this presentation, the innovative use of satellite remote sensing data and GIS technologies to address interactions between the land and atmosphere will be highlighted.

  5. Investigation of antioxidant interactions between Radix Astragali and Cimicifuga foetida and identification of synergistic antioxidant compounds.

    Directory of Open Access Journals (Sweden)

    Fei Wang

    Full Text Available The medicinal plants of Huang-qi (Radix Astragali and Sheng-ma (Cimicifuga foetida demonstrate significantly better antioxidant effects when used in combination than when used alone. However, the bioactive components and interactional mechanism underlying this synergistic action are still not well understood. In the present study, 2,2-diphenyl-1-picrylhydrazyl (DPPH radical scavenging assay was employed to investigate the antioxidant capacity of single herbs and their combination with the purpose of screening synergistic antioxidant compounds from them. Chromatographic isolation was performed on silica gel, Sephadex LH-20 columns and HPLC, and consequently to yield formononetin, calycosin, ferulic acid and isoferulic acid, which were identified by their retention time, UV λmax, MS and MS/MS data. The combination of isoferulic acid and calycosin at a dose ratio of 1∶1 resulted in significant synergy in scavenging DPPH radicals and ferric reducing antioxidant power (FRAP assay. Furthermore, the protective effects of these four potential synergistic compounds were examined using H2O2-induced HepG2 Cells bioassay. Results revealed that the similar synergy was observed in the combination of isoferulic acid and calycosin. These findings might provide some theoretical basis for the purported synergistic efficiency of Huang-qi and Sheng-ma as functional foods, dietary supplements and medicinal drugs.

  6. Investigation of molten corium-concrete interaction phenomena and aerosol release

    International Nuclear Information System (INIS)

    Spencer, B.W.; Thompson, D.H.; Armstrong, D.R.; Fink, J.K.; Gunther, W.H.; Kilsdonk, D.J.; Sehgal, B.R.

    1987-01-01

    The Electric Power Research Institute is sponsoring a program of laboratory investigations at Argonne National Laboratory to study the interaction between molten core materials and reactor concrete basemats during postulated severe reactor accidents, with particular emphasis on measurements of the magnitude and chemical species present in the aerosol releases. The approach in this program is to sustain internal heat generation in reactor-material corium using direct electrical heating and to develop test operating and diagnostics capabilities with a series of small- and intermediate-scale scoping tests followed by fully instrumented large-scale testing. Real reactor materials (UO 2 , ZrO 2 , oxides of stainless steel, plus metallics) are used, with small amounts of La 2 O 3 , BaO, and SrO added to simulate nonvolatile fission products. In intermediate-scale scoping tests completed to date, corium inventories of up to 29 kg have been heated with power inputs in excess of 1 kW/kg melt. The measured concrete ablation rates have ranged from 0.9 to 3.9 mm/minute. Aerosol samples have been examined using a scanning electron microscope and show submicron particles, 2-6 micrometer spheres, and agglomerates that range from a few micrometers to string 13 micrometers in length

  7. Investigating Power System Primary and Secondary Reserve Interaction under High Wind Power Penetration

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Yingchen [National Renewable Energy Lab. (NREL), Golden, CO (United States); Tan, Jin [National Renewable Energy Lab. (NREL), Golden, CO (United States); Krad, Ibrahim [National Renewable Energy Lab. (NREL), Golden, CO (United States); Yang, Rui [National Renewable Energy Lab. (NREL), Golden, CO (United States); Gevorgian, Vahan [National Renewable Energy Lab. (NREL), Golden, CO (United States); Ela, Erik [Electric Power Research Inst. (EPRI), Knoxville, TN (United States)

    2016-12-01

    Power system frequency needs to be maintained close to its nominal value at all times to successfully balance load and generation and maintain system reliability. Adequate primary frequency response and secondary frequency response are the primary forces to correct an energy imbalance at the second-to-minute level. As wind energy becomes a larger portion of the world's energy portfolio, there is an increased need for wind to provide frequency response. This paper addresses one of the major concerns about using wind for frequency regulation: the unknown factor of the interaction between primary and secondary reserves. The lack of a commercially available tool to model this has limited the energy industry's understanding of when the depletion of primary reserves will impact the performance of secondary response or vice versa. This paper investigates the issue by developing a multi-area frequency response integration tool with combined primary and secondary capabilities. The simulation is conducted in close coordination with economical energy scheduling scenarios to ensure credible simulation results.

  8. Man-made materials : An exciting area for hyperfine-interaction investigation

    International Nuclear Information System (INIS)

    Freeman, A.; Wu, R.

    1996-01-01

    Man-made low-dimensional magnetic systems including surfaces, interfaces and multilayers, have attracted a great amount of attention in the past decade because, as expected, the lowered symmetry and coordination number offer a variety of opportunities for inducing new and exotic phenomena and so hold out the promise of new device applications. Local spin density functional (LSDF) ab initio electronic-structure calculations employing the full-potential -linearized augmented-plane-wave (FLAPW) method have played a key role in the development of this exciting field by not only providing a clearer understanding of the experimental observations but also predicting new systems with desired properties. One of the striking successes of theory in the last decade has been the calculation of hyperfine fields at surfaces and interfaces. Concurrently, several groups have followed the pioneering work of Korecki and Gradmann and have measured hyperfine fields at surfaces and interfaces. In this paper, it is reviewed new features of hyperfine-interaction investigations in man-made materials which are essential because the hyperfine field is not proportional to the magnetization and so interpretations of experiment are totally dependent on theory

  9. Stapled peptides as a new technology to investigate protein-protein interactions in human platelets.

    Science.gov (United States)

    Iegre, Jessica; Ahmed, Niaz S; Gaynord, Josephine S; Wu, Yuteng; Herlihy, Kara M; Tan, Yaw Sing; Lopes-Pires, Maria E; Jha, Rupam; Lau, Yu Heng; Sore, Hannah F; Verma, Chandra; O' Donovan, Daniel H; Pugh, Nicholas; Spring, David R

    2018-05-28

    Platelets are blood cells with numerous crucial pathophysiological roles in hemostasis, cardiovascular thrombotic events and cancer metastasis. Platelet activation requires the engagement of intracellular signalling pathways that involve protein-protein interactions (PPIs). A better understanding of these pathways is therefore crucial for the development of selective anti-platelet drugs. New strategies for studying PPIs in human platelets are required to overcome limitations associated with conventional platelet research methods. For example, small molecule inhibitors can lack selectivity and are often difficult to design and synthesise. Additionally, development of transgenic animal models is costly and time-consuming and conventional recombinant techniques are ineffective due to the lack of a nucleus in platelets. Herein, we describe the generation of a library of novel, functionalised stapled peptides and their first application in the investigation of platelet PPIs. Moreover, the use of platelet-permeable stapled Bim BH3 peptides confirms the part of Bim in phosphatidyl-serine (PS) exposure and reveals a role for the Bim protein in platelet activatory processes. Our work demonstrates that functionalised stapled peptides are a complementary alternative to conventional platelet research methods, and could make a significant contribution to the understanding of platelet signalling pathways and hence to the development of anti-platelet drugs.

  10. Biomimetic Proteoglycan Interactions with Type I Collagen Investigated via 2D and 3D TEM

    Science.gov (United States)

    Moorehead, Carli

    Collagen is one of the leading components in extracellular matrix (ECM), providing durability, structural integrity, and functionality for many tissues. Regulation of collagen fibrillogenesis and degradation is important in the treatment of a number of diseases from orthopedic injuries to genetic deficiencies. Recently, novel, biocompatible, semi-synthetic biomimetic proteoglycans (BPGs) were developed, which consist of an enzymatically resistant synthetic polymer core and natural chondroitin sulfate bristles. It was demonstrated that BPGs affect type I collagen fibrillogenesis in vitro, as reflected by their impact delaying the kinetic formation of gels similar to native PGs. This indicates that the morphology of collagen scaffolds as well as endogenous ECM could also be modulated by these proteoglycan mimics. However, the imaging modality used previously, reflectance confocal microscopy, did not yield the resolution necessary to spatially localize BPGs within the collagen network or investigate the effect of BPGs on the quality of collagen fibrils produced in an in vitro fibrillogenesis model which is important for understanding the method of interaction. Consequently, a histological technique, electron tomography, was adapted and utilized to 3D image the nano-scale structures within this simplified tissue model. BPGs were found to aid in lateral growth and enhance fibril banding periodicity resulting in structures more closely resembling those in tissue, in addition to attaching to the collagen surface despite the lack of a protein core.

  11. A theoretical and experimental investigation of the interaction between gas molecules and cryogenic surfaces

    International Nuclear Information System (INIS)

    Varlam, M.; Steflea, D.; Chiriloaie, N.

    1992-01-01

    The cryo-pumping performance of a cryo-surface subjected to the impingement of low-pressure, thermal-velocity air flow is experimentally and theoretically investigated. Our purpose is to determine the angular dependence of capture coefficients for gas molecules incident on a cryogenic surface under conditions closely approximating those prevailing in cryo-pumped high vacuum chambers. The classical model for the interaction of gas atoms and the solid surface - the 'soft-tube' model - is developed and the basic assumption are examined. Starting from this theory we have calculated the capture coefficient of the Ag - N system and these values are discussed in terms of principal parameters considered. Despite the many simplifying assumptions, this model has the important attribute that it yields closed-form expressions for the capture coefficient of gas molecules. The molecular beam technique offers a direct experimental method for determining the capture coefficient for molecules with given angles of incidence by measuring the incident and reflected molecular fluxes. An experimental setup is also designed and the method for determining these coefficients is proposed. (Author)

  12. Density functional theory investigation of oxygen interaction with boron-doped graphite

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Juan; Wang, Chen [State Key Lab of New Ceramic and Fine Processing, Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China); Liang, Tongxiang, E-mail: txliang@tsinghua.edu.cn [State Key Lab of New Ceramic and Fine Processing, Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China); Lai, Wensheng [Advanced Material Laboratory, School of Materials Science & Engineering, Tsinghua University, Beijing, 100084 (China)

    2016-12-30

    Highlights: • Density-functional approach is applied to study the interaction of oxygen with boron-doped graphite. • Adsorption and diffusion of oxygen atoms on boron doped graphite surfaces are studied. • Recombination of oxygen is investigated by ER and LH mechanisms. • Low boron concentration facilitates O{sub 2} formation while high boron loading inhibits the recombination. • The presence of B−B bonds due to boron accumulation makes it impossible for oxygen recombination. - Abstract: Boron inserted as impurity by substitution of carbon atoms in graphite is known to change (improve or deteriorate) oxidation resistance of nuclear graphite, but the reason for both catalytic and inhibiting oxidation is still uncertain. As a first step, this work is more specially devoted to the adsorption and diffusion of oxygen atoms on the surface and related to the problem of oxygen retention on the pure and boron-containing graphite surfaces. Adsorption energies and energy barriers associated to the diffusion for molecular oxygen recombination are calculated in the density functional theory framework. The existence of boron modifies the electronic structure of the surface, which results in an increase of the adsorption energy for O. However, low boron loading makes it easier for the recombination into molecular oxygen. For high boron concentration, it induces a better O retention capability in graphite because the presence of B-B bonds decreases recombination of the adsorbed oxygen atoms. A possible explanation for both catalytic and inhibiting effects of boron in graphite is proposed.

  13. Investigation of ferromagnetic spinel semiconductors by hyperfine interactions of implanted nuclear probes

    CERN Document Server

    Samokhvalov, V; Dietrich, M; Schneider, F; Tiginyanu, I M; Tsurkan, V; Unterricker, S

    2003-01-01

    The semiconducting ferromagnetic spinel compounds CdCr//2Se //4, CdCr //2S//4, HgCr//2Se//4 and CuCr//2Se//4 (metallic) were investigated by the perturbed angular correlations (PAC) method with the radioactive probes **1**1**1In, **1**1**1**mCd, **1**1**1Ag, **1**1**7Cd, **1**9**9**mHg and **7**7Br. The probes were implanted at the ISOLDE on-line separator (CERN-Geneva) into single crystals. From the time dependence of the PAC spectra and the measured hyperfine interaction parameters: electric field gradient and magnetic hyperfine field, the probe positions and the thermal behavior of the probes could be determined. Cd, Ag and Hg are substituted at the A-site, In at the A- and B-site in the semiconducting compounds and Br at the anion position. Electric and magnetic hyperfine fields were used as test quantities for theoretical charge and spin density distributions of LAPW calculations (WIEN97).

  14. Use of a Rabbit Soft Tissue Chamber Model to Investigate Campylobacter jejuni - Host Interactions

    Directory of Open Access Journals (Sweden)

    Annika eFlint

    2010-11-01

    Full Text Available Despite the prevalence of C. jejuni as an important food borne pathogen, the microbial factors governing its infection process are poorly characterized. In this study, we developed a novel rabbit soft tissue chamber model to investigate C. jejuni interactions with its host. The in vivo transcriptome profile of C. jejuni was monitored as a function of time post-infection by competitive microarray hybridization with cDNA obtained from C. jejuni grown in vitro. Genome-wide expression analysis identified 449 genes expressed at significantly different levels in vivo. Genes implicated to play important roles in early colonization of C. jejuni within the tissue chamber include up-regulation of genes involved in ribosomal protein synthesis and modification, heat shock response, and primary adaptation to the host environment (DccSR regulon. Genes encoding proteins involved in the TCA cycle and flagella related components were found to be significantly down regulated during early colonization. Oxidative stress defense and stringent response genes were found to be maximally induced during the acute infectious phase. Overall, these findings reveal possible mechanisms involved in adaptation of Campylobacter to the host.

  15. Numerical Investigation of the Interaction of Counterflowing Jets and Supersonic Capsule Flows

    Science.gov (United States)

    Venkatachari, Balaji Shankar; Ito, Yasushi; Cheng, Gary; Chang, Chau-Lyan

    2011-01-01

    Use of counterflowing jets ejected into supersonic freestreams as a flow control concept to modify the external flowfield has gained renewed interest with regards to potential retropropulsion applications pertinent to entry, descent, and landing investigations. This study describes numerical computations of such a concept for a scaled wind-tunnel capsule model by employing the space-time conservation element solution element viscous flow solver with unstructured meshes. Both steady-state and time-accurate computations are performed for several configurations with different counterflowing jet Mach numbers. Axisymmetric computations exploring the effect of the jet flow rate and jet Mach number on the flow stability, jet interaction with the bow shock and its subsequent impact on the aerodynamic and aerothermal loads on the capsule body are carried out. Similar to previous experimental findings, both long and short penetration modes exist at a windtunnel Mach number of 3.48. It was found that both modes exhibit non-stationary behavior and the former is much more unstable than the latter. It was also found that the unstable long penetration mode only exists in a relatively small range of the jet mass flow rate. Solution-based mesh refinement procedures are used to improve solution accuracy and provide guidelines for a more effective mesh generation procedure for parametric studies. Details of the computed flowfields also serve as a means to broaden the knowledge base for future retropropulsion design studies.

  16. A detailed aerosol mixing state model for investigating interactions between mixing state, semivolatile partitioning, and coagulation

    Directory of Open Access Journals (Sweden)

    J. Lu

    2010-04-01

    Full Text Available A new method for describing externally mixed particles, the Detailed Aerosol Mixing State (DAMS representation, is presented in this study. This novel method classifies aerosols by both composition and size, using a user-specified mixing criterion to define boundaries between compositional populations. Interactions between aerosol mixing state, semivolatile partitioning, and coagulation are investigated with a Lagrangian box model that incorporates the DAMS approach. Model results predict that mixing state affects the amount and types of semivolatile organics that partition to available aerosol phases, causing external mixtures to produce a more size-varying composition than internal mixtures. Both coagulation and condensation contribute to the mixing of emitted particles, producing a collection of multiple compositionally distinct aerosol populations that exists somewhere between the extremes of a strictly external or internal mixture. The selection of mixing criteria has a significant impact on the size and type of individual populations that compose the modeled aerosol mixture. Computational demands for external mixture modeling are significant and can be controlled by limiting the number of aerosol populations used in the model.

  17. Numerical investigation of interactions between marine atmospheric boundary layer and offshore wind farm

    Science.gov (United States)

    Lyu, Pin; Chen, Wenli; Li, Hui; Shen, Lian

    2017-11-01

    In recent studies, Yang, Meneveau & Shen (Physics of Fluids, 2014; Renewable Energy, 2014) developed a hybrid numerical framework for simulation of offshore wind farm. The framework consists of simulation of nonlinear surface waves using a high-order spectral method, large-eddy simulation of wind turbulence on a wave-surface-fitted curvilinear grid, and an actuator disk model for wind turbines. In the present study, several more precise wind turbine models, including the actuator line model, actuator disk model with rotation, and nacelle model, are introduced into the computation. Besides offshore wind turbines on fixed piles, the new computational framework has the capability to investigate the interaction among wind, waves, and floating wind turbines. In this study, onshore, offshore fixed pile, and offshore floating wind farms are compared in terms of flow field statistics and wind turbine power extraction rate. The authors gratefully acknowledge financial support from China Scholarship Council (No. 201606120186) and the Institute on the Environment of University of Minnesota.

  18. Thermodynamics of the interaction of the food additive tartrazine with serum albumins: a microcalorimetric investigation.

    Science.gov (United States)

    Basu, Anirban; Kumar, Gopinatha Suresh

    2015-05-15

    The thermodynamics of the interaction of the food colourant tartrazine with two homologous serum proteins, HSA and BSA, were investigated, employing microcalorimetric techniques. At T=298.15K the equilibrium constants for the tartrazine-BSA and HSA complexation process were evaluated to be (1.92 ± 0.05) × 10(5)M(-1) and (1.04 ± 0.05) × 10(5)M(-1), respectively. The binding was driven by a large negative standard molar enthalpic contribution. The binding was dominated essentially by non-polyelectrolytic forces which remained largely invariant at all salt concentrations. The polyelectrolytic contribution was weak at all salt concentrations and accounted for only 6-18% of the total standard molar Gibbs energy change in the salt concentration range 10-50mM. The negative standard molar heat capacity values, in conjunction with the enthalpy-entropy compensation phenomenon observed, established the involvement of dominant hydrophobic forces in the complexation process. Tartrazine enhanced the stability of both serum albumins against thermal denaturation. Copyright © 2014 Elsevier Ltd. All rights reserved.

  19. Numerical investigation of particle-blast interaction during explosive dispersal of liquids and granular materials

    Science.gov (United States)

    Pontalier, Q.; Lhoumeau, M.; Milne, A. M.; Longbottom, A. W.; Frost, D. L.

    2018-04-01

    Experiments show that when a high-explosive charge with embedded particles or a charge surrounded by a layer of liquid or granular material is detonated, the flow generated is perturbed by the motion of the particles and the blast wave profile differs from that of an ideal Friedlander form. Initially, the blast wave overpressure is reduced due to the energy dissipation resulting from compaction, fragmentation, and heating of the particle bed, and acceleration of the material. However, as the blast wave propagates, particle-flow interactions collectively serve to reduce the rate of decay of the peak blast wave overpressure. Computations carried out with a multiphase hydrocode reproduce the general trends observed experimentally and highlight the transition between the particle acceleration/deceleration phases, which is not accessible experimentally, since the particles are obscured by the detonation products. The dependence of the particle-blast interaction and the blast mitigation effectiveness on the mitigant to explosive mass ratio, the particle size, and the initial solid volume fraction is investigated systematically. The reduction in peak blast overpressure is, as in experiments, primarily dependent on the mass ratio of material to explosive, with the particle size, density, and initial porosity of the particle bed playing secondary roles. In the near field, the blast overpressure decreases sharply with distance as the particles are accelerated by the flow. When the particles decelerate due to drag, energy is returned to the flow and the peak blast overpressure recovers and reaches values similar to that of a bare explosive charge for low mass ratios. Time-distance trajectory plots of the particle and blast wave motion with the pressure field superimposed, illustrate the weak pressure waves generated by the motion of the particle layer which travel upstream and perturb the blast wave motion. Computation of the particle and gas momentum flux in the multiphase

  20. Numerical investigation of particle-blast interaction during explosive dispersal of liquids and granular materials

    Science.gov (United States)

    Pontalier, Q.; Lhoumeau, M.; Milne, A. M.; Longbottom, A. W.; Frost, D. L.

    2018-05-01

    Experiments show that when a high-explosive charge with embedded particles or a charge surrounded by a layer of liquid or granular material is detonated, the flow generated is perturbed by the motion of the particles and the blast wave profile differs from that of an ideal Friedlander form. Initially, the blast wave overpressure is reduced due to the energy dissipation resulting from compaction, fragmentation, and heating of the particle bed, and acceleration of the material. However, as the blast wave propagates, particle-flow interactions collectively serve to reduce the rate of decay of the peak blast wave overpressure. Computations carried out with a multiphase hydrocode reproduce the general trends observed experimentally and highlight the transition between the particle acceleration/deceleration phases, which is not accessible experimentally, since the particles are obscured by the detonation products. The dependence of the particle-blast interaction and the blast mitigation effectiveness on the mitigant to explosive mass ratio, the particle size, and the initial solid volume fraction is investigated systematically. The reduction in peak blast overpressure is, as in experiments, primarily dependent on the mass ratio of material to explosive, with the particle size, density, and initial porosity of the particle bed playing secondary roles. In the near field, the blast overpressure decreases sharply with distance as the particles are accelerated by the flow. When the particles decelerate due to drag, energy is returned to the flow and the peak blast overpressure recovers and reaches values similar to that of a bare explosive charge for low mass ratios. Time-distance trajectory plots of the particle and blast wave motion with the pressure field superimposed, illustrate the weak pressure waves generated by the motion of the particle layer which travel upstream and perturb the blast wave motion. Computation of the particle and gas momentum flux in the multiphase

  1. EXPERIMENTAL INVESTIGATIONS OF INTERACTION OF TRACK AND ROLLING STOCK ON CROSSOVERS

    Directory of Open Access Journals (Sweden)

    M. A. Arbuzov

    2016-10-01

    Full Text Available Purpose. Recently on the Ukrainian railways network more attention is paid to the cases of violations in the maintenance of crossovers, which may lead to deterioration of the train traffic safety conditions. As a rule, such violations occur as a result of inaccuracies during crossover pegging and laying, as well as are the consequence of impact of rolling stock and thermal forces. The appearance of geometrical irregularities can also be triggered by violation of the scheme of layout of concrete sleepers in the crossover turnout curve with intertrack spaces of less than 5.3 m. Therefore, we have decided to analyze the impact of the presence of deviations from the layout scheme of the sleepers and geometric irregularities on the conditions of track and rolling stock interaction based on the results of experimental investigations. It was also decided to establish a connection between the stress-strain states of the track and the presence of short sleepers. Methodology. The effect of deviations from the layout scheme of the sleepers and geometric irregularities on the interaction conditions of track and rolling stock was studied by means of theoretical calculations and experimental research. The experimental research covered the area on the non-public railway tracks that meets the required conditions for scientific and research work on the territory of «Transinvestservice» company. Findings. The distribution of stresses and forces acting on a railway track depending on speed movement of experienced rolling stock was obtained. In addition we obtained the data on the influence of the sleeper geometric parameters on its stress-strain state. Originality. For the first time the paper assessed the impact of rolling stock in the presence of geometrical irregularities and asymmetrically truncated sleepers within the crossover connection part on the stress-strain state of track in this zone. In addition, we compared the results for the area with common and

  2. Challenges of the Modeling Methods for Investigating the Interaction between the CNT and the Surrounding Polymer

    Directory of Open Access Journals (Sweden)

    Roham Rafiee

    2013-01-01

    Full Text Available The interaction between the carbon nanotubes (CNT and the polymer is a key factor for determining the mechanical, thermal, and electrical properties of the CNT/polymer nanocomposite. However, it is difficult to measure experimentally the interfacial bonding properties between the CNT and the surrounding polymer. Therefore, computational modeling is used to predict the interaction properties. Different scale models, from atomistic to continuum, are critically reviewed addressing the advantages, the disadvantages, and the future challenges. Various methods of improvement for measuring the interaction properties are described. Finally, it is concluded that the semicontinuum modeling may be the best candidate for modeling the interaction between the CNT and the polymer.

  3. From bulk soil to intracrystalline investigation of plant-mineral interaction

    Science.gov (United States)

    Lemarchand, D.; Voinot, A.; Chabaux, F.; Turpault, M.

    2011-12-01

    Understanding the controls and feedbacks regulating the flux of matter between bio-geochemical reservoirs in forest ecosystems receives a fast growing interest for the last decades. A complex question is to understand how minerals and vegetation interact in soils to sustain life and, to a broader scope, how forest ecosystems may respond to human activity (acid rain, harvesting,...) and climate perturbations (temperature, precipitation,...). Many mineralogical and biogeochemical approaches have longtime been developed, and occasionally coupled, in order to investigate the mechanisms by which chemical elements either are exchanged between soil particles and solutions, or are transferred to plants or to deeper soil layers and finally leave the system. But the characterization of particular processes like the contribution of minor reactive minerals to plant nutrition and global fluxes or the mechanisms by which biology can modify reaction rates and balance the bioavailability of nutrients in response to environmental perturbation sometimes fails because of the lack of suitable tracers. Recent analytical and conceptual advances have opened new perspectives for the use of light "non traditional" stable isotopes. Showing a wild range of concentrations and isotopic compositions between biogeochemical reservoirs in forest ecosystem, boron has physico-chemical properties particularly relevant to the investigation of water/rock interactions even when evolving biologically-mediated reactions. In this study, we focused on the distribution of boron isotopes from intracrystalline to bulk soil scales. An overview of the boron distribution and annual fluxes in the soil-plant system clearly indicates that the vegetation cycling largely controls the mobility of boron. We also observe that the mineral and biological B pools have drastically different isotopic signature that makes the transfer of B between them very easy to follow. In particular, the podzol soil we analyzed shows a

  4. Investigating the biogeochemical interactions involved in simultaneous TCE and Arsenic in situ bioremediation

    Science.gov (United States)

    Cook, E.; Troyer, E.; Keren, R.; Liu, T.; Alvarez-Cohen, L.

    2016-12-01

    The in situ bioremediation of contaminated sediment and groundwater is often focused on one toxin, even though many of these sites contain multiple contaminants. This reductionist approach neglects how other toxins may affect the biological and chemical conditions, or vice versa. Therefore, it is of high value to investigate the concurrent bioremediation of multiple contaminants while studying the microbial activities affected by biogeochemical factors. A prevalent example is the bioremediation of arsenic at sites co-contaminated with trichloroethene (TCE). The conditions used to promote a microbial community to dechlorinate TCE often has the adverse effect of inducing the release of previously sequestered arsenic. The overarching goal of our study is to simultaneously evaluate the bioremediation of arsenic and TCE. Although TCE bioremediation is a well-understood process, there is still a lack of thorough understanding of the conditions necessary for effective and stable arsenic bioremediation in the presence of TCE. The objective of this study is to promote bacterial activity that stimulates the precipitation of stable arsenic-bearing minerals while providing anaerobic, non-extreme conditions necessary for TCE dechlorination. To that end, endemic microbial communities were examined under various conditions to attempt successful sequestration of arsenic in addition to complete TCE dechlorination. Tested conditions included variations of substrates, carbon source, arsenate and sulfate concentrations, and the presence or absence of TCE. Initial arsenic-reducing enrichments were unable to achieve TCE dechlorination, probably due to low abundance of dechlorinating bacteria in the culture. However, favorable conditions for arsenic precipitation in the presence of TCE were eventually discovered. This study will contribute to the understanding of the key species in arsenic cycling, how they are affected by various concentrations of TCE, and how they interact with the key

  5. Investigating the potassium interactions with the palytoxin induced channels in Na+/K+ pump.

    Science.gov (United States)

    Rodrigues, Antônio M; Almeida, Antônio-Carlos G; Infantosi, Antonio F C; Teixeira, Hewerson Z; Duarte, Mário A

    2009-02-01

    K(+) has been appointed as the main physiological inhibitor of the palytoxin (PTX) effect on the Na(+)/K(+) pump. This toxin acts opening monovalent cationic channels through the Na(+)/K(+) pump. We investigate, by means of computational modeling, the kinetic mechanisms related with K(+) interacting with the complex PTX-Na(+)/K(+) pump. First, a reaction model, with structure similar to Albers-Post model, describing the functional cycle of the pump, was proposed for describing K(+) interference on the complex PTX-Na(+)/K(+) pump in the presence of intracellular ATP. A mathematic model was derived from the reaction model and it was possible to solve numerically the associated differential equations and to simulate experimental maneuvers about the PTX induced currents in the presence of K(+) in the intra- and extracellular space as well as ATP in the intracellular. After the model adjusting to the experimental data, a Monte Carlo method for sensitivity analysis was used to analyze how each reaction parameter acts during each experimental maneuver involving PTX. For ATP and K(+) concentrations conditions, the simulations suggest that the enzyme substate with ATP bound to its high-affinity sites is the main substate for the PTX binding. The activation rate of the induced current is limited by the K(+) deocclusion from the PTX-Na(+)/K(+) pump complex. The K(+) occlusion in the PTX induced channels in the enzymes with ATP bound to its low-affinity sites is the main mechanism responsible for the reduction of the enzyme affinity to PTX.

  6. Molten corium concrete interaction: investigation of heat transfer in two-phase flow

    International Nuclear Information System (INIS)

    Amizic, Milan

    2014-01-01

    In the context of severe accident research for the second and the third generation of nuclear power plants, there are still open issues concerning some aspects of the concrete cavity ablation during the molten corium - concrete interaction (MCCI). The determination of heat transfer along the interfacial region between the molten corium pool and the ablating basemat concrete is crucial for the assessment of concrete ablation progression and eventually the basemat melt through. For the purpose of experimental investigation of thermal hydraulics inside a liquid pool agitated by gas bubbles, the CLARA project has been launched. The CLARA experiments are performed using simulant materials and they reveal the influence of superficial gas velocity, liquid viscosity and pool geometry on the heat transfer coefficient between the internally heated liquid pool and vertical and horizontal pool walls maintained at uniform temperature. The first test campaign has been conducted with the small pool configuration (50 cm * 25 cm * 25 cm). The tests have been performed with liquids covering a wide range of dynamic viscosity from approximately 1 mPa s to 10000 mPa s and the superficial gas velocity is varied up to 8 cm/s. This thesis comprises a brief description of MCCI phenomenology, literature reviews on the existing heat transfer correlations for two phase flow and the void fraction, a description of CLARA setup, experimental results and their interpretation. The experimental results are compared with existing models and some new models for the assessment of heat transfer coefficient in two-phase flow. (author) [fr

  7. Investigation on oxidative stress of nitric oxide synthase interacting protein from Clonorchis sinensis.

    Science.gov (United States)

    Bian, Meng; Xu, Qingxia; Xu, Yanquan; Li, Shan; Wang, Xiaoyun; Sheng, Jiahe; Wu, Zhongdao; Huang, Yan; Yu, Xinbing

    2016-01-01

    Numerous evidences indicate that excretory-secretory products (ESPs) from liver flukes trigger the generation of free radicals that are associated with the initial pathophysiological responses in host cells. In this study, we first constructed a Clonorchis sinensis (C. sinensis, Cs)-infected BALB/c mouse model and examined relative results respectively at 3, 5, 7, and 9 weeks postinfection (p.i.). Quantitative reverse transcription (RT)-PCR indicated that the transcriptional level of both endothelial nitric oxide synthase (eNOS) and superoxide dismutase (SOD) gradually decreased with lastingness of infection, while the transcriptional level of inducible NOS (iNOS) significantly increased. The level of malondialdehyde (MDA) in sera of infected mouse significantly increased versus the healthy control group. These results showed that the liver of C. sinensis-infected mouse was in a state with elevated levels of oxidation stress. Previously, C. sinensis NOS interacting protein coding gene (named CsNOSIP) has been isolated and recombinant CsNOSIP (rCsNOSIP) has been expressed in Escherichia coli, which has been confirmed to be a component present in CsESPs and confirmed to play important roles in immune regulation of the host. In the present paper, we investigated the effects of rCsNOSIP on the lipopolysaccharide (LPS)-induced activated RAW264.7, a murine macrophage cell line. We found that endotoxin-free rCsNOSIP significantly promoted the levels of nitric oxide (NO) and reactive oxygen species (ROS) after pretreated with rCsNOSIP, while the level of SOD decreased. Furthermore, rCsNOSIP could also increase the level of lipid peroxidation MDA. Taken together, these results suggested that CsNOSIP was a key molecule which was involved in the production of nitric oxide (NO) and its reactive intermediates, and played an important role in oxidative stress during C. sinensis infection.

  8. Spectroscopic investigation on the interaction of some surfactant-cobalt(III) complexes with serum albumins

    Energy Technology Data Exchange (ETDEWEB)

    Vignesh, Gopalaswamy; Nehru, Selvan; Manojkumar, Yesaiyan; Arunachalam, Sankaralingam, E-mail: arunasurf@yahoo.com

    2014-01-15

    The interaction of HSA/BSA with single and double chain surfactant-cobalt(III) complexes, cis-[Co(phen){sub 2}(UA)Cl](ClO{sub 4}){sub 2}·2H{sub 2}O (1), cis-[Co(phen){sub 2}(UA){sub 2}](ClO{sub 4}){sub 3}·2H{sub 2}O (2), cis-[Co(en){sub 2}(UA)Cl](ClO{sub 4}){sub 2}·2H{sub 2}O (3), cis-[Co(en){sub 2}(UA){sub 2}](ClO{sub 4}){sub 3}·2H{sub 2}O (4), were investigated by steady state fluorescence, UV–vis absorption, synchronous, three dimensional fluorescence and circular dichroism spectroscopy. The results reveal that the quenching of HSA/BSA by all the four complexes takes place through static mechanism. The binding constant, binding sites and thermodymamic parameter were calculated. The results illustrate that the double chain surfactant-cobalt(III) complexes bind more strongly than the corresponding single chain complexes. The distance between donor (HSA/BSA) and acceptor (surfactant-cobalt(III) complexes) was obtained according to FRET. The results of synchronous, three dimensional and circular dichroism spectroscopy studies show that all the complexes caused considerable amount of conformational and some amount of environment changes in HSA/BSA. -- Highlights: • Binding of single and double chain surfactant-cobalt(III) complexes with serum albumins. • Hydrophobic attraction plays a major role in the binding process. • Binding induces considerable amount of conformational changes in the protein.

  9. Detailed NMR investigation of cyclodextrin-perfluorinated surfactant interactions in aqueous media

    Energy Technology Data Exchange (ETDEWEB)

    Weiss-Errico, Mary Jo; O’Shea, Kevin E., E-mail: osheak@fiu.edu

    2017-05-05

    Highlights: • Perfluorochemicals (PFCs) are strongly encapsulated by cyclodextrins (CDs). • Competition studies confirm strong CD:PFC host-guest interactions. • {sup 19}F NMR Spectroscopy demonstrates association constants up to 10{sup 5} M{sup −1}. • Position of CD along PFC chain is elucidated from NMR results. • CD:PFC complex is not disturbed under a variety of water quality conditions. - Abstract: Perfluorochemicals (PFCs) are contaminants of serious concern because of their toxicological properties, widespread presence in drinking water sources, and incredible stability in the environment. To assess the potential application of α-, β-, and γ-cyclodextrins for PFC remediation, we investigated their complexation with linear fluorinated carboxylic acids, sulfonates, and a sulfonamide with carbon backbones ranging from C4-C9. {sup 19}F Nuclear Magnetic Resonance (NMR) spectroscopy studies demonstrated β-CD formed the strongest complexes with these PFCs. The polar head group had a modest influence, but for PFCs with backbones longer than six carbons, strong association constants are observed for 1:1 (K{sub 1:1} ∼ 10{sup 5} M{sup −1}) and 2:1 (K{sub 2:1} ∼ 10{sup 3} M{sup −1}) β-CD:PFC complexes. Excess β-CD can be used to complex 99.5% of the longer chain PFCs. Competition studies with adamantane-carboxylic acid and phenol confirmed the nature and persistence of the β-CD:PFC complex. Detailed analyses of the individual NMR chemical shifts and Job plots indicate the favored positions of the β-CD along the PFC chain. Solution pH, ionic strength, and the presence of humic acid have modest influence on the β-CD:PFC complexes. The strong encapsulation of PFCs by β-CD under a variety of water quality conditions demonstrates the tremendous potential of CD-based materials for the environmental remediation of PFCs.

  10. [Investigation on the interaction between pentadecafluorooctanoic acid and human serum albumin by capillary electrophoresis].

    Science.gov (United States)

    Gu, Yi; Guo, Ming; Lü, Da; Hou, Ping; Yin, Xinxin

    2018-01-08

    Capillary electrophoresis (CE) has been used to establish the analytical method of interaction between pentadecafluorooctanoic acid (PFOA) and human serum albumin (HSA). Under the physiological conditions, the interaction model of PFOA and HSA were constructed. Mobility method, plug-plug kinetic (PPK) method and simplified Hummel-Dreyer method were used to determine the interaction between derivatives and HSA. Non-linear regression, Scatchard equation and Klotz equation were adopted to obtain the interaction parameters. The results showed that all the three methods can be used to analyze the interaction of PFOA-HSA system. According to the interaction parameters, the most suitable CE method is simplified Hummel-Dreyer method while the most suitable theoretical equation is non-linear regression. The binding parameters indicated that the interaction of PFOA-HSA system has only one type of binding sites and the binding is stable. The research results have illustrated the interaction between HSA and PFOA, and provided a beneficial reference for in-depth research of the toxic mechanism of PFOA.

  11. INVESTIGATING THE ROLE OF PDZ-DOMAIN INTERACTIONS FOR DOPAMINE TRANSPORTER FUNCTION

    DEFF Research Database (Denmark)

    Fog, Jacob; Vægter, Christian Bjerggaard; Gether, Ulrik

    canonical PDZ domain interactions with proteins such as PICK1. To clarify the actual role of PDZ domain interactions for DAT function we have expressed the wild type DAT and a number of C-terminal mutants either alone or together with PICK1 in HEK293, N2A neuroblastoma and PC12 cells. Data obtained from...

  12. Investigating Learning with an Interactive Tutorial: A Mixed-Methods Strategy

    Science.gov (United States)

    de Villiers, M. R.; Becker, Daphne

    2017-01-01

    From the perspective of parallel mixed-methods research, this paper describes interactivity research that employed usability-testing technology to analyse cognitive learning processes; personal learning styles and times; and errors-and-recovery of learners using an interactive e-learning tutorial called "Relations." "Relations"…

  13. Investigation of the influence of intermolecular interactions on the electronic stopping cross sections

    International Nuclear Information System (INIS)

    Krotz, R.; Neuwirth, W.; Pietsch, W.

    1980-01-01

    The electronic stopping cross sections for Li projectiles have been measured in various kinds of targets. They are analyzed here with respect to the different types of interactions between the constituents of the target: interactions between the atoms in a compound (chemical bonding), the ion-dipole interaction, if the target is an electrolytic solution, and the dipole-dipole interaction among polar molecules. The influence on the stopping cross section depends on the strength of these interactions; it varies from a few percent in the latter case up to 20% and more in a compound. These influences are the largest, if the velocity of the projectile is of the order of the average orbital velocity of the target atoms. (author)

  14. Investigation of the heparin-thrombin interaction by dynamic force spectroscopy.

    Science.gov (United States)

    Wang, Congzhou; Jin, Yingzi; Desai, Umesh R; Yadavalli, Vamsi K

    2015-06-01

    The interaction between heparin and thrombin is a vital step in the blood (anti)coagulation process. Unraveling the molecular basis of the interactions is therefore extremely important in understanding the mechanisms of this complex biological process. In this study, we use a combination of an efficient thiolation chemistry of heparin, a self-assembled monolayer-based single molecule platform, and a dynamic force spectroscopy to provide new insights into the heparin-thrombin interaction from an energy viewpoint at the molecular scale. Well-separated single molecules of heparin covalently attached to mixed self-assembled monolayers are demonstrated, whereby interaction forces with thrombin can be measured via atomic force microscopy-based spectroscopy. Further these interactions are studied at different loading rates and salt concentrations to directly obtain kinetic parameters. An increase in the loading rate shows a higher interaction force between the heparin and thrombin, which can be directly linked to the kinetic dissociation rate constant (koff). The stability of the heparin/thrombin complex decreased with increasing NaCl concentration such that the off-rate was found to be driven primarily by non-ionic forces. These results contribute to understanding the role of specific and nonspecific forces that drive heparin-thrombin interactions under applied force or flow conditions. Copyright © 2015 Elsevier B.V. All rights reserved.

  15. Numerical Investigation of Compressor Non-Synchronous Vibration with Full Annulus Rotor-Stator Interaction

    Science.gov (United States)

    Espinal, Daniel

    The objective of this research is to investigate and confirm the periodicity of the Non-Synchronous Vibration (NSV) mechanism of a GE axial compressor with a full-annulus simulation. A second objective is to develop a high fidelity single-passage tool with time-accurate unsteady capabilities able to capture rotor-stator interactions and NSV excitation response. A high fidelity methodology for axial turbomachinery simulation is developed using the low diffusion shock-capturing Riemann solver with high order schemes, the Spalart-Allmaras turbulence closure model, the fully conservative unsteady sliding BC for rotor-stator interaction with extension to full-annulus and single-passage configurations, and the phase lag boundary conditions applied to rotor-stator interface and circumferential BC. A URANS solver is used and captures the NSV flow excitation frequency of 2439 Hz, which agrees reasonably well with the measured NSV frequency of 2600 Hz from strain gage test data. It is observed that the circumferentially traveling vortex formed in the vicinity of the rotor tip propagates at the speed of a non-engine order frequency and causes the NSV. The vortex travels along the suction surface of the blade and crosses the passage outlet near blade trailing edge. Such a vortex motion trajectory repeats in each blade passage and generates two low pressure regions due to the vortex core positions, one at the leading edge and one at the trailing edge, both are oscillating due to the vortex coming and leaving. These two low pressure regions create a pair of coupling forces that generates a torsion moment causing NSV. The full-annulus simulation shows that the circumferentially traveling vortex has fairly periodical behavior and is a full annulus structure. Also, frequencies below the NSV excitation frequency of 2439 Hz with large amplitudes in response to flow-separation related phenomena are present. This behavior is consistent with experimental measurements. For

  16. Conversation analysis as a method for investigating interaction in care home environments.

    Science.gov (United States)

    Chatwin, John

    2014-11-01

    This article gives an outline of how the socio-linguistic approach of conversation analysis can be applied to the analysis of carer-patient interaction in care homes. A single case study from a routine encounter in a residential care home is presented. This is used to show how the conversation analysis method works, the kinds of interactional and communication features it can expose, and what specific contribution this kind of micro-interactional approach may make to improving quality of care in these environments. © The Author(s) 2013 Reprints and permissions: sagepub.co.uk/journalsPermissions.nav.

  17. Electron spin interactions in chemistry and biology fundamentals, methods, reactions mechanisms, magnetic phenomena, structure investigation

    CERN Document Server

    Likhtenshtein, Gertz

    2016-01-01

    This book presents the versatile and pivotal role of electron spin interactions in nature. It provides the background, methodologies and tools for basic areas related to spin interactions, such as spin chemistry and biology, electron transfer, light energy conversion, photochemistry, radical reactions, magneto-chemistry and magneto-biology. The book also includes an overview of designing advanced magnetic materials, optical and spintronic devices and photo catalysts. This monograph appeals to scientists and graduate students working in the areas related to spin interactions physics, biophysics, chemistry and chemical engineering.

  18. Investigating Cross-Device Interaction between a Handheld Device and a Large Display

    DEFF Research Database (Denmark)

    Paay, Jeni; Raptis, Dimitrios; Kjeldskov, Jesper

    2017-01-01

    and mid-air gestures, pinching, swiping, swinging and flicking. We look specifically at their relative efficiency, effectiveness and accuracy in bi-directional interaction between a smartphone and large display in a point-click context. We report findings from two user studies, which show that swiping...... is both most effective, fastest and most accurate, closely followed by swinging. What these two approaches have in common is the ability to keep the pointer steady on the large display, unaffected by concurrent gestures or body movements used to complete the interaction, suggesting...... that this is an important factor for designing effective cross-device interaction with large displays....

  19. Investigations of fuel cladding chemical interaction in irradiated LMFBR type oxide fuel pins

    International Nuclear Information System (INIS)

    Roake, W.E.; Adamson, M.G.; Hilbert, R.F.; Langer, S.

    1977-01-01

    Understanding and controlling the chemical attack of fuel pin cladding by fuel and fission products are major objectives of the U.S. LMFBR Mixed Oxide Irradiation Testing Program. Fuel-cladding chemical interaction (FCCI) has been recognized as an important factor in the ability to achieve goal peak burnups of 8% (80.MWd/kg) in FFTF and in excess of 10% (100.MWd/kg) in the LMFBR demonstration reactors while maintaining coolant bulk outlet temperatures up to ∼60 deg. C (1100 deg. F). In this paper we review pertinent parts of the irradiation program and describe recent observation of FCCI in the fuel pins of this program. One goal of the FCCI investigations is to obtain a sufficiently quantitative understanding of FCCI such that correlations can be developed relating loss of effective cladding thickness to irradiation and fuel pin fabrication parameters. Wastage correlations being developed using different approaches are discussed. Much of the early data on FCCI obtained in the U.S. Mixed Oxide Fuel Program came from capsule tests irradiated in both fast and thermal flux facilities. The fast flux irradiated encapsulated fuel pins continue to provide valuable data and insight into FCCI. Currently, however, bare pins with prototypic fuels and cladding irradiated in the fast flux Experimental Breeder Reactor-II (EBR-II) as multiple pin assemblies under prototypic powers, temperatures and thermal gradients are providing growing quantities of data on FCCI characteristics and cladding thickness losses from FCCI. A few special encapsulated fuel pin tests are being conducted in the General Electric Test Reactor (GETR) and EBR-II, but these are aimed at providing specific information under irradiation conditions not achievable in the fast flux bare pin assemblies or because EBR-II Operation or Safety requirements dictate that the pins be encapsulated. The discussion in this paper is limited to fast flux irradiation test results from encapsulated pins and multiple pin

  20. Investigations of fuel cladding chemical interaction in irradiated LMFBR type oxide fuel pins

    Energy Technology Data Exchange (ETDEWEB)

    Roake, W E [Westinghouse-Hanford Co., Richland, WA (United States); Adamson, M G [General Electric Company, Vallecitos Nuclear Center, Pleasanton, CA (United States); Hilbert, R F; Langer, S

    1977-04-01

    Understanding and controlling the chemical attack of fuel pin cladding by fuel and fission products are major objectives of the U.S. LMFBR Mixed Oxide Irradiation Testing Program. Fuel-cladding chemical interaction (FCCI) has been recognized as an important factor in the ability to achieve goal peak burnups of 8% (80.MWd/kg) in FFTF and in excess of 10% (100.MWd/kg) in the LMFBR demonstration reactors while maintaining coolant bulk outlet temperatures up to {approx}60 deg. C (1100 deg. F). In this paper we review pertinent parts of the irradiation program and describe recent observation of FCCI in the fuel pins of this program. One goal of the FCCI investigations is to obtain a sufficiently quantitative understanding of FCCI such that correlations can be developed relating loss of effective cladding thickness to irradiation and fuel pin fabrication parameters. Wastage correlations being developed using different approaches are discussed. Much of the early data on FCCI obtained in the U.S. Mixed Oxide Fuel Program came from capsule tests irradiated in both fast and thermal flux facilities. The fast flux irradiated encapsulated fuel pins continue to provide valuable data and insight into FCCI. Currently, however, bare pins with prototypic fuels and cladding irradiated in the fast flux Experimental Breeder Reactor-II (EBR-II) as multiple pin assemblies under prototypic powers, temperatures and thermal gradients are providing growing quantities of data on FCCI characteristics and cladding thickness losses from FCCI. A few special encapsulated fuel pin tests are being conducted in the General Electric Test Reactor (GETR) and EBR-II, but these are aimed at providing specific information under irradiation conditions not achievable in the fast flux bare pin assemblies or because EBR-II Operation or Safety requirements dictate that the pins be encapsulated. The discussion in this paper is limited to fast flux irradiation test results from encapsulated pins and multiple pin

  1. Investigating “Locality” of Intra-Urban Spatial Interactions in New York City Using Foursquare Data

    Directory of Open Access Journals (Sweden)

    Yeran Sun

    2016-03-01

    Full Text Available Thanks to the increasing popularity of location-based social networks, a large amount of user-generated geo-referenced check-in data is now available, and such check-in data is becoming a new data source in the study of mobility and travel. Conventionally, spatial interactions between places were measured based on the trips made between them. This paper empirically investigates the use of social media data (i.e., Foursquare data to study the “locality” of such intra-urban spatial interactions in New York City, and specifically: (i the level of “locality” of spatial interactions; (ii the impacts of personal characteristics on “locality” of spatial interaction and finally; (iii the heterogeneity in spatial distribution of “local” interactions. The results of this study indicate that: (1 spatial interactions show a high degree of locality; (2 gender does not have a considerable impact on the locality of spatial interactions and finally; (3 “local” interactions likely cluster in some places within the research city.

  2. Some experimental results of the investigation of hadron-nucleus and nucleus-nucleus interactions

    International Nuclear Information System (INIS)

    Azimov, S.A.; Gulamov, K.G.; Chernov, G.M.

    1978-01-01

    Recent experimental data on the hadron-nucleus and nucleus-nucleus inelastic interactions are analyzed. A particular attention is paid to the description of the leading hadron spectra and of the spectra of nucleon recoils in hadron-nucleus interactions. Some of the results of the experimental studies of correlations between secondary particles are discussed. This discussion demonstrates that an analysis of the multiparticle phenomena is very promising regarding the discrimination between the different models for the hadron-nucleus and nucleus-nucleus interactions. It is pointed out that the actual mechanism of the hadron-nucleus and nucleus-nucleus interactions is a rather complex one and can be described comprehensively by none of the existing models

  3. Investigation of inelastic interactions of 400 GeV protons with emulsion nuclei

    International Nuclear Information System (INIS)

    Boos, E.G.

    1978-01-01

    Proton-nucleus (pA) interactions registered in nuclear emulsion irradiated at the Batavian accelerator at 400 GeV/c are analyzed. Presented are energy dependences of some main parameters of hadron-nucleus (hA) interactions using experimental data on pA interactions for lesser energies. Quantitative and qualitative data comparison with predictions of a series of popular models of multiple particle production resulted from collisions with nuclei has been carried out. It is shown that most models can not explain all the experimental results. An analysis of the experimental data obtained permits to suggest that the production mechanism in hA interactions has two- or multi-component character

  4. A DFT investigation on interactions between asymmetric derivatives of cisplatin and nucleobase guanine

    Science.gov (United States)

    Tai, Truong Ba; Nhat, Pham Vu

    2017-07-01

    The interactions of hydrolysis products of cisplatin and its asymmetric derivatives cis- and trans-[PtCl2(iPram)(Mepz)] with guanine were studied using DFT methods. These interactions are dominated by electrostatic effects, namely hydrogen bond contributions and there exists a charge flow from H-atoms of ligands to the O-atoms of guanine. The replacement of NH3 moieties by larger functional groups accompanies with a moderate reaction between PtII and guanine molecule, diminishing the cytotoxicity of the drug. The asymmetric and symmetric NH2 stretching modes of complexes having strong hydrogen bond interactions are red shifted importantly as compared to complexes without presence of hydrogen bond interactions.

  5. An Investigation of the Interaction Effects of Acute Self-Esteem and Perceived Competence on Conformity.

    Science.gov (United States)

    1978-12-22

    a demonstration of the interaction effects of acute self - esteem and perceived competence. Acute self - esteem manipulations (high, low or no) were...On the basis of previous research on conformity it was predicted that subjects who were subjected to acute self - esteem manipulations and perceived...role in conformity. The main effect of self - esteem and the interaction of self - esteem and perceived competence did not prove significant. Results were

  6. Investigation of the interaction of ferromagnetic fluids with proteins by dynamic light scattering

    Science.gov (United States)

    Velichko, Elena; Nepomnyashchaya, Elina; Dudina, Alina; Pleshakov, Ivan; Aksenov, Evgenii

    2018-04-01

    In this article the interaction between ionically stabilized magnetic nanoparticles and blood serum albumin proteins in liquid medium are discussed. Some distributions of nanoparticles' agglomerate sizes in solutions of albumin molecules, magnetic nanoparticles and their mixtures both under the influence of magnetic field and free from it are presented. It is shown that magnetic nanoparticles interact with albumin molecules, forming agglomerates. It is also shown that at the influence of magnetic field sizes of agglomerates increase proportionally to the magnetic field density.

  7. Experimental and mathematical modeling methods for the investigation of toxicological interactions

    International Nuclear Information System (INIS)

    El-Masri, Hisham A.

    2007-01-01

    While procedures have been developed and used for many years to assess risk and determine acceptable exposure levels to individual chemicals, most cases of environmental contamination can result in concurrent or sequential exposure to more than one chemical. Toxicological predictions of such combinations must be based on an understanding of the mechanisms of action and interaction of the components of the mixtures. Statistical and experimental methods test the existence of toxicological interactions in a mixture. However, these methods are limited to experimental data ranges for which they are derived, in addition to limitations caused by response differences from experimental animals to humans. Empirical methods such as isobolograms, median-effect principle and response surface methodology (RSM) are based on statistical experimental design and regression of data. For that reason, the predicted response surfaces can be used for extrapolation across dose regions where interaction mechanisms are not anticipated to change. In general, using these methods for predictions can be problematic without including biologically based mechanistic descriptions that can account for dose and species differences. Mechanistically based models, such as physiologically based pharmacokinetic/pharmacodynamic (PBPK/PD) models, include explicit descriptions of interaction mechanisms which are related to target tissues levels. These models include dose-dependent mechanistic hypotheses of toxicological interactions which can be tested by model-directed experimental design and used to identify dose regions where interactions are not significant

  8. Numerical investigation of interaction between rising bubbles in a viscous liquid

    Energy Technology Data Exchange (ETDEWEB)

    Yoon, Ik Roh [Korea Institute of Marine Science and Technology Promotion, Seoul (Korea, Republic of); Shin Seung Won [Hongik University, Seoul (Korea, Republic of)

    2016-07-15

    The rising behavior of bubbles undergoing bubble-bubble interaction in a viscous liquid is studied using a two-dimensional direct numerical simulation. Level contour reconstruction method (LCRM), one of the connectivity-free front tracking methods, is applied to describe a moving interface accurately under highly deformable conditions. This work focuses on the effects of bubble size on the interaction of two bubbles rising side-by-side in a stagnant liquid. Several characteristics of bubble-bubble interaction are analyzed quantitatively as supported by energy analysis. The results showed clear differences between small and large bubbles with respect to their interaction behavior in terms of lateral movement, vortex intensity, suppression of surface deformation, and viscous dissipation rate. Distributions of vorticity and viscous dissipation rate near the bubble interfaces also differed depending on the size of the bubbles. Strong vortices from large bubbles triggered oscillation in bubble-bubble interaction and played a dominant role in the interaction process as the size of bubbles increases.

  9. Combined experimental and theoretical investigation of interactions between kaolinite inner surface and intercalated dimethyl sulfoxide

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Shuai [School of Geoscience and Surveying Engineering, China University of Mining & Technology, Beijing 100083 (China); Liu, Qinfu, E-mail: lqf@cumtb.edu.cn [School of Geoscience and Surveying Engineering, China University of Mining & Technology, Beijing 100083 (China); Cheng, Hongfei [School of Geoscience and Surveying Engineering, China University of Mining & Technology, Beijing 100083 (China); Zeng, Fangui [Department of Earth Science and Engineering, Taiyuan University of Technology, Taiyuan 030024 (China)

    2015-03-15

    Graphical abstract: Snapshot of the kaolinite–DMSO system after equilibrium is reached. - Highlights: • Dimethyl sulfoxide arranges a monolayer structure between kaolinite layers. • Weak hydrogen bonds exist between methyl groups of dimethyl sulfoxide and kaolinite silica layer. • Intercalated dimethyl sulfoxide forms strong hydrogen bonds with kaolinite alumina layer. - Abstract: Kaolinite intercalation complex with dimethyl sulfoxide (DMSO) was investigated by X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and thermogravimetry–differential scanning calorimetry (TG–DSC) combined with molecular dynamics simulation. The bands assigned to the OH stretching of inner surface of kaolinite were significantly perturbed after intercalation of DMSO into kaolinite. Additionally, the bands attributed to the vibration of gibbsite-like layers of kaolinite shifted to the lower wave number, indicating that the intercalated DMSO were strongly hydrogen bonded to the alumina octahedral surface of kaolinite. The slightly decreased intensity of 1031 cm{sup −1} and 1016 cm{sup −1} band due to the in-plane vibration of Si−O of kaolinite revealed that some DMSO molecules formed weak hydrogen bonds with the silicon tetrahedral surface of kaolinite. Based on the TG result of kaolinite–DMSO intercalation complex, the formula of A1{sub 2}Si{sub 2}O{sub 5}(OH){sub 4}(DMSO){sub 0.7} was obtained, with which the kaolinite–DMSO complex model was constructed. The molecular dynamics simulation of kaolinite–DMSO complex directly confirmed the monolayer structure of DMSO in interlayer space of kaolinite, where the DMSO arranged almost parallel with kaolinite basal surface with all methyl groups being distributed near the interlayer midplane and oxygen atoms orienting toward to the alumina octahedral surface. The radial distribution function between kaolinite and intercalated DMSO verified the strong hydrogen bonds forming between hydroxyl hydrogen

  10. Synthesis, Characterization and Functionalization of Polymeric Nanoparticles and Investigation of the Interaction with Biological Systems

    International Nuclear Information System (INIS)

    Bleul, Regina

    2015-01-01

    One of the main goals of nanomedicine is to improve the treatment of hazardous diseases whose conventional therapy often has serious side effects. The vision is to create a theranostic drug delivery system which is capable of safely transporting therapeutic cargo through the body to a targeted site of disease at which point the drug is released. Furthermore, it is desirable to track the carrier in real time which would allow for a personal adjustment of the therapy. Studies on the behavior of nanoparticulate substances in a physiological environment form the basis for the possibility to successfully develop a drug carrier system. In the present work, polymeric nanoparticles with different morphologies were prepared by the controlled self-assembly of amphiphilic block copolymers. The nanoparticles were subsequently characterized and their interactions with human cells and serum proteins investigated. A cytotoxicity study with spherical and cylindrical micelles as well as vesicular structures was carried out and showed a dependency of cytotoxic effects on the geometry and size of the nanoparticles. The agglomeration behavior of various polymeric nanoparticles in the presence of serum proteins was also studied. Highly uniform polymeric vesicles were continuously manufactured in a micromixer based device and in situ loading with different components was performed. In this way, dual loaded vesicles with the anticancer drug camptothecin and a high amount of hydrophobic iron oxide nanoparticles were produced. When tested in vitro, these drug-loaded vesicles showed an increased cytotoxic activity against the cancer cell line PC-3 when compared to the free drug. Specific cellular uptake in PC-3 cancer cells was demonstrated with flow cytometry and confocal laser scanning microscopy after functionalization with a cancer cell specific targeting peptide and an additional fluorescent label. Magnetic characterization of the iron oxide-loaded vesicles also confirmed the potential

  11. Distributed Temperature Sensing - a Useful Tool for Investigation of Surface Water - Groundwater Interaction

    Science.gov (United States)

    Vogt, T.; Hahn-Woernle, L.; Sunarjo, B.; Thum, T.; Schneider, P.; Schirmer, M.; Cirpka, O. A.

    2009-04-01

    In recent years, the transition zone between surface water bodies and groundwater, known as the hyporheic zone, has been identified as crucial for the ecological status of the open-water body and the quality of groundwater. The hyporheic exchange processes vary both in time and space. For the assessment of water quality of both water bodies reliable models and measurements of the exchange rates and their variability are needed. A wide range of methods and technologies exist to estimate water fluxes between surface water and groundwater. Due to recent developments in sensor techniques and data logging work on heat as a tracer in hydrological systems advances, especially with focus on surface water - groundwater interactions. Here, we evaluate the use of Distributed Temperature Sensing (DTS) for the qualitative and quantitative investigation of groundwater discharge into and groundwater recharge from a river. DTS is based on the temperature dependence of Raman scattering. Light from a laser pulse is scattered along an optical fiber of up to several km length, which is the sensor of the DTS system. By sampling the the back-scattered light with high temporal resolution, the temperature along the fiber can be measured with high accuracy (0.1 K) and high spatial resolution (1 m). We used DTS at a test side at River Thur in North-East Switzerland. Here, the river is loosing and the aquifer is drained by two side-channels, enabling us to test DTS for both, groundwater recharge from the river and groundwater discharge into the side-channels. For estimation of seepage rates, we measured highly resolved vertical temperature profiles in the river bed. For this application, we wrapped an optical fiber around a piezometer tube and measured the temperature distribution along the fiber. Due to the wrapping, we obtained a vertical resolution of approximately 5 mm. We analyzed the temperature time series by means of Dynamic Harmonic Regression as presented by Keery et al. (2007

  12. Investigating multiple dysregulated pathways in rheumatoid arthritis based on pathway interaction network.

    Science.gov (United States)

    Song, Xian-Dong; Song, Xian-Xu; Liu, Gui-Bo; Ren, Chun-Hui; Sun, Yuan-Bo; Liu, Ke-Xin; Liu, Bo; Liang, Shuang; Zhu, Zhu

    2018-03-01

    The traditional methods of identifying biomarkers in rheumatoid arthritis (RA) have focussed on the differentially expressed pathways or individual pathways, which however, neglect the interactions between pathways. To better understand the pathogenesis of RA, we aimed to identify dysregulated pathway sets using a pathway interaction network (PIN), which considered interactions among pathways. Firstly, RA-related gene expression profile data, protein-protein interactions (PPI) data and pathway data were taken up from the corresponding databases. Secondly, principal component analysis method was used to calculate the pathway activity of each of the pathway, and then a seed pathway was identified using data gleaned from the pathway activity. A PIN was then constructed based on the gene expression profile, pathway data, and PPI information. Finally, the dysregulated pathways were extracted from the PIN based on the seed pathway using the method of support vector machines and an area under the curve (AUC) index. The PIN comprised of a total of 854 pathways and 1064 pathway interactions. The greatest change in the activity score between RA and control samples was observed in the pathway of epigenetic regulation of gene expression, which was extracted and regarded as the seed pathway. Starting with this seed pathway, one maximum pathway set containing 10 dysregulated pathways was extracted from the PIN, having an AUC of 0.8249, and the result indicated that this pathway set could distinguish RA from the controls. These 10 dysregulated pathways might be potential biomarkers for RA diagnosis and treatment in the future.

  13. Investigation on molecular interactions of antibiotics in alcohols using volumetric and acoustic studies at different temperatures

    International Nuclear Information System (INIS)

    Naseem, Bushra; Iftikhar, Madeeha

    2017-01-01

    Highlights: • Antibiotics in different alcohols are used to study their interactions in solutions. • Density and sound velocity for antibiotic solutions are measured at different temperatures. • Apparent molar volume and isentropic compressibility are used to calculate partial molar quantities. • Acoustical parameters are calculated and discussed in terms of solute–solute and solute–solvent interactions. - Abstract: The density and sound velocity for pure alcohols (methanol, ethanol, iso-propanol and n-butanol) and molal solutions of nitroimidazoles (metronidazole (MNZ) and dimetridazole (DMZ) have been measured at different temperatures (293.15–313.15 K). Different volumetric and acoustical parameters like apparent molar volume (V ϕ ), partial molar volume (VЛљ ϕ ), apparent molar isentropic compressibility (K ϕ ), partial molar isentropic compressibility (KЛљ ϕ ), hydration number (n H ), acoustic impedance (Z) and intermolecular free length (L f ) of antibiotic solutions were calculated from the experimental values of density and sound velocity. The derived values have been used to explore the solute–solute and solute–solvent interactions. The V ϕ values are positive and K ϕ values are negative in both antibiotics, indicative of strong solute–solvent interactions and closely packed structure of antibiotics in alcohols. The decreasing trend of L f with increasing antibiotic concentration shows the presence of strong intermolecular interactions in solutions.

  14. Additivity vs Synergism: Investigation of the Additive Interaction of Cinnamon Bark Oil and Meropenem in Combinatory Therapy.

    Science.gov (United States)

    Yang, Shun-Kai; Yusoff, Khatijah; Mai, Chun-Wai; Lim, Wei-Meng; Yap, Wai-Sum; Lim, Swee-Hua Erin; Lai, Kok-Song

    2017-11-04

    Combinatory therapies have been commonly applied in the clinical setting to tackle multi-drug resistant bacterial infections and these have frequently proven to be effective. Specifically, combinatory therapies resulting in synergistic interactions between antibiotics and adjuvant have been the main focus due to their effectiveness, sidelining the effects of additivity, which also lowers the minimal effective dosage of either antimicrobial agent. Thus, this study was undertaken to look at the effects of additivity between essential oils and antibiotic, via the use of cinnamon bark essential oil (CBO) and meropenem as a model for additivity. Comparisons between synergistic and additive interaction of CBO were performed in terms of the ability of CBO to disrupt bacterial membrane, via zeta potential measurement, outer membrane permeability assay and scanning electron microscopy. It has been found that the additivity interaction between CBO and meropenem showed similar membrane disruption ability when compared to those synergistic combinations which was previously reported. Hence, results based on our studies strongly suggest that additive interaction acts on a par with synergistic interaction. Therefore, further investigation in additive interaction between antibiotics and adjuvant should be performed for a more in depth understanding of the mechanism and the impacts of such interaction.

  15. Additivity vs Synergism: Investigation of the Additive Interaction of Cinnamon Bark Oil and Meropenem in Combinatory Therapy

    Directory of Open Access Journals (Sweden)

    Shun-Kai Yang

    2017-11-01

    Full Text Available Combinatory therapies have been commonly applied in the clinical setting to tackle multi-drug resistant bacterial infections and these have frequently proven to be effective. Specifically, combinatory therapies resulting in synergistic interactions between antibiotics and adjuvant have been the main focus due to their effectiveness, sidelining the effects of additivity, which also lowers the minimal effective dosage of either antimicrobial agent. Thus, this study was undertaken to look at the effects of additivity between essential oils and antibiotic, via the use of cinnamon bark essential oil (CBO and meropenem as a model for additivity. Comparisons between synergistic and additive interaction of CBO were performed in terms of the ability of CBO to disrupt bacterial membrane, via zeta potential measurement, outer membrane permeability assay and scanning electron microscopy. It has been found that the additivity interaction between CBO and meropenem showed similar membrane disruption ability when compared to those synergistic combinations which was previously reported. Hence, results based on our studies strongly suggest that additive interaction acts on a par with synergistic interaction. Therefore, further investigation in additive interaction between antibiotics and adjuvant should be performed for a more in depth understanding of the mechanism and the impacts of such interaction.

  16. Structural study and investigation of NMR tensors in interaction of dopamine with Adenine and guanine

    Directory of Open Access Journals (Sweden)

    Lingjia Xu

    2007-04-01

    Full Text Available The interaction of dopamine with adenine and guanine were studied at the Hartree-Fock level theory. The structural and vibrational properties of dopamine-4-N7GUA and dopamine-4-N3ADE were studied at level of HF/6-31G*. Interaction energies (ΔE were calculated to be -11.49 and -11.92 kcal/mol, respectively. Some of bond lengths, angels and tortions are compared. NBO studies were performed to the second-order and perturbative estimates of donor-acceptor interaction have been done. The procedures of gauge-invariant atomic orbital (GIAO and continuous-set-of-gauge-transformation (CSGT were employed to calculate isotropic shielding, chemical shifts anisotropy and chemical shifts anisotropy asymmetry and effective anisotropy using 6-31G* basis set. These calculations yielded molecular geometries in good agreement with available experimental data.

  17. Fundamental investigation on interaction forces in bubble swarms and its application to the design of centrifugal separators

    International Nuclear Information System (INIS)

    Wisman, R.

    1979-01-01

    The present investigation deals with two aspects of gas-liquid flows, viz. interaction forces between the phases in bubble swarms and numerical description of rotating gas-liquid flows. The insight obtained was applied to the development of axial gas-liquid cyclones, as used i.a. as primary separators in nuclear boiling water reactors. (Auth.)

  18. Investigating the Interaction of Graphic Organizers and Seductive Details: Can a Graphic Organizer Mitigate the Seductive-Details Effect?

    Science.gov (United States)

    Rowland-Bryant, Emily; Skinner, Christopher H.; Skinner, Amy L.; Saudargas, Richard; Robinson, Daniel H.; Kirk, Emily R.

    2009-01-01

    The interaction between seductive details (SD) and a graphic organizer (GO) was investigated. Undergraduate students (n = 207) read a target-material passage about Freud's psychosexual stages. Depending on condition, the participants also read a biographical paragraph (SD-only), viewed a graphic organizer that linked the seductive details to the…

  19. DFT investigation of the interaction of gold nanoclusters with poly(amidoamine) PAMAM G0 dendrimer

    Science.gov (United States)

    Camarada, M. B.

    2016-06-01

    The interaction between PAMAM G0 and gold nanoclusters Aun (n = 2, 4, 6, and 8) was studied theoretically at DFT level. Different coordination sites were explored, including internal and superficial coordination. All stable complexes exhibited external interaction with the amine or carbonyl site, while the core site coordination was not favored. The more stable binding of Aun was registered with the terminal amine group, while the binding at the amide site was relatively weaker. The vertical first ionization potential, electron affinity, Fermi level, and the HOMO-LUMO gap of PAMAM and Aun-PAMAM G0 complexes were also analyzed.

  20. Investigating Cross-Device Interaction between a Handheld Device and a Large Display

    DEFF Research Database (Denmark)

    Paay, Jeni; Raptis, Dimitrios; Kjeldskov, Jesper

    2017-01-01

    and mid-air gestures, pinching, swiping, swinging and flicking. We look specifically at their relative efficiency, effectiveness and accuracy in bi-directional interaction between a smartphone and large display in a point-click context. We report findings from two user studies, which show that swiping...... is both most effective, fastest and most accurate, closely followed by swinging. What these two approaches have in common is the ability to keep the pointer steady on the large display, unaffected by concurrent gestures or body movements used to complete the interaction, suggesting...

  1. Site investigation SFR. Water-rock interaction and mixing modelling in the SFR

    Energy Technology Data Exchange (ETDEWEB)

    Gimeno, Maria J.; Auque, Luis F.; Gomez, Javier B.; Acero, Patricia (University of Zaragoza (Spain))

    2011-10-15

    During 2008, the Swedish Nuclear Fuel and Waste Management Company (SKB) initiated an investigation programme for a future expansion of the final repository for low and medium level radioactive operational waste, SFR, located about 150 km north of Stockholm. The purpose of the investigations was to define and characterise a bedrock volume large enough to allow further storage of operational waste from existing Swedish nuclear power plants and future waste from the decommissioning and dismantling of nuclear power plant reactors (SKB 2008). Of several alternatives, a selected location was investigated southwest of the present SFR tunnel system. As part of the SFR Site Descriptive Model, the objective of the hydrogeochemical site description is to describe the chemistry, origin and distribution of groundwaters in the bedrock and the hydrogeochemical processes involved in their evolution. Hydrogeochemical information (salinity distribution, groundwater residence time, palaeohydrogeochemical input, etc.) are also of importance to help constrain the hydrogeological descriptive model. The hydrogeochemical modelling work has been performed in three steps, resulting in three model versions (0.1, 0.2 and 1.0). In versions 0.1 and 0.2, explorative analyses using traditional geochemical approaches (trend plots, x-y scatter plots, 3D visualisations, etc.) were performed to describe the data and to provide an early insight and understanding of the site. The final hydrogeochemical site description version 1.0 (Nilsson et al. 2011) includes data from the previous versions, as well as subsequent complementary data from the SFR extension project, and all these data are further evaluated using additional modelling approaches and techniques. In this context, the present report gives a more detailed analysis of the available data for some hydrogeochemical systems and a detailed description of the results of the geochemical and statistical modelling. One of the main aims is to establish

  2. Site investigation SFR. Water-rock interaction and mixing modelling in the SFR

    International Nuclear Information System (INIS)

    Gimeno, Maria J.; Auque, Luis F.; Gomez, Javier B.; Acero, Patricia

    2011-10-01

    During 2008, the Swedish Nuclear Fuel and Waste Management Company (SKB) initiated an investigation programme for a future expansion of the final repository for low and medium level radioactive operational waste, SFR, located about 150 km north of Stockholm. The purpose of the investigations was to define and characterise a bedrock volume large enough to allow further storage of operational waste from existing Swedish nuclear power plants and future waste from the decommissioning and dismantling of nuclear power plant reactors (SKB 2008). Of several alternatives, a selected location was investigated southwest of the present SFR tunnel system. As part of the SFR Site Descriptive Model, the objective of the hydrogeochemical site description is to describe the chemistry, origin and distribution of groundwaters in the bedrock and the hydrogeochemical processes involved in their evolution. Hydrogeochemical information (salinity distribution, groundwater residence time, palaeohydrogeochemical input, etc.) are also of importance to help constrain the hydrogeological descriptive model. The hydrogeochemical modelling work has been performed in three steps, resulting in three model versions (0.1, 0.2 and 1.0). In versions 0.1 and 0.2, explorative analyses using traditional geochemical approaches (trend plots, x-y scatter plots, 3D visualisations, etc.) were performed to describe the data and to provide an early insight and understanding of the site. The final hydrogeochemical site description version 1.0 (Nilsson et al. 2011) includes data from the previous versions, as well as subsequent complementary data from the SFR extension project, and all these data are further evaluated using additional modelling approaches and techniques. In this context, the present report gives a more detailed analysis of the available data for some hydrogeochemical systems and a detailed description of the results of the geochemical and statistical modelling. One of the main aims is to establish

  3. Investigating Syntactical and Lexical Complexity in Gendered and Same-Sex Interactions

    Science.gov (United States)

    Long, Robert W., III.

    2018-01-01

    For many sociolinguists, the issue of shyness and hesitation phenomenon has been problematic for Japanese L1 and L2 speakers, particularly in gendered interactions. Over the past decade, more Japanese are shunning conversations, relationships, and isolating themselves, which is accelerating the demographic crisis in Japan. Thus, this paper focuses…

  4. Investigating the Added Value of Interactivity and Serious Gaming for Educational TV

    Science.gov (United States)

    Bellotti, F.; Berta, R.; De Gloria, A.; Ozolina, A.

    2011-01-01

    TV is a medium with high penetration rates and has been suited to deliver informal education in several aspects since years. Thus, interactive TV may play a significant role in the current Life-Long Learning challenges, provided that meaningful applications are implemented. In this research work, we have explored the added value of interactivity…

  5. An Investigation of Pre-Service English Language Teacher Attitudes towards Varieties of English in Interaction

    Science.gov (United States)

    Litzenberg, Jason

    2013-01-01

    English has become the default language of global communication, and users around the world are adapting the traditional standards of grammar and interaction. It is imperative that teachers of English keep pace with these changing conceptualizations of the language as well as the changing expectations of its users so that they can best prepare…

  6. Investigating the relationship among transformational leadership, interpersonal interaction and mentoring functions.

    Science.gov (United States)

    Huang, Ching-Yuan; Weng, Rhay-Hung; Chen, Yi-Ting

    2016-08-01

    This study aims to ascertain the relationship between transformational leadership, interpersonal interaction and mentoring functions among new staff nurses. Mentoring functions could improve the job performance of new nurses, provide them with support and thus reduce their turnover rate. A cross-sectional study was employed. A questionnaire survey was carried out to collect data among a sample of new nurses from three hospitals in Taiwan. After gathering a total of 306 valid surveys, multiple regression analysis was applied to test the hypothesis. Inspirational motivation, idealised influence and individualised consideration had positive correlations with the overall mentoring function, but intellectual stimulation showed a positive association only with career development function. Perceived similarity and interaction frequency also had positive correlations with mentoring functions. When the shift overlap rate exceeded 80%, mentoring function showed a negative result. The transformational leadership of mentors would improve the mentoring functions among new staff nurses. Perceived similarity and interaction frequency between mentees and mentors also had positive correlations with mentoring functions. It is crucial for hospitals to redesign their leadership training and motivation programmes to enhance the transformational leadership of mentors. Furthermore, nursing managers should promote interaction between new staff nurses and their mentors; however, the shift overlap rate should not be too high. © 2016 John Wiley & Sons Ltd.

  7. Reading Intervention Using Interactive Metronome in Children with Language and Reading Impairment: A Preliminary Investigation

    Science.gov (United States)

    Ritter, Michaela; Colson, Karen A.; Park, Jungjun

    2013-01-01

    This exploratory study examined the effects of Interactive Metronome (IM) when integrated with a traditional language and reading intervention on reading achievement. Forty-nine school-age children with language and reading impairments were assigned randomly to either an experimental group who received the IM treatment or to a control group who…

  8. A Spectroscopic and Electrochemical Investigation of Interactions of Anticancer Uracil Derivatives with Cationic and Anionic Surfactants

    International Nuclear Information System (INIS)

    Zafar, F.; Shah, A.; Ahmad, Z.; Siddiq, M.; Ali, S.; Asad Muhammad Khan, A. M.; Rana, U. A.

    2015-01-01

    Interactions of 5-fluorouracil (5-FU), a commercially available anti-cancer drug and two other possibly anti-cancer actives, 2-thiouracil (2-TU) and 2,4-dithiouracil (DTU), with anionic sodium dodecyl sulphate (SDS) and cationic cetlytrimethyl ammonium bromide (CTAB) surfactants were studied using cyclic voltammetry and UV-Visible spectroscopic techniques. The results from both techniques asserted the formation of complex between the drugs and surfactants. In the pre-micellar concentrations, the binding was mainly due to the interactions between the surfactants monomers (electrostatic) and the drug molecules, while in the post-micellar region, drug was encapsulated within the micelle due to electrostatic as well as hydrophobic interactions. The UV-Visible spectroscopic data of the interaction between 5-fluorouracil and the surfactants exhibited an isobestic point which indicated the presence of equilibrium species in bulk and the micellar phase. Binding constant, partition coefficient between bulk and miceller phase, and the number of drug molecules incorporated per micelle were calculated. (author)

  9. The investigation of the interaction between edaravone and bovine serum albumin by spectroscopic approaches

    International Nuclear Information System (INIS)

    Yu Xianyong; Yang Ying; Liu Ronghua; Huang Haowen; Chen Jian; Ji Danhong; Li Xiaofang; Yang Fengxian; Yi Pinggui

    2011-01-01

    The fluorescence and ultraviolet spectroscopies were explored to study the interaction between edaravone (EDA) and bovine serum albumin (BSA) under imitated physiological condition. The experimental results show that the fluorescence quenching mechanism between EDA and BSA is a combined quenching (dynamic and static quenching). The binding constants, binding sites, and the corresponding thermodynamic parameters (ΔG, ΔH, and ΔS) of the interaction system were calculated at different temperatures. According to Foerster non-radiation energy transfer theory, the binding distance between EDA and BSA was calculated to be 3.10 nm. The effect of EDA on the conformation of BSA was analyzed using synchronous fluorescence spectroscopy. In addition, the effects of some common metal ions Mg 2+ , Ca 2+ , Cu 2+ , and Ni 2+ on the binding constant between EDA and BSA were examined. - Highlights: → We explored the interaction of BSA and EDA using spectroscopic methods. → The fluorescence quenching mechanism is combined quenching. → Hydrophobic interaction force plays a major role in stabilizing the complex. → The binding constants, binding sites, and thermodynamic parameters were calculated. → EDA affects the conformation of tryptophan residue's microregion.

  10. The investigation of the interaction between edaravone and bovine serum albumin by spectroscopic approaches

    Energy Technology Data Exchange (ETDEWEB)

    Xianyong, Yu; Ying, Yang; Ronghua, Liu; Haowen, Huang; Jian, Chen; Danhong, Ji [Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education, Hunan Province College Key Laboratory of QSAR/QSPR, School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Xiangtan 411201 (China); Li Xiaofang, E-mail: fine_chem@163.co [Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education, Hunan Province College Key Laboratory of QSAR/QSPR, School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Xiangtan 411201 (China); Fengxian, Yang [Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education, Hunan Province College Key Laboratory of QSAR/QSPR, School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Xiangtan 411201 (China); Yi Pinggui, E-mail: pgyi@hnust.c [Key Laboratory of Theoretical Chemistry and Molecular Simulation of Ministry of Education, Hunan Province College Key Laboratory of QSAR/QSPR, School of Chemistry and Chemical Engineering, Hunan University of Science and Technology, Xiangtan 411201 (China)

    2011-07-15

    The fluorescence and ultraviolet spectroscopies were explored to study the interaction between edaravone (EDA) and bovine serum albumin (BSA) under imitated physiological condition. The experimental results show that the fluorescence quenching mechanism between EDA and BSA is a combined quenching (dynamic and static quenching). The binding constants, binding sites, and the corresponding thermodynamic parameters ({Delta}G, {Delta}H, and {Delta}S) of the interaction system were calculated at different temperatures. According to Foerster non-radiation energy transfer theory, the binding distance between EDA and BSA was calculated to be 3.10 nm. The effect of EDA on the conformation of BSA was analyzed using synchronous fluorescence spectroscopy. In addition, the effects of some common metal ions Mg{sup 2+}, Ca{sup 2+}, Cu{sup 2+}, and Ni{sup 2+} on the binding constant between EDA and BSA were examined. - Highlights: {yields} We explored the interaction of BSA and EDA using spectroscopic methods. {yields} The fluorescence quenching mechanism is combined quenching. {yields} Hydrophobic interaction force plays a major role in stabilizing the complex. {yields} The binding constants, binding sites, and thermodynamic parameters were calculated. {yields} EDA affects the conformation of tryptophan residue's microregion.

  11. Explaining Student Interaction and Satisfaction: An Empirical Investigation of Delivery Mode Influence

    Science.gov (United States)

    Johnson, Zachary S.; Cascio, Robert; Massiah, Carolyn A.

    2014-01-01

    How interpersonal interactions within a course affect student satisfaction differently between face-to-face and online modes is an important research question to answer with confidence. Using students from a marketing course delivered face-to-face and online concurrently, our first study demonstrates that student-to-professor and…

  12. Investigation of the mechanism of interaction of Lithium 6 ions on Beryllium 9

    International Nuclear Information System (INIS)

    Coste, Mireille

    1962-01-01

    The objective of this research on the interaction of Lithium 6 and Beryllium 9 ions is to obtain new indications on the mode of interaction of these heavy ions, and on the configuration of target nuclei and projectile nuclei. In a first part, the author presents and describes the experimental conditions which comprise a Van de Graaff accelerator, a source, a stripper, and a target. He reports the study of α particles emitted by the reaction between the Lithium and Beryllium ions: description of the experimental installation (irradiation chamber and method), presentation and interpretation of experimental results. In the next part, he reports the study of Lithium 7 and Beryllium 10 nuclides emitted by disintegration of Beryllium 11: description of experimental conditions, variations of cross sections, variation of the cross section rate, and interpretation. The author then addresses the study of the intervention of the mode of interaction by 15 N compound nucleus in the reactions between lithium and beryllium ions: study of intensities of the different spectrum lines, measurement of the Doppler effect produced of the 479 keV line, interpretation of results. In conclusion, the author analyses the mechanism of interaction between lithium and beryllium ions, and discusses different theories: the Newns and Glendenning theories, and the Leigh theory

  13. Microfluidic biofunctionalisation protocols to form multi-valent interactions for cell rolling and phenotype modification investigations

    KAUST Repository

    Perozziello, Gerardo; Simone, Giuseppina; Malara, Natalia Maria; La Rocca, Rosanna; Tallerico, Rossana; Catalano, Rossella; Pardeo, Francesca; Candeloro, Patrizio; Cuda, Giovanni; Carbone, Ennio; Di Fabrizio, Enzo M.

    2013-01-01

    for cellomic studies. Based on this principle, we exploit the streptavidin-biotin interaction to couple antibodies to the biofunctionalised microfluidic environment within 5 h using 200 μL of reagents and biomolecules. We selected the antibodies able to form

  14. Numerical investigation into strong axis bending shear interaction in rolled I-shaped steel sections

    NARCIS (Netherlands)

    Dekker, R.W.A.; Snijder, B.H.; Maljaars, J.

    2016-01-01

    Clause 6.2.8 of EN 1993-1-1 covers the design rules on bending-shear resistance, taking presence of shear into account by a reduced yield stress for the shear area. Numerical research on bending-shear interaction by means of the Abaqus Finite Element modelling soft-ware is presented. The numerical

  15. Numerical investigation into strong axis bending-shear interaction in rolled I-shaped steel sections

    NARCIS (Netherlands)

    Dekker, R.W.A.; Snijder, H.H.; Maljaars, J.; Dubina, Dan; Ungureanu, Viorel

    2016-01-01

    Clause 6.2.8 of EN 1993-1-1 covers the design rules on bending-shear resistance, taking presence of shear into account by a reduced yield stress for the shear area. Numerical research on bending-shear interaction by means of the Abaqus Finite Element modelling software is presented. The numerical

  16. Ellipsometry and LIMM investigations of the interaction between PZT thin films and platinum electrodes and air

    Czech Academy of Sciences Publication Activity Database

    Deineka, Alexander; Glinchuk, M. D.; Jastrabík, Lubomír; Suchaneck, G.; Sandner, T.; Gerlach, G.

    2001-01-01

    Roč. 254, - (2001), s. 205-211 ISSN 0015-0193 R&D Projects: GA ČR GA202/00/1425 Institutional research plan: CEZ:AV0Z1010914 Keywords : ferroelecric film * depth profile * interface interaction Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.471, year: 2001

  17. Affinity Capillary Electrophoresis – A Powerful Tool to Investigate Biomolecular Interactions

    Czech Academy of Sciences Publication Activity Database

    Kašička, Václav

    2017-01-01

    Roč. 30, č. 5 (2017), s. 248 ISSN 1471-6577 Institutional support: RVO:61388963 Keywords : capillary affinity electrophoresis * biomolecular interactions * binding constants Subject RIV: CB - Analytical Chemistry, Separation OBOR OECD: Analytical chemistry Impact factor: 0.663, year: 2016

  18. Investigation of wake interaction using full-scale lidar measurements and large eddy simulation

    DEFF Research Database (Denmark)

    Machefaux, Ewan; Larsen, Gunner Chr.; Troldborg, Niels

    2016-01-01

    dynamics flow solver, using large eddy simulation and fully turbulent inflow. The rotors are modelled using the actuator disc technique. A mutual validation of the computational fluid dynamics model with the measurements is conducted for a selected dataset, where wake interaction occurs. This validation...

  19. Investigation of interaction studies of cefpirome with ACE-inhibitors in various buffers

    Science.gov (United States)

    Nawaz, Muhammad; Arayne, Muhammad Saeed; Sultana, Najma; Abbas, Hira Fatima

    2015-02-01

    This work describes a RP-HPLC method for the determination and interaction studies of cefpirome with ACE-inhibitors (captopril, enalapril and lisinopril) in various buffers. The separation and interaction of cefpirome with ACE-inhibitors was achieved on a Purospher Star, C18 (5 μm, 250 × 4.6 mm) column. Mobile phase consisted of methanol: water (80:20, v/v, pH 3.3); however, for the separation of lisinopril, it was modified to methanol-water (40:60, v/v, pH 3.3) and pumped at a flow rate of 1 mL min-1. In all cases, UV detection was performed at 225 nm. Interactions were carried out in physiological pH i.e., pH 1 (simulated gastric juice), 4 (simulated full stomach), 7.4 (blood pH) and 9 (simulated GI), drug contents were analyzed by reverse phase high performance liquid chromatography. Method was found linear in the concentration range of 1.0-50.0 μg mL-1 with correlation coefficient (r2) of 0.999. Precision (RSD%) was less than 2.0%, indicating good precision of the method and accuracy was 98.0-100.0%. Furthermore, cefpirome-ACE-inhibitors' complexes were also synthesized and results were elucidated on the basis of FT-IR, and 1H NMR. The interaction results show that these interactions are pH dependent and for the co-administration of cefpirome and ACE-inhibitors, a proper interval should be given.

  20. Colloidal diatomite, radionickel, and humic substance interaction: a combined batch, XPS, and EXAFS investigation.

    Science.gov (United States)

    Sheng, Guodong; Shen, Runpu; Dong, Huaping; Li, Yimin

    2013-06-01

    This work determined the influence of humic acid (HA) and fulvic acid (FA) on the interaction mechanism and microstructure of Ni(II) onto diatomite by using batch experiments, X-ray photoelectron spectroscopy (XPS), and extended X-ray absorption fine structure (EXAFS) methods. Macroscopic and spectroscopic experiments have been combined to see the evolution of the interaction mechanism and microstructure of Ni(II) in the presence of HA/FA as compared with that in the absence of HA/FA. The results indicated that the interaction of Ni(II) with diatomite presents the expected solution pH edge at 7.0, which is modified by addition of HA/FA. In the presence of HA/FA, the interaction of Ni(II) with diatomite increased below solution pH 7.0, while Ni(II) interaction decreased above solution pH 7.0. XPS analysis suggested that the enrichment of Ni(II) onto diatomite may be due to the formation of (≡SO)2Ni. EXAFS results showed that binary surface complexes and ternary surface complexes of Ni(II) can be simultaneously formed in the presence of HA/FA, whereas only binary surface complexes of Ni(II) are formed in the absence of HA/FA, which contribute to the enhanced Ni(II) uptake at low pH values. The results observed in this work are important for the evaluation of Ni(II) and related radionuclide physicochemical behavior in the natural soil and water environment.

  1. Recursion organization of interactive experiment control systems in distributed multi-level automated systems for scientific investigations

    International Nuclear Information System (INIS)

    Putilov, V.A.

    1985-01-01

    Problems of organization of multilevel distributed systems for complex investigations of different objects, phenomena and processes are discussed. Priori uncertainty of organization procedures of these investigations assumes compulsory presence of interactive means of communication of an investigator with the system at all the levels of solving complex problems. Recurrent models which assume detailed representation of the solved problem using decomposition tree of research purposes should be used as formal apparatus when developing the considered systems. Recurrent derivation of an algorithm of the problem solution is exercised using the problem-oriented LEADER language

  2. A multispectroscopic and molecular docking investigation of the binding interaction between serum albumins and acid orange dye

    Science.gov (United States)

    Naveenraj, Selvaraj; Solomon, Rajadurai Vijay; Mangalaraja, Ramalinga Viswanathan; Venuvanalingam, Ponnambalam; Asiri, Abdullah M.; Anandan, Sambandam

    2018-03-01

    The interaction of Acid Orange 10 (AO10) with bovine serum albumin (BSA) was investigated comparatively with that of human serum albumin (HSA) using multispectroscopic techniques for understanding their toxic mechanism. Further, density functional theory calculations and docking studies have been carried out to gain more insights into the nature of interactions existing between AO10 and serum albumins. The fluorescence results suggest that AO10 quenched the fluorescence of BSA through the combination of static and dynamic quenching mechanism. The same trend was followed in the interaction of AO10 with HSA. In addition to the type of quenching mechanism, the fluorescence spectroscopic results suggest that the binding occurs near the tryptophan moiety of serum albumins and the binding. AO10 has more binding affinity towards BSA than HSA. An AO10-Trp model has been created to explicitly understand the Csbnd Htbnd π interactions from Bader's quantum theory of atoms in molecules analysis which confirmed that AO10 bind more strongly with BSA than that of HSA due to the formation of three hydrogen bonds with BSA whereas it forms two hydrogen bonds in the case of HSA. These obtained results provide an in-depth understanding of the interaction of the acid azo dye AO10 with serum albumins. This interaction study provides insights into the underlying reasons for toxicity of AO10 relevant to understand its effect on bovids and humans during the blood transportation process.

  3. Investigation on molecular interaction of amino acids in aqueous disodium hydrogen phosphate solutions with reference to volumetric and compressibility measurements

    International Nuclear Information System (INIS)

    Kumar, Harsh; Singla, Meenu; Jindal, Rajeev

    2014-01-01

    Highlights: • Densities and speeds of sound of amino acids in aqueous disodium hydrogen phosphate. • Partial molar volumes and compressibility of transfer. • Positive values of transfer volume indicates interactions between ions of amino acids and TSC. • Ion–hydrophilic and hydrophilic–hydrophilic interactions are present. • Pair-wise interactions are dominant in the mixtures. -- Abstract: The interactions of amino acids glycine (Gly), L-alanine (Ala), and L-valine (Val) with disodium hydrogen phosphate (DSHP) as a function of temperature have been investigated by combination of volumetric and acoustic measurements. Densities (ρ) and speeds of sound (u) of amino acids in aqueous solutions of disodium hydrogen phosphate have been measured at T = (288.15, 293.15, 298.15, 303.15 and 308.15) K and atmospheric pressure. The apparent molar volume (V ϕ ), the partial molar volume (V ϕ 0 ) and standard partial molar volumes of transfer (ΔV ϕ 0 ) for amino acids from water to aqueous disodium hydrogen phosphate solutions have been calculated from density data. Partial molar adiabatic compressibility (κ ϕ,s ) and partial molar adiabatic compressibility of transfer (Δκ ϕ,S 0 ) have been calculated from speed of sound data. The pair (V AB , κ AB ) and triplet (V ABB , κ ABB ) interaction coefficient have been calculated from both the properties. The results have been explained based on competing patterns of interactions of co-solvents and the solute

  4. Investigation into interaction of CO/sub 2/ molecules with zeolites by infrared spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Ignat' eva, L A; Levshin, L V; Chukin, G D; Efimenko, L V; Kozlova, T I [Moskovskij Gosudarstvennyj Univ. (USSR). Kafedra Optiki

    1975-07-01

    Interaction of CO/sub 2/ molecules with zeolites, particularly with SrNaJ was studied by infrared-spectroscopy. To obtain infrared-spectra the zeolites were pressed into tablets and were calcinated at 500 deg. In the spectra the bands of chemisorbed CO/sub 2/ absorption were found in the range 1300 - 1600 cm/sup -1/. The CO/sub 2/ molecule was found to be strongly deformed due to chemisorption. In terms of electronic structure of the zeolite crystalline skeleton several types of CO/sub 2/ molecules interaction with different active zeolites were found. The position of the high-frequency band of CO/sub 2/ absorption in zeolites spectra was found to be a linear function of electrostatic field of the cations.

  5. The investigation of the interaction between NCP-EDA and bovine serum albumin by spectroscopic approaches

    Science.gov (United States)

    Yu, Xianyong; Lu, Shiyu; Yang, Ying; Li, Xiaofang; Yi, Pinggui

    2011-12-01

    The fluorescence and ultraviolet spectroscopies were explored to study the interaction between N-confused porphyrins-edaravone diad (NCP-EDA) and bovine serum albumin (BSA) under simulative physiological condition at different temperatures. The experimental results show that the fluorescence quenching mechanism between NCP-EDA and BSA is a combined quenching (dynamic and static quenching). The binding constants, binding sites and the corresponding thermodynamic parameters (Δ G, Δ H, and Δ S) of the interaction system were calculated at different temperatures. According to Förster non-radiation energy transfer theory, the binding distance between NCP-EDA and BSA was calculated to be 3.63 nm. In addition, the effect of NCP-EDA on the conformation of BSA was analyzed using synchronous fluorescence spectroscopy.

  6. Investigations of the structure and electromagnetic interactions of few-body systems

    International Nuclear Information System (INIS)

    Lehman, D.R.; Haberzettl, H.; Maximon, L.C.; Parke, W.C.; Bennhold, C.; Ito, Hiroshi; Pratt, R.K.; Najmeddine, M.; Rakei, A.

    1993-07-01

    The emphasis of the nuclear theory group has been on the structure and electromagnetic interactions of few-body nuclei. Both low- and intermediate-energy electromagnetic disintegration of these nuclei is considered, including coherent photoproduction of π mesons. When the excitation energy of the target nucleus is low, the aim is to handle the continuum part of the theoretical work numerically with no approximations, that is, by means of full three- or four-body dynamics. When structure questions are the issue, numerically accurate calculations are always carried through, limited only by the underlying two-body or three-body interactions used as input. A central goal is to carry through state-of-the-art few-body calculations that will serve as a means of determining at what point standard nuclear physics requires introduction of relativity and/or quark degrees of freedom in order to understand the phenomena in question

  7. Research Update: Density functional theory investigation of the interactions of silver nanoclusters with guanine

    Directory of Open Access Journals (Sweden)

    Brandon B. Dale

    2017-05-01

    Full Text Available Bare and guanine-complexed silver clusters Ag n z (n = 2-6; z = 0-2 are examined using density functional theory to elucidate the geometries and binding motifs that are present experimentally. Whereas the neutral systems remain planar in this size range, a 2D-3D transition occurs at Ag 5 + for the cationic system and at Ag 4 2 + for the dicationic system. Neutral silver clusters can bind with nitrogen 3 or with the pi system of the base. However, positively charged clusters interact with nitrogen 7 and the neighboring carbonyl group. Thus, the cationic silver-DNA clusters present experimentally may preferentially interact at these sites.

  8. The role of forensic death investigators interacting with the survivors of death by homicide and suicide.

    Science.gov (United States)

    Baumann, Robin; Stark, Sharon

    2015-01-01

    When sudden unexpected death occurs, an investigation ensues in an attempt to discover the cause and manner of death. Autopsies are performed when reasons for death are not obvious. They are used to provide information, confirm the cause of death, and/or reveal conditions not recognized before death (Hendricks, 2011). One important reason for performing an autopsy is to help families to understand what happened to their loved one so that they can begin the process of grieving. The way that the initial notification and investigation is handled can have a bearing on how a family's grief progresses. Forensic nurses are in a unique position to bring a holistic approach to death investigation with a focus of care that includes not only the decedent but the surviving loved ones as well (Koehler, 2008). Forensic nurse death investigators can assist families through initial stages of grief in the investigation of death.

  9. Investigating social functioning after early mild TBI: the quality of parent-child interactions.

    Science.gov (United States)

    Lalonde, Gabrielle; Bernier, Annie; Beaudoin, Cindy; Gravel, Jocelyn; Beauchamp, Miriam H

    2018-03-01

    The young brain is particularly vulnerable to injury due to inherent physiological and developmental factors, and even mild forms of traumatic brain injury (mTBI) can sometimes result in cognitive and behavioural difficulties. Despite the high prevalence of paediatric mTBI, little is known of its impact on children's social functioning. Parent-child relationships represent the centre of young children's social environments and are therefore ideal contexts for studying the potential effects of mTBI on children's social functioning. The aim of this study was to assess the quality of parent-child interactions after mTBI using observational assessment methods and parental report. The sample included 130 children (18-60 months at recruitment) divided into three groups: children with uncomplicated mTBI (n = 47), children with orthopaedic injury (OI, n = 27), and non-injured children (NI, n = 56). The quality of parent-child interactions was assessed 6 months post-injury using the Mutually Responsive Orientation (MRO) scale, an observational measure which focuses on the dyadic nature of parent-child exchanges, and the Parental Stress Index questionnaire (Parent-Child Dysfunctional Interaction (PCDI) domain). Significant differences with medium effect sizes were found between the mTBI group and the NI group on the MRO, but not between the OI group and the other two groups. PCDI scores did not differ across groups, suggesting that observational measures may be more sensitive to changes in parent-child interactions after TBI. The current findings have implications for children's post-injury social development and highlight the importance of monitoring social outcomes even after minor head injuries. © 2016 The British Psychological Society.

  10. Investigating cardiorespiratory interaction by cross-spectral analysis of event series

    Science.gov (United States)

    Schäfer, Carsten; Rosenblum, Michael G.; Pikovsky, Arkady S.; Kurths, Jürgen

    2000-02-01

    The human cardiovascular and respiratory systems interact with each other and show effects of modulation and synchronization. Here we present a cross-spectral technique that specifically considers the event-like character of the heartbeat and avoids typical restrictions of other spectral methods. Using models as well as experimental data, we demonstrate how modulation and synchronization can be distinguished. Finally, we compare the method to traditional techniques and to the analysis of instantaneous phases.

  11. Experimental and Theoretical Investigation of the Aromatic-Aromatic Interaction in Isolated Capped Dipeptides

    Czech Academy of Sciences Publication Activity Database

    Gloaguen, E.; Valdés, H.; Pagliarulo, F.; Pollet, R.; Tardivel, B.; Hobza, Pavel; Piuzzi, F.; Mons, M.

    2010-01-01

    Roč. 114, č. 9 (2010), s. 2973-2982 ISSN 1089-5639 R&D Projects: GA MŠk LC512 Institutional research plan: CEZ:AV0Z40550506 Keywords : aromatic residues interactions * Ac-Phe-Phe-NH2 dipeptides * Ac-Phe-D-Phe-NH2 dipeptides * correlated ab initio calculations Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.732, year: 2010

  12. Synchrotron X-ray Investigations of Mineral-Microbe-Metal Interactions

    International Nuclear Information System (INIS)

    Kemner, Kenneth M.; O'Loughlin, Edward J.; Kelly, Shelly D.; Boyanov, Maxim I.

    2005-01-01

    Interactions between microbes and minerals can play an important role in metal transformations (i.e. changes to an element's valence state, coordination chemistry, or both), which can ultimately affect that element's mobility. Mineralogy affects microbial metabolism and ecology in a system; microbes, in turn, can affect the system's mineralogy. Increasingly, synchrotron-based X-ray experiments are in routine use for determining an element's valence state and coordination chemistry, as well as for examining the role of microbes in metal transformations.

  13. MRIVIEW: An interactive computational tool for investigation of brain structure and function

    International Nuclear Information System (INIS)

    Ranken, D.; George, J.

    1993-01-01

    MRIVIEW is a software system which uses image processing and visualization to provide neuroscience researchers with an integrated environment for combining functional and anatomical information. Key features of the software include semi-automated segmentation of volumetric head data and an interactive coordinate reconciliation method which utilizes surface visualization. The current system is a precursor to a computational brain atlas. We describe features this atlas will incorporate, including methods under development for visualizing brain functional data obtained from several different research modalities

  14. Interactive multimodal ambulatory monitoring to investigate the association between physical activity and affect

    Directory of Open Access Journals (Sweden)

    Ulrich W. Ebner-Priemer

    2013-01-01

    Full Text Available Although there is a wealth of evidence that physical activity has positive effects on psychological health, a large proportion of people are inactive. Data regarding counts, steps, and movement patterns are limited in their ability to explain why people remain inactive. We propose that multimodal ambulatory monitoring, which combines the assessment of physical activity with the assessment of psychological variables, helps to elucidate real world physical activity. Whereas physical activity can be monitored continuously, psychological variables can only be assessed at discrete intervals, such as every hour. Moreover, the assessment of psychological variables must be linked to the activity of interest. For example, if an inactive and overweight person is physically active once a week, psychological variables should be assessed during this episode. Linking the assessment of psychological variables to episodes of an activity of interest can be achieved with interactive monitoring. The primary aim of our interactive multimodal ambulatory monitoring approach was to intentionally increase the number of e-diary assessments during active episodes.We developed and tested an interactive monitoring algorithm that continuously monitors physical activity in everyday life. When predefined thresholds are surpassed, the algorithm triggers a signal for participants to answer questions in their electronic diary.Using data from 70 participants wearing an accelerative device for 24 hours each, we found that our algorithm quadrupled the frequency of e-diary assessments during the activity episodes of interest compared to random sampling. Multimodal interactive ambulatory monitoring appears to be a promising approach to enhancing our understanding of real world physical activity and movement.

  15. An Empirical Investigation of the Effect of Interaction Justice Perception on Consumer Intentions after Complaining

    OpenAIRE

    Mahesh S. Bhandari; Michael J. Polonsky

    2014-01-01

    This study examined how apology as interaction justice impacts on consumer perceptions of service recovery attempt. Data was collected using hypothetical scenarios. Two types of service failures were proposed and the impact of recovery action on each failure type was compared. Findings include that there is direct effect of recovery action on consumer future intentions in both type of failures. Implications and direction to the future research were proposed.

  16. Interactions of helquats with chiral acidic aromatic analytes investigated by partial-filling affinity capillary electrophoresis

    Czech Academy of Sciences Publication Activity Database

    Růžička, Martin; Koval, Dušan; Vávra, Jan; Reyes Gutierrez, Paul Eduardo; Teplý, Filip; Kašička, Václav

    2016-01-01

    Roč. 1467, Oct 7 (2016), s. 417-426 ISSN 0021-9673 R&D Projects: GA ČR(CZ) GA15-01948S; GA ČR GA13-32974S; GA ČR GA13-19213S Institutional support: RVO:61388963 Keywords : affinity capillary electrophoresis * binding constant * chiral separation * helquats * noncovalent interactions * partial filling Subject RIV: CB - Analytical Chemistry , Separation Impact factor: 3.981, year: 2016

  17. Preliminary investigation of interconnected systems interactions for the safety injection system of Indian Point-3

    International Nuclear Information System (INIS)

    Alesso, H.P.; Lappa, D.A.; Smith, C.F.; Sacks, I.J.

    1983-01-01

    The rich diversity of ideas and techniques for analyzing interconnected systems interaction has presented the NRC with the problem of identifying methods appropriate for their own review and audit. This report presents the findings of a preliminary study using the Digraph Matrix Analysis method to evaluate interconnected systems interactions for the safety injection system of Indian Point-3. The analysis effort in this study was subjected to NRC constraints regarding the use of Boolean logic, the construction of simplified plant representations or maps, and the development of heuristic measures as specified by the NRC. The map and heuristic measures were found to be an unsuccessful approach. However, from the effort to model and analyze the Indian Point-3 safety injection system, including Boolean logic in the model, singleton and doubleton cut-sets were identified. It is recommended that efforts excluding Boolean logic and utilizing the NRC heuristic measures not be pursed further and that the Digraph Matrix approach (or other comparable risk assessment technique) with Boolean logic included to conduct the audit of the Indian Point-3 systems interaction study

  18. Investigating interactions between phospholipase B-Like 2 and antibodies during Protein A chromatography.

    Science.gov (United States)

    Tran, Benjamin; Grosskopf, Vanessa; Wang, Xiangdan; Yang, Jihong; Walker, Don; Yu, Christopher; McDonald, Paul

    2016-03-18

    Purification processes for therapeutic antibodies typically exploit multiple and orthogonal chromatography steps in order to remove impurities, such as host-cell proteins. While the majority of host-cell proteins are cleared through purification processes, individual host-cell proteins such as Phospholipase B-like 2 (PLBL2) are more challenging to remove and can persist into the final purification pool even after multiple chromatography steps. With packed-bed chromatography runs using host-cell protein ELISAs and mass spectrometry analysis, we demonstrated that different therapeutic antibodies interact to varying degrees with host-cell proteins in general, and PLBL2 specifically. We then used a high-throughput Protein A chromatography method to further examine the interaction between our antibodies and PLBL2. Our results showed that the co-elution of PLBL2 during Protein A chromatography is highly dependent on the individual antibody and PLBL2 concentration in the chromatographic load. Process parameters such as antibody resin load density and pre-elution wash conditions also influence the levels of PLBL2 in the Protein A eluate. Furthermore, using surface plasmon resonance, we demonstrated that there is a preference for PLBL2 to interact with IgG4 subclass antibodies compared to IgG1 antibodies. Copyright © 2016 Elsevier B.V. All rights reserved.

  19. Earthquake simulation, actual earthquake monitoring and analytical methods for soil-structure interaction investigation

    Energy Technology Data Exchange (ETDEWEB)

    Tang, H T [Seismic Center, Electric Power Research Institute, Palo Alto, CA (United States)

    1988-07-01

    Approaches for conducting in-situ soil-structure interaction experiments are discussed. High explosives detonated under the ground can generate strong ground motion to induce soil-structure interaction (SSI). The explosive induced data are useful in studying the dynamic characteristics of the soil-structure system associated with the inertial aspect of the SSI problem. The plane waves generated by the explosives cannot adequately address the kinematic interaction associated with actual earthquakes because of he difference in wave fields and their effects. Earthquake monitoring is ideal for obtaining SSI data that can address all aspects of the SSI problem. The only limitation is the level of excitation that can be obtained. Neither the simulated earthquake experiments nor the earthquake monitoring experiments can have exact similitude if reduced scale test structures are used. If gravity effects are small, reasonable correlations between the scaled model and the prototype can be obtained provided that input motion can be scaled appropriately. The key product of the in-situ experiments is the data base that can be used to qualify analytical methods for prototypical applications. (author)

  20. Interfacial Interaction of Titania Nanoparticles and Ligated Uranyl Species: A Relativistic DFT Investigation.

    Science.gov (United States)

    Zhao, Hong-Bo; Zheng, Ming; Schreckenbach, Georg; Pan, Qing-Jiang

    2017-03-06

    To understand interfacial behavior of actinides adsorbed onto mineral surfaces and unravel their structure-property relationship, the structures, electronic properties, and energetics of various ligated uranyl species adsorbed onto TiO 2 surface nanoparticle clusters (SNCs) were examined using relativistic density functional theory. Rutile (110) and anatase (101) titania surfaces, experimentally known to be stable, were fully optimized. For the former, models studied include clean and water-free Ti 27 O 64 H 20 (dry), partially hydrated (Ti 27 O 64 H 20 )(H 2 O) 8 (sol) and proton-saturated [(Ti 27 O 64 H 20 )(H 2 O) 8 (H) 2 ] 2+ (sat), while defect-free and defected anatase SNCs involving more than 38 TiO 2 units were considered. The aquouranyl sorption onto rutile SNCs is energetically preferred, with interaction energies of -8.54, -10.36, and -2.39 eV, respectively. Energy decomposition demonstrates that the sorption is dominated by orbital attractive interactions and modified by steric effects. Greater hydrogen-bonding involvement leads to increased orbital interactions (i.e., more negative energy) from dry to sol/sat complexes, while much larger steric interaction in the sat complex significantly reduces the sorption interaction (i.e., more positive energy). For dry SNC, adsorbates were varied from aquo to aquo-carbonato, to carbonato, to hydroxo uranyl species. Longer U-O surf /U-Ti distances and more positive sorption energies were calculated upon introducing carbonato and hydroxo ligands, indicative of weaker uranyl sorption onto the substrate. This is consistent with experimental observations that the uranyl sorption rate decreases upon raising solution pH value or adding carbon dioxide. Anatase SNCs adsorbing aquouranyl are even more exothermic, because more bonds are formed than in the case of rutile. Moreover, the anatase sorption can be tuned by surface defects as well as its Ti and O stoichiometry. All the aquouranyl-SNC complexes show similar

  1. The Reciprocal Relationship between Bipolar Disorder and Social Interaction: A Qualitative Investigation.

    Science.gov (United States)

    Owen, Rebecca; Gooding, Patricia; Dempsey, Robert; Jones, Steven

    2017-07-01

    Evidence suggests that social support can influence relapse rates, functioning and various clinical outcomes in people with bipolar disorder. Yet 'social support' is a poorly defined construct, and the mechanisms by which it affects illness course in bipolar disorder remain largely unknown. Key aims of this study were to ascertain which facets of social interaction affect mood management in bipolar disorder, and how symptoms of bipolar disorder can influence the level of support received. Semi-structured qualitative interviews were conducted with 20 individuals with bipolar disorder. Questions were designed to elicit: the effects of social interaction upon the management and course of bipolar disorder; and the impact of bipolar disorder upon social relationships. An inductive thematic analysis was used to analyse the data. Empathy and understanding from another person can make it easier to cope with bipolar disorder. Social interaction can also provide opportunities to challenge negative ruminative thoughts and prevent the onset of a major mood episode. The loss of social support, particularly through bereavement, creates a loss of control and can trigger mania or depression. Hypomanic symptoms can facilitate new social connections, whereas disinhibited and risky behaviour exhibited during mania can cause the breakdown of vital relationships. An in-depth clinical formulation of an individual's perceptions of how their illness affects and is affected by social interaction is crucial to understanding psychosocial factors which influence mood management. These results have clear application in interventions which aim to promote improved wellbeing and social functioning in bipolar disorder. Copyright © 2016 John Wiley & Sons, Ltd. The relationship between bipolar-related experiences and social interaction is complex and multi-faceted. Bipolar disorder can damage social relationships and create a loss of social control via extreme mood states, but it can also offer a

  2. Investigating CFTR and KCa3.1 Protein/Protein Interactions.

    Directory of Open Access Journals (Sweden)

    Hélène Klein

    Full Text Available In epithelia, Cl- channels play a prominent role in fluid and electrolyte transport. Of particular importance is the cAMP-dependent cystic fibrosis transmembrane conductance regulator Cl- channel (CFTR with mutations of the CFTR encoding gene causing cystic fibrosis. The bulk transepithelial transport of Cl- ions and electrolytes needs however to be coupled to an increase in K+ conductance in order to recycle K+ and maintain an electrical driving force for anion exit across the apical membrane. In several epithelia, this K+ efflux is ensured by K+ channels, including KCa3.1, which is expressed at both the apical and basolateral membranes. We show here for the first time that CFTR and KCa3.1 can physically interact. We first performed a two-hybrid screen to identify which KCa3.1 cytosolic domains might mediate an interaction with CFTR. Our results showed that both the N-terminal fragment M1-M40 of KCa3.1 and part of the KCa3.1 calmodulin binding domain (residues L345-A400 interact with the NBD2 segment (G1237-Y1420 and C- region of CFTR (residues T1387-L1480, respectively. An association of CFTR and F508del-CFTR with KCa3.1 was further confirmed in co-immunoprecipitation experiments demonstrating the formation of immunoprecipitable CFTR/KCa3.1 complexes in CFBE cells. Co-expression of KCa3.1 and CFTR in HEK cells did not impact CFTR expression at the cell surface, and KCa3.1 trafficking appeared independent of CFTR stimulation. Finally, evidence is presented through cross-correlation spectroscopy measurements that KCa3.1 and CFTR colocalize at the plasma membrane and that KCa3.1 channels tend to aggregate consequent to an enhanced interaction with CFTR channels at the plasma membrane following an increase in intracellular Ca2+ concentration. Altogether, these results suggest 1 that the physical interaction KCa3.1/CFTR can occur early during the biogenesis of both proteins and 2 that KCa3.1 and CFTR form a dynamic complex, the formation of which

  3. Application of Biologically-Based Lumping To Investigate the Toxicological Interactions of a Complex Gasoline Mixture

    Science.gov (United States)

    People are often exposed to complex mixtures of environmental chemicals such as gasoline, tobacco smoke, water contaminants, or food additives. However, investigators have often considered complex mixtures as one lumped entity. Valuable information can be obtained from these exp...

  4. Interaction of Microbiology and Pathology in Women Undergoing Investigations for Infertility

    Directory of Open Access Journals (Sweden)

    Joseph Debattista

    2004-01-01

    asymptomatic women undergoing investigation of infertility were correlated with the outcomes of microbiological screening for Chlamydia trachomatis, Mycoplasma pneumoniae, Mycoplasma hominis, ureaplasma species, Neisseria gonorrhoeae, Neisseria meningitidis and Chlamydia pneumoniae.

  5. Investigation on intermolecular interaction between berberine and β-cyclodextrin by 2D UV-Vis asynchronous spectra.

    Science.gov (United States)

    He, Anqi; Kang, Xiaoyan; Xu, Yizhuang; Noda, Isao; Ozaki, Yukihiro; Wu, Jinguang

    2017-10-05

    The interaction between berberine chloride and β-cyclodextrin (β-CyD) is investigated via 2D asynchronous UV-Vis spectrum. The occurrence of cross peaks around (420nm, 420nm) in 2D asynchronous spectrum reveals that specific intermolecular interaction indeed exists between berberine chloride and β-CyD. In spite of the difficulty caused by overlapping of cross peaks, we manage to confirm that the 420nm band of berberine undergoes a red-shift, and its bandwidth decreases under the interaction with β-CyD. The red-shift of the 420nm band that can be assigned to n-π* transition indicates the environment of berberine becomes more hydrophobic. The above spectral behavior is helpful in understanding why the solubility of berberine is enhanced by β-CyD. Copyright © 2017. Published by Elsevier B.V.

  6. Structural investigation of nucleophosmin interaction with the tumor suppressor Fbw7γ.

    Science.gov (United States)

    Di Matteo, A; Franceschini, M; Paiardini, A; Grottesi, A; Chiarella, S; Rocchio, S; Di Natale, C; Marasco, D; Vitagliano, L; Travaglini-Allocatelli, C; Federici, L

    2017-09-18

    Nucleophosmin (NPM1) is a multifunctional nucleolar protein implicated in ribogenesis, centrosome duplication, cell cycle control, regulation of DNA repair and apoptotic response to stress stimuli. The majority of these functions are played through the interactions with a variety of protein partners. NPM1 is frequently overexpressed in solid tumors of different histological origin. Furthermore NPM1 is the most frequently mutated protein in acute myeloid leukemia (AML) patients. Mutations map to the C-terminal domain and lead to the aberrant and stable localization of the protein in the cytoplasm of leukemic blasts. Among NPM1 protein partners, a pivotal role is played by the tumor suppressor Fbw7γ, an E3-ubiquitin ligase that degrades oncoproteins like c-MYC, cyclin E, Notch and c-jun. In AML with NPM1 mutations, Fbw7γ is degraded following its abnormal cytosolic delocalization by mutated NPM1. This mechanism also applies to other tumor suppressors and it has been suggested that it may play a key role in leukemogenesis. Here we analyse the interaction between NPM1 and Fbw7γ, by identifying the protein surfaces implicated in recognition and key aminoacids involved. Based on the results of computational methods, we propose a structural model for the interaction, which is substantiated by experimental findings on several site-directed mutants. We also extend the analysis to two other NPM1 partners (HIV Tat and CENP-W) and conclude that NPM1 uses the same molecular surface as a platform for recognizing different protein partners. We suggest that this region of NPM1 may be targeted for cancer treatment.

  7. Investigation into interaction of mixture of zinc and neodymium nitrates with sodium tungstates in aqueous solutions

    Energy Technology Data Exchange (ETDEWEB)

    Rozantsev, G M; Krivobok, V I [Donetskij Gosudarstvennyj Univ. (Ukrainian SSR)

    1978-09-01

    The methods of residual concentrations, pH-potentiometry, and conductometry have been used for studying interaction between the mixture of zinc and neodymium nitrates with sodium tungstate in aqueous solutions. It has been established that independent of the ratio between the components the reaction product is a mixture of simultaneously precipitated zinc and neodymium orthotungstates. Thermal treatment of such mixtures at 650-700 deg C for 40 h and subsequent hardening yields solid solution of the structure ..cap alpha..-Eu/sub 2/(WO/sub 4/)/sub 3/ within the concentration range 85-100 mol % of Nd/sub 2/(WO/sub 4/)/sub 3/.

  8. Investigation of the interaction of hydroxyapatite with technetium in association with stannous pyrophosphate

    International Nuclear Information System (INIS)

    Billinghurst, M.W.; Jette, D.; Somers, E.

    1981-01-01

    The individual components of technetium-99m stannous pyrophosphate were studied with respect to their interaction with hydroxyapatite. It is demonstrated that the role of the pyrophosphate molecule is one of a solubilizing and transporting molecule to carry the technetium atom to the site of the hydroxyapatite where the chelate disassociates and both the pyrophosphate and the technetium individually bind to the hydroxyapatite. The stannous ion is shown to associate with the hydroxyapatite also and although also solubilized by the pyrophosphate appears to be less strongly associated with the pyrophosphate. (author)

  9. Investigation of zirconium oxychloride interaction with acetylacetone by the method of pH-metric titration

    International Nuclear Information System (INIS)

    Zharkova, N.Ya.; Martynenko, L.I.; Dzyubenko, N.G.

    1989-01-01

    Interaction of zirconium oxychloride with acetylacetone (NA) was studied by the method of pH-metric titration using KOH and NH 4 OH as neutralizing agents. It is shown that processes of hydrolysis and complexation complete in the system. It was established that decrease of hydrolysis of Zr-containing complex forms and ZrA 4 · 10H 2 O isolation takes place in relatively concentrated solutions of ZrOCl 2 and NA mixture, taken with 1:4 molar ratio when using NH 4 OH as neutralizing agent

  10. A spectroscopic and catalytic investigation of active phase-support interactions

    Energy Technology Data Exchange (ETDEWEB)

    Haller, G.L.

    1991-01-01

    Active catalytic phases (metal, mixed metals, oxide or mixed oxides) interacting with oxide support on which the active phase is dispersed can affect the percentage exposed, the morphology of supported particles, the degree of reducibility of cations, etc., in a variety of ways. Our objective is to characterize the physical chemistry of the active phase-oxide support by spectroscopic methods and to correlate this structure with catalytic function. The three systems discussed in this progress report are Ag/TiO{sub 2}, Ru-Cu/SiO{sub 2} and SiO{sub 2}/Al{sub 2}O{sub 3}. 24 refs., 3 figs., 2 tabs.

  11. Experimental setup for the investigation of fluid–structure interactions in a T-junction

    Energy Technology Data Exchange (ETDEWEB)

    Kuschewski, M., E-mail: mario.kuschewski@ike.uni-stuttgart.de [University of Stuttgart, Institute for Nuclear Technology and Energy Systems, Pfaffenwaldring 31, 70569 Stuttgart (Germany); Kulenovic, R., E-mail: rudi.kulenovic@ike.uni-stuttgart.de [University of Stuttgart, Institute for Nuclear Technology and Energy Systems, Pfaffenwaldring 31, 70569 Stuttgart (Germany); Laurien, E., E-mail: eckart.laurien@ike.uni-stuttgart.de [University of Stuttgart, Institute for Nuclear Technology and Energy Systems, Pfaffenwaldring 31, 70569 Stuttgart (Germany)

    2013-11-15

    Water experiments were carried out for fluid structure interaction aspects of non-isothermal mixing in a T-junction which is part of a new test facility. The main subject of this paper is firstly to present the new facility and secondly, to demonstrate the Near-Wall LED-Induced-Fluorescence (NWLED-IF) technique, which is a new experimental method for studying fluid–structure interaction under conditions similar to those in LWR. The Fluid–Structure-Interaction-Setup is a closed-loop T-junction facility with a design pressure of 75 bar and a maximum temperature of 280 °C. The water streams are mixed in a horizontally aligned, sharp-edge, 90° T-junction. The forged T-junction is made of austenitic steel 1.4550 (X6 CrNiNb 18-10) with reduced carbon content in accordance with the German KTA 3201.1. It is equipped with 24 thermocouples (1 mm in diameter) in blind holes, which have a surface offset of 1–3 mm. The facility design comprises interchangeable modules, which can be arranged upstream or downstream of the T-junction. Two of these modules provide an optical access to the fluid by means of flanges and tubes made of glass. Additional experiments are conducted in an isothermal T-junction facility and at the Fluid–Structure Interaction Facility. It is demonstrated that the Near-Wall LED-Induced-Fluorescence technique is an image-based measurement method that provides spatially and temporally resolved information of the turbulent flow in the mixing region of the T-junction even under presence of high density differences. In all experiments a buoyancy-driven stratified flow is observed. The light fluid arranges itself on top of the denser which is characterized by a meander-like structure. The experiments are conducted under different fluid-mechanical boundary conditions, yet fluid patterns were similar and the stratification and the meander-like structures were captured by the Near-Wall LED-Induced-Fluorescence technique. The presented experiment is the first

  12. Experimental setup for the investigation of fluid–structure interactions in a T-junction

    International Nuclear Information System (INIS)

    Kuschewski, M.; Kulenovic, R.; Laurien, E.

    2013-01-01

    Water experiments were carried out for fluid structure interaction aspects of non-isothermal mixing in a T-junction which is part of a new test facility. The main subject of this paper is firstly to present the new facility and secondly, to demonstrate the Near-Wall LED-Induced-Fluorescence (NWLED-IF) technique, which is a new experimental method for studying fluid–structure interaction under conditions similar to those in LWR. The Fluid–Structure-Interaction-Setup is a closed-loop T-junction facility with a design pressure of 75 bar and a maximum temperature of 280 °C. The water streams are mixed in a horizontally aligned, sharp-edge, 90° T-junction. The forged T-junction is made of austenitic steel 1.4550 (X6 CrNiNb 18-10) with reduced carbon content in accordance with the German KTA 3201.1. It is equipped with 24 thermocouples (1 mm in diameter) in blind holes, which have a surface offset of 1–3 mm. The facility design comprises interchangeable modules, which can be arranged upstream or downstream of the T-junction. Two of these modules provide an optical access to the fluid by means of flanges and tubes made of glass. Additional experiments are conducted in an isothermal T-junction facility and at the Fluid–Structure Interaction Facility. It is demonstrated that the Near-Wall LED-Induced-Fluorescence technique is an image-based measurement method that provides spatially and temporally resolved information of the turbulent flow in the mixing region of the T-junction even under presence of high density differences. In all experiments a buoyancy-driven stratified flow is observed. The light fluid arranges itself on top of the denser which is characterized by a meander-like structure. The experiments are conducted under different fluid-mechanical boundary conditions, yet fluid patterns were similar and the stratification and the meander-like structures were captured by the Near-Wall LED-Induced-Fluorescence technique. The presented experiment is the first

  13. Proteomics in the investigation of HIV-1 interactions with host proteins.

    Science.gov (United States)

    Li, Ming

    2015-02-01

    Productive HIV-1 infection depends on host machinery, including a broad array of cellular proteins. Proteomics has played a significant role in the discovery of HIV-1 host proteins. In this review, after a brief survey of the HIV-1 host proteins that were discovered by proteomic analyses, I focus on analyzing the interactions between the virion and host proteins, as well as the technologies and strategies used in those proteomic studies. With the help of proteomics, the identification and characterization of HIV-1 host proteins can be translated into novel antiretroviral therapeutics. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  14. Investigation of the Interaction between Mucins and β-Lactoglobulin under Tribological Stress

    DEFF Research Database (Denmark)

    Celebioglu, Hilal Yilmaz; Guðjónsdóttir, María; Chronakis, Ioannis S.

    2016-01-01

    as characterizedby bicinchoninic acid (BCA) assay revealed that both bovine submaxillary mucin (BSM) and porcine gastric mucin (PGM) showed distinctly higher adsorbed masses compared to BLG onto polydimethylsiloxane(PDMS) or polystyrene (PS) surfaces. The adsorbed masses of the mixed protein solutions, namely BLGe...... pressure, speed range, and slide/roll ratio, the dominant lubrication mechanism of the protein solutions was boundary lubrication. BLGeBSM mixture showed the highest level of degradation in the lubricity of BSM at pH 5, although BLGesaliva interaction is known to degrade the lubricity most rapidly at more...

  15. Development of Methodologies, Metrics, and Tools for Investigating Human-Robot Interaction in Space Robotics

    Science.gov (United States)

    Ezer, Neta; Zumbado, Jennifer Rochlis; Sandor, Aniko; Boyer, Jennifer

    2011-01-01

    Human-robot systems are expected to have a central role in future space exploration missions that extend beyond low-earth orbit [1]. As part of a directed research project funded by NASA s Human Research Program (HRP), researchers at the Johnson Space Center have started to use a variety of techniques, including literature reviews, case studies, knowledge capture, field studies, and experiments to understand critical human-robot interaction (HRI) variables for current and future systems. Activities accomplished to date include observations of the International Space Station s Special Purpose Dexterous Manipulator (SPDM), Robonaut, and Space Exploration Vehicle (SEV), as well as interviews with robotics trainers, robot operators, and developers of gesture interfaces. A survey of methods and metrics used in HRI was completed to identify those most applicable to space robotics. These methods and metrics included techniques and tools associated with task performance, the quantification of human-robot interactions and communication, usability, human workload, and situation awareness. The need for more research in areas such as natural interfaces, compensations for loss of signal and poor video quality, psycho-physiological feedback, and common HRI testbeds were identified. The initial findings from these activities and planned future research are discussed. Human-robot systems are expected to have a central role in future space exploration missions that extend beyond low-earth orbit [1]. As part of a directed research project funded by NASA s Human Research Program (HRP), researchers at the Johnson Space Center have started to use a variety of techniques, including literature reviews, case studies, knowledge capture, field studies, and experiments to understand critical human-robot interaction (HRI) variables for current and future systems. Activities accomplished to date include observations of the International Space Station s Special Purpose Dexterous Manipulator

  16. INTERACT

    DEFF Research Database (Denmark)

    Jochum, Elizabeth; Borggreen, Gunhild; Murphey, TD

    This paper considers the impact of visual art and performance on robotics and human-computer interaction and outlines a research project that combines puppetry and live performance with robotics. Kinesics—communication through movement—is the foundation of many theatre and performance traditions ...

  17. Molecular Dynamics Simulation to Investigate the Interaction of Asphaltene and Oxide in Aggregate

    Directory of Open Access Journals (Sweden)

    Rui Li

    2016-01-01

    Full Text Available The asphalt-aggregate interface interaction (AAI plays a significant role in the overall performances of asphalt mixture, which is caused due to the complicated physicochemical processes and is influenced by various factors, including the acid-base property of aggregates. In order to analyze the effects of the chemical constitution of aggregate on the AAI, the average structure C65H74N2S2 is selected to represent the asphaltene in asphalt and magnesium oxide (MgO, calcium oxide (CaO, aluminium sesquioxide (Al2O3, and silicon dioxide (SiO2 are selected to represent the major oxides in aggregate. The molecular models are established for asphaltene and the four oxides, respectively, and the molecular dynamics (MD simulation was conducted for the four kinds of asphaltene-oxide system at different temperatures. The interfacial energy in MD simulation is calculated to evaluate the AAI, and higher value means better interaction. The results show that interfacial energy between asphaltene and oxide reaches the maximum value at 25°C and 80°C and the minimum value at 40°C. In addition, the interfacial energy between asphaltene and MgO was found to be the greatest, followed by CaO, Al2O3, and SiO2, which demonstrates that the AAI between asphalt and alkaline aggregates is better than acidic aggregates.

  18. Molecular Modeling of Myrosinase from Brassica oleracea: A Structural Investigation of Sinigrin Interaction

    Directory of Open Access Journals (Sweden)

    Sathishkumar Natarajan

    2015-12-01

    Full Text Available Myrosinase, which is present in cruciferous plant species, plays an important role in the hydrolysis of glycosides such as glucosinolates and is involved in plant defense. Brassicaceae myrosinases are diverse although they share common ancestry, and structural knowledge about myrosinases from cabbage (Brassica oleracea was needed. To address this, we constructed a three-dimensional model structure of myrosinase based on Sinapis alba structures using Iterative Threading ASSEmbly Refinement server (I-TASSER webserver, and refined model coordinates were evaluated with ProQ and Verify3D. The resulting model was predicted with β/α fold, ten conserved N-glycosylation sites, and three disulfide bridges. In addition, this model shared features with the known Sinapis alba myrosinase structure. To obtain a better understanding of myrosinase–sinigrin interaction, the refined model was docked using Autodock Vina with crucial key amino acids. The key nucleophile residues GLN207 and GLU427 were found to interact with sinigrin to form a hydrogen bond. Further, 20-ns molecular dynamics simulation was performed to examine myrosinase–sinigrin complex stability, revealing that residue GLU207 maintained its hydrogen bond stability throughout the entire simulation and structural orientation was similar to that of the docked state. This conceptual model should be useful for understanding the structural features of myrosinase and their binding orientation with sinigrin.

  19. Structural Investigation of the Interaction between LolA and LolB Using NMR

    Science.gov (United States)

    Nakada, Shingo; Sakakura, Masayoshi; Takahashi, Hideo; Okuda, Suguru; Tokuda, Hajime; Shimada, Ichio

    2009-01-01

    Lipoproteins that play critical roles in various cellular functions of Gram-negative bacteria are localized in the cells inner and outer membranes. Lol proteins (LolA, LolB, LolC, LolD, and LolE) are involved in the transportation of outer membrane-directed lipoproteins from the inner to the outer membrane. LolA is a periplasmic chaperone that transports lipoproteins, and LolB is an outer membrane receptor that accepts lipoproteins. To clarify the structural basis for the lipoprotein transfer from LolA to LolB, we examined the interaction between LolA and mLolB, a soluble mutant of LolB, using solution NMR spectroscopy. We determined the interaction mode between LolA and mLolB with conformational changes of LolA. Based upon the observations, we propose that the LolA·LolB complex forms a tunnel-like structure, where the hydrophobic insides of LolA and LolB are connected, which enables lipoproteins to transfer from LolA to LolB. PMID:19546215

  20. Investigating student communities with network analysis of interactions in a physics learning center

    Directory of Open Access Journals (Sweden)

    Eric Brewe

    2012-01-01

    Full Text Available Developing a sense of community among students is one of the three pillars of an overall reform effort to increase participation in physics, and the sciences more broadly, at Florida International University. The emergence of a research and learning community, embedded within a course reform effort, has contributed to increased recruitment and retention of physics majors. We utilize social network analysis to quantify interactions in Florida International University’s Physics Learning Center (PLC that support the development of academic and social integration. The tools of social network analysis allow us to visualize and quantify student interactions and characterize the roles of students within a social network. After providing a brief introduction to social network analysis, we use sequential multiple regression modeling to evaluate factors that contribute to participation in the learning community. Results of the sequential multiple regression indicate that the PLC learning community is an equitable environment as we find that gender and ethnicity are not significant predictors of participation in the PLC. We find that providing students space for collaboration provides a vital element in the formation of a supportive learning community.

  1. Investigating student communities with network analysis of interactions in a physics learning center

    Science.gov (United States)

    Brewe, Eric; Kramer, Laird; Sawtelle, Vashti

    2012-06-01

    Developing a sense of community among students is one of the three pillars of an overall reform effort to increase participation in physics, and the sciences more broadly, at Florida International University. The emergence of a research and learning community, embedded within a course reform effort, has contributed to increased recruitment and retention of physics majors. We utilize social network analysis to quantify interactions in Florida International University’s Physics Learning Center (PLC) that support the development of academic and social integration. The tools of social network analysis allow us to visualize and quantify student interactions and characterize the roles of students within a social network. After providing a brief introduction to social network analysis, we use sequential multiple regression modeling to evaluate factors that contribute to participation in the learning community. Results of the sequential multiple regression indicate that the PLC learning community is an equitable environment as we find that gender and ethnicity are not significant predictors of participation in the PLC. We find that providing students space for collaboration provides a vital element in the formation of a supportive learning community.

  2. The investigation of the interaction between piracetam and bovine serum albumin by spectroscopic methods

    Science.gov (United States)

    Guo, Xingjia; Han, Xiaowei; Tong, Jian; Guo, Chuang; Yang, Wenfeng; Zhu, Jifen; Fu, Bing

    2010-03-01

    The interaction between piracetam (OPA) with bovine serum albumin (BSA) has been thoroughly studied by fluorescence quenching technique in combination with UV-vis absorption, Fourier transform infrared (FT-IR), and circular dichroism (CD) spectroscopies under the simulative physiological conditions. The quenching of BSA fluorescence by OPA was found to be a static quenching process. The binding constants ( K a) are 3.014, 2.926, and 2.503 × 10 3 M -1 at 292, 298, and 309 K, respectively. According to the van't Hoff equation, the thermodynamic functions standard enthalpy (Δ H) and standard entropy (Δ S) for the reaction were calculated to be -74.560 kJ mol -1 and -159.380 J mol -1 K -1, which indicated that OPA binds to BSA mainly by hydrogen bonds and van der Waals interactions. The binding distance between BSA and OPA was calculated to be 4.10 nm according to the theory of FÖrster's non-radiation energy transfer. The displacement experiments confirmed that OPA could bind to the site I of BSA. Furthermore, the effects of pH and some common ions on the binding constant were also examined. And the alterations of protein secondary structure in the presence of OPA were observed by the CD and FT-IR spectra.

  3. Spectroscopic investigation on interaction of toluidine blue/ AOT/ γ-cyclodextrin ternary system

    Energy Technology Data Exchange (ETDEWEB)

    Dasmandal, Somnath; Bhattacharyya, Debabrata; Rudra, Suparna; Patel, Biman Kumar; Mahapatra, Ambikesh, E-mail: amahapatra@chemistry.jdvu.ac.in

    2016-11-15

    Interaction of toluidine blue (TB), a biologically potent cationic phenothiazinium dye, with anionic surfactant, sodium bis(2-ethylhexyl) sulfosuccinate (AOT) have been thoroughly studied employing absorption and emission spectroscopy. A completely distinct spectral behavior of TB has been observed corresponding to pre-micellar and post-micellar region of AOT. Steady-state fluorescence anisotropy measurement has been carefully undertaken to rationalize the spectroscopic results. Effect of γ-cyclodextrin (γ-CD) on the spectral properties of TB has also been encountered for understanding of binding interaction between them. Molecular docking study has been accomplished to enlighten the probable orientation of TB inside the γ-CD core. Here particular interest has been focused on a mixed system, composed of AOT pre-micelles and γ-CD. A remarkable diminution of both absorption and emission intensities of TB has been observed in AOT pre-micelle with a simultaneous colorimetric change of TB solution from dark blue to lavender, and subsequent addition of γ-CD results in enhancement of intensities with dramatic reversal of the lavender colored solution to the original dark blue color. The emission characteristics of TB in the presence of AOT and γ-CD may prove as promising for an ‘IMPLICATION’ logic gate which may perform a significant role in the field of molecular electronics.

  4. Investigation of the interactions between 1-butyl-3-methylimidazolium-based ionic liquids and isobutylene using density functional theory.

    Science.gov (United States)

    Li, Xiaoning; Guo, Wenli; Wu, Yibo; Li, Wei; Gong, Liangfa; Zhang, Xiaoqian; Li, Shuxin; Shang, Yuwei; Yang, Dan; Wang, Hao

    2018-03-06

    To identify ionic liquids (ILs) that could be used as solvents in isobutylene (IB) polymerization, the interactions between IB and eight different ILs based on the 1-butyl-3-methylimidazolium cation ([Bmim] + ) were investigated using density functional theory (DFT). The anions in the ILs were chloride, hexafluorophosphate, tetrafluoroborate, bis[(trifluoromethyl)sulfonyl]imide, tetrachloroaluminate ([AlCl 4 ] - ), tetrachloroferrate, acetate, and trifluoroacetate. The interaction geometries were explained by changes in the total energy, intermolecular distances, Hirshfeld charges, and the electrostatic potential surface. The IL solvents were screened by comparing their interaction intensities with IB to the interaction intensities of reference ILs ([AlCl 4 ] - -based ILs) with IB. The microscopic mechanism for IB dissolution was rationalized by invoking a previously reported microscopic mechanism for the dissolution of gases in ILs. Computation results revealed that hydrogen (H) bonding between C2-H on the imidazolium ring and the anions plays a key role in ion pair (IP) formation. The addition of IB leads to slight changes in the dominant interactions of the IP. IB molecules occupied cavities created by small angular rearrangements of the anions, just as CO 2 does when it is dissolved in an IL. The limited total free space in the ILs and the much larger size of IB than CO 2 were found to be responsible for the poor solubility of IB compared with that of CO 2 in the ILs.

  5. Fluorescence resonance energy transfer: A promising tool for investigation of the interaction between 1-anthracene sulphonate and serum albumins

    International Nuclear Information System (INIS)

    Banerjee, Paltu; Ghosh, Saptaparni; Sarkar, Arindam; Bhattacharya, Subhash Chandra

    2011-01-01

    This present investigation has revealed that steady state as well as time-resolved fluorescence techniques can serve as highly sensitive monitors for exploring the interaction of fluorescent probe 1-anthracene sulphonate (1-AS) with model transport proteins, bovine serum albumin (BSA) and human serum albumin (HSA).We have focused on fluorescence resonance energy transfer (FRET) between excited tryptophan in transport proteins to 1-AS, for the study of relaxation dynamics of biological molecules.

  6. Investigating interactional competencies in Parkinson's disease: the potential benefits of a conversation analytic approach.

    Science.gov (United States)

    Griffiths, Sarah; Barnes, Rebecca; Britten, Nicky; Wilkinson, Ray

    2011-01-01

    Around 70% of people who develop Parkinson's disease (PD) experience speech and voice changes. Clinicians often find that when asked about their primary communication concerns, PD clients will talk about the difficulties they have 'getting into' conversations. This is an important area for clients and it has implications for quality of life and clinical management. To review the extant literature on PD and communication impairments in order to reveal key topic areas, the range of methodologies applied, and any gaps in knowledge relating to PD and social interaction and how these might be usefully addressed. A systematic search of a number of key databases and available grey literatures regarding PD and communication impairment was conducted (including motor speech changes, intelligibility, cognitive/language changes) to obtain a sense of key areas and methodologies applied. Research applying conversation analysis in the field of communication disability was also reviewed to illustrate the value of this methodology in uncovering common interactional difficulties, and in revealing the use of strategic collaborative competencies in naturally occurring conversation. In addition, available speech and language therapy assessment and intervention approaches to PD were examined with a view to their effectiveness in promoting individualized intervention planning and advice-giving for everyday interaction. A great deal has been written about the deficits underpinning communication changes in PD and the impact of communication disability on the self and others as measured in a clinical setting. Less is known about what happens for this client group in everyday conversations outside of the clinic. Current speech and language therapy assessments and interventions focus on the individual and are largely impairment based or focused on compensatory speaker-oriented techniques. A conversation analysis approach would complement basic research on what actually happens in everyday

  7. Investigation of the interaction between isomeric derivatives and human serum albumin by fluorescence spectroscopy and molecular modeling

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Ruiyong, E-mail: wangry@zzu.edu.cn; Dou, Huanjing; Yin, Yujing; Xie, Yuanzhe; Sun, Li; Liu, Chunmei; Dong, Jingjing; Huang, Gang; Zhu, Yanyan; Song, Chuanjun, E-mail: chjsong@zzu.edu.cn; Chang, Junbiao, E-mail: changjunbiao@zzu.edu.cn

    2014-10-15

    In this paper, we have synthesized 9H-pyrrolo[1,2-a]indol-9-ones and the isomeric indeno[2,1-b]pyrrol-8-ones. The interactions of human serum albumin with series of isomeric derivatives have been studied by spectrophotometric methods. Results show the intrinsic fluorescence is quenched by the derivatives with a static quenching procedure. The thermodynamics parameters indicate that van der Waals forces and hydrogen bonds play a major role in the interactions. The results of synchronous fluorescence spectra demonstrate that the microenvironments of Trp residue of human serum albumin are disturbed by most derivatives. Thermodynamic results showed that the 9H-pyrrolo[1,2-a]indol-9-ones are stronger quenchers and bind to human serum albumin with the higher affinity than isomeric indeno[2,1-b]pyrrol-8-ones. The influence of molecular structure on the binding aspects has been investigated. - Highlights: • The interactions between isomeric derivatives and HSA have been investigated. • Results reveal that 9H-pyrrolo[1,2-a]indol-9-ones are stronger quenchers for HSA. • Hydrogen bonds and van der Waals forces play major role in the binding process. • The influence of molecular structure on the binding aspects has been investigated. • The binding study was also modeled by molecular docking.

  8. Investigation of the interaction between isomeric derivatives and human serum albumin by fluorescence spectroscopy and molecular modeling

    International Nuclear Information System (INIS)

    Wang, Ruiyong; Dou, Huanjing; Yin, Yujing; Xie, Yuanzhe; Sun, Li; Liu, Chunmei; Dong, Jingjing; Huang, Gang; Zhu, Yanyan; Song, Chuanjun; Chang, Junbiao

    2014-01-01

    In this paper, we have synthesized 9H-pyrrolo[1,2-a]indol-9-ones and the isomeric indeno[2,1-b]pyrrol-8-ones. The interactions of human serum albumin with series of isomeric derivatives have been studied by spectrophotometric methods. Results show the intrinsic fluorescence is quenched by the derivatives with a static quenching procedure. The thermodynamics parameters indicate that van der Waals forces and hydrogen bonds play a major role in the interactions. The results of synchronous fluorescence spectra demonstrate that the microenvironments of Trp residue of human serum albumin are disturbed by most derivatives. Thermodynamic results showed that the 9H-pyrrolo[1,2-a]indol-9-ones are stronger quenchers and bind to human serum albumin with the higher affinity than isomeric indeno[2,1-b]pyrrol-8-ones. The influence of molecular structure on the binding aspects has been investigated. - Highlights: • The interactions between isomeric derivatives and HSA have been investigated. • Results reveal that 9H-pyrrolo[1,2-a]indol-9-ones are stronger quenchers for HSA. • Hydrogen bonds and van der Waals forces play major role in the binding process. • The influence of molecular structure on the binding aspects has been investigated. • The binding study was also modeled by molecular docking

  9. Learning Mathematics by Designing, Programming, and Investigating with Interactive, Dynamic Computer-Based Objects

    Science.gov (United States)

    Marshall, Neil; Buteau, Chantal

    2014-01-01

    As part of their undergraduate mathematics curriculum, students at Brock University learn to create and use computer-based tools with dynamic, visual interfaces, called Exploratory Objects, developed for the purpose of conducting pure or applied mathematical investigations. A student's Development Process Model of creating and using an Exploratory…

  10. Investigation of the low energy kaons hadronic interactions in light nuclei by AMADEUS

    Directory of Open Access Journals (Sweden)

    Piscicchia K.

    2014-01-01

    The aim of such investigations is to face the major open questions in hadron nuclear physics in the strangeness sector, such as the nature of the Λ(1405 state and the resonant versus non-resonant yield in nuclear K− capture, the possible existence of kaonic nuclear clusters, strongly related to a quantitative understanding of single versus multi-nucleon K− absorption.

  11. Investigating the Feedback Path in a Jet-Surface Resonant Interaction

    Science.gov (United States)

    Zaman, Khairul; Fagan, Amy; Bridges, James; Brown, Cliff

    2015-01-01

    A resonant interaction between an 8:1 aspect ratio rectangular jet and flat-plates, placed parallel to the jet, is addressed in this study. For certain relative locations of the plates, the resonance takes place with accompanying audible tones. Even when the tone is not audible the sound pressure level spectra is often marked by conspicuous peaks. The frequencies of the spectral peaks, as functions of the streamwise length of the plate and its relative location to the jet as well as the jet Mach number, are explored in an effort of understand the flow mechanism. It is demonstrated that the tones are not due to a simple feedback between the plates trailing edge and the nozzle exit; the leading edge also comes into play in determining the frequency. An acoustic feedback path, involving diffraction from the leading edge, appears to explain the frequencies of some of the spectral peaks.

  12. Superstar Exporters: An Empirical Investigation of Strategic Interactions in Danish Export Markets

    DEFF Research Database (Denmark)

    Ciliberto, Federico; Jäkel, Ina Charlotte

    , product and destination. We also obtain detailed information on applied, preferential tariff protection from the MAcMap-HS6 database. We find evidence of strong negative competitive effects of entry: in the absence of strategic competitive effects, firms would be 54.3 percentage points more likely...... to export to a given market. Next, we run two counterfactual exercises. We show that failing to account for the strategic interaction among superstar exporters leads to: (i) overstating the probability that firms would start exporting to a market following tariff elimination by 8 percentage points; and, (ii......) overstating the probability that firms would stop exporting to a market if tariffs were imposed by 7.5 percentage points. We also show that competitive effects vary across export markets and competitors. This heterogeneity in the competitive effects implies that there exist multiple equilibria, both...

  13. Experimental investigation of modal interactions in a beam-mass structure using bispectrum

    International Nuclear Information System (INIS)

    Khan, K.A.

    2001-01-01

    Observations and results pertaining to experiments with a beam-mass structure are presented. The experiments were conducted with the objective of understanding and characterizing the nonlinear interactions that occur during the motions of the structure, through the use of third-order spectra (bispectrum and bicoherence spectrum). The structure, tuned for two-to-one internal (autoparametric) resonance between its first two modes. was harmonically excited. The effect of misalignment between the components of the structure on bispectrum was also contemplated. The experimental results are provided in the form of frequency spectra, phase portraits, frequency-response curves, bispectra, and bicoherence spectra. Experimental observations of transitions from periodic to modulated motions are also presented. The potential of bispectral estimates for detecting the quadratic phase coupling among the participating modes during bifurcations and modulated motions is also contemplated. The current study is also relevant to other parametrically resonant structures like ships, rings, shells, and arches, etc. (author)

  14. Finite Element Investigations on the Interaction between a Pile and Swelling Clay

    DEFF Research Database (Denmark)

    Kaufmann, Kristine Lee; Nielsen, Benjaminn Nordahl; Augustesen, Anders Hust

    of Little Belt Clay. The case study involves a circular concrete pile installed in clay immediately after an excavation. The influence of the swelling soil on the soil–pile interaction and the internal pile forces are analysed by solely observing the upper pile part positioned in the swelling zone...... of the surrounding soil implies upward shear stresses at the soil–pile interface leading to tensile vertical stresses in the pile. In the current case, they exceed the tensile strength of concrete. The tensile vertical stresses peak after 35-50 years. However, the heave of the soil continues for additional 300 years....... It appears that the development of plastic interface implies the shrinkage of the pile....

  15. Investigation into the interaction of methylparaben and erythromycin with human serum albumin using multispectroscopic methods.

    Science.gov (United States)

    Naik, Keerti M; Nandibewoor, Sharanappa T

    2016-03-01

    In this paper, the interaction of methylparaben and erythromycin with human serum albumin (HSA) was studied for the first time using spectroscopic methods including Fourier transform infrared (FTIR) spectroscopy and UV absorption spectroscopy in combination with fluorescence quenching under physiological conditions. The binding parameters were evaluated using a fluorescence quenching method. Based on Förster's theory of non-radiation energy transfer, the binding average distance, r between the donor (HSA) and the acceptor (methylparaben and erythromycin) was evaluated. UV/vis absorption, FTIR, synchronous and 3D spectral results showed that the conformation of HSA was changed in the presence of methylparaben and erythromycin. The thermodynamic parameters were calculated according to the van't Hoff equation and are discussed. The effect of some biological metal ions and site probes on the binding of methylparaben and erythromycin to HSA were further examined. Copyright © 2015 John Wiley & Sons, Ltd.

  16. High pressure as a tool for investigating protein-ligand interactions

    International Nuclear Information System (INIS)

    Marchal, S; Lange, R; Tortora, P; Balny, C

    2004-01-01

    In recent years, the application of pressure on biological systems has gained increasing interest. Pressure-induced destabilization of electrostatic and hydrophobic interactions is currently exploited to study conformational protein stability and macromolecular assemblies of proteins. Due to links between severe human pathologies and ordered protein oligomerization into aggregates, which have become apparent, a better knowledge of the molecular and structural determinants that ensure the packing efficiency and stability of such complexes has taken on special importance. Here, we report the effect of pressure on the property of human ataxin-3 of aggregation. The results indicate the importance of its polyglutamine chain length in the stability and the tendency of the protein to form spheroids. Partial unfolding of the protein leading to solvent exposure of hydrophobic domains appears to be a prerequisite in the aggregation process of ataxin-3

  17. Theoretical investigation of nuclear quadrupole interactions in DNA at first-principles level

    Energy Technology Data Exchange (ETDEWEB)

    Mahato, Dip N. [State University of New York at Albany, Department of Physics (United States); Dubey, Archana [University of Central Florida, Department of Physics (United States); Pink, R. H. [State University of New York at Albany, Department of Physics (United States); Scheicher, R. H. [Uppsala University, Condensed Matter Theory Group, Department of Physics and Materials Science (Sweden); Badu, S. R. [State University of New York at Albany, Department of Physics (United States); Nagamine, K. [University of California at Riverside, Department of Physics (United States); Torikai, E. [Yamanashi University, Department of Electrical Engineering (Japan); Saha, H. P.; Chow, Lee [University of Central Florida, Department of Physics (United States); Huang, M. B. [State University of New York at Albany, College of Nanoscale Science and Engineering (United States); Das, T. P., E-mail: tpd56@albany.edu [State University of New York at Albany, Department of Physics (United States)

    2008-01-15

    We have studied the nuclear quadrupole interactions (NQI) of the {sup 14}N, {sup 17}O and {sup 2}H nuclei in the nucleobases cytosine, adenine, guanine and thymine in the free state as well as when they are bonded to the sugar ring in DNA, simulated through a CH{sub 3} group attached to the nucleobases. The nucleobase uracil, which replaces thymine in RNA, has also been studied. Our results show that there are substantial indirect effects of the bonding with the sugar group in the nucleic acids on the NQI parameters e{sup 2}qQ/h and {eta}. It is hoped that measurements of these NQI parameters in DNA will be available in the future to compare with our predictions. Our results provide the conclusion that for any property dependent on the electronic structures of the nucleic acids, the effects of the bonding between the nucleobases and the nucleic acid backbones have to be included.

  18. Structural and functional aspects of trypsin–gold nanoparticle interactions: An experimental investigation

    Energy Technology Data Exchange (ETDEWEB)

    Nidhin, Marimuthu [Department of Chemistry, Amity School of Applied Sciences, Center for Nanoscience and Technology, Amity University Haryana Amity Education Valley, Gurgaon, Haryana 122413 (India); Ghosh, Debasree [Department of Nanotechnology, Amity School of Applied Sciences, Center for Nanoscience and Technology, Amity University Haryana Amity Education Valley, Gurgaon, Haryana 122413 (India); Yadav, Himanshu; Yadav, Nitu [Department of Chemistry, Amity School of Applied Sciences, Center for Nanoscience and Technology, Amity University Haryana Amity Education Valley, Gurgaon, Haryana 122413 (India); Majumder, Sudip, E-mail: sudip22m@gmail.com [Department of Chemistry, Amity School of Applied Sciences, Center for Nanoscience and Technology, Amity University Haryana Amity Education Valley, Gurgaon, Haryana 122413 (India)

    2015-12-15

    Highlights: • Trypsin undergoes activation on incubation with gold nanoparticles. • Enhanced activity depends on the stoichiometry of the mixture. • Higher concentration of nanoparticles damage stability and conformation of trypsin. • Gold nanoparticles undergo morphological change on incubation with trypsin. - Abstract: Trypsin (Trp) is arguably the most important member of the serine proteases. Constructs made up of gold nanoparticles (GNP) with trypsin have been known to exhibit increased efficiency and stability in various experiments. Here we report simple Trp–GNP constructs mixed in different trypsin-to-GNP ratios which exhibit higher efficiencies in biochemical assay, varying resistance to autolysis and higher ability in cell trypsinization. Trp–GNP constructs in different trypsin-to-GNP ratios exhibit prolonged and sustained activity compared to native trypsin in N-α-p-benzoyl-p-nitroanilide (BAPNA) assay as monitored by UV-Visible spectroscopy. The activity was monitored as a function of decreasing rate of linear release of p-nitro aniline (resulting from the cleavage of BAPNA by trypsin) with time during the assay, whose absorbance was measured at 410 nm (λ{sub max} p-nitro aniline). We have done extensive studies to understand structural basis of this trypsin GNP interaction by using atomic force microscopy (AFM), transmission electron microscopy (TEM) and circular dichroism (CD) techniques. Our findings suggest that on interaction, the gold nanoparticles probably form an adherent layer on trypsin that effectively changes the morphology and dimensions of the nanoconstructs. However, trypsin-to-GNP ratio is extremely important, as higher concentration of GNP might damage the conformation of protein. Stability studies related to denaturation show that 1:1 Trp–GNP constructs exhibit maximum stability and high efficiency in all assays performed.

  19. Structural and functional aspects of trypsin–gold nanoparticle interactions: An experimental investigation

    International Nuclear Information System (INIS)

    Nidhin, Marimuthu; Ghosh, Debasree; Yadav, Himanshu; Yadav, Nitu; Majumder, Sudip

    2015-01-01

    Highlights: • Trypsin undergoes activation on incubation with gold nanoparticles. • Enhanced activity depends on the stoichiometry of the mixture. • Higher concentration of nanoparticles damage stability and conformation of trypsin. • Gold nanoparticles undergo morphological change on incubation with trypsin. - Abstract: Trypsin (Trp) is arguably the most important member of the serine proteases. Constructs made up of gold nanoparticles (GNP) with trypsin have been known to exhibit increased efficiency and stability in various experiments. Here we report simple Trp–GNP constructs mixed in different trypsin-to-GNP ratios which exhibit higher efficiencies in biochemical assay, varying resistance to autolysis and higher ability in cell trypsinization. Trp–GNP constructs in different trypsin-to-GNP ratios exhibit prolonged and sustained activity compared to native trypsin in N-α-p-benzoyl-p-nitroanilide (BAPNA) assay as monitored by UV-Visible spectroscopy. The activity was monitored as a function of decreasing rate of linear release of p-nitro aniline (resulting from the cleavage of BAPNA by trypsin) with time during the assay, whose absorbance was measured at 410 nm (λ_m_a_x p-nitro aniline). We have done extensive studies to understand structural basis of this trypsin GNP interaction by using atomic force microscopy (AFM), transmission electron microscopy (TEM) and circular dichroism (CD) techniques. Our findings suggest that on interaction, the gold nanoparticles probably form an adherent layer on trypsin that effectively changes the morphology and dimensions of the nanoconstructs. However, trypsin-to-GNP ratio is extremely important, as higher concentration of GNP might damage the conformation of protein. Stability studies related to denaturation show that 1:1 Trp–GNP constructs exhibit maximum stability and high efficiency in all assays performed.

  20. Interaction of magnetized electrons with a boundary sheath: investigation of a specular reflection model

    Science.gov (United States)

    Krüger, Dennis; Brinkmann, Ralf Peter

    2017-11-01

    This publication reports analytical and numerical results concerning the interaction of gyrating electrons with a plasma boundary sheath, with focus on partially magnetized technological plasmas. It is assumed that the electron Debye length {λ }{{D}} is much smaller than the electron gyroradius {r}{{L}}, and {r}{{L}} in turn much smaller than the mean free path λ and the gradient length L of the fields. Focusing on the scale of the gyroradius, the sheath is assumed as infinitesimally thin ({λ }{{D}}\\to 0), collisions are neglected (λ \\to ∞ ), the magnetic field is taken as homogeneous, and electric fields (=potential gradients) in the bulk are neglected (L\\to ∞ ). The interaction of an electron with the electric field of the plasma boundary sheath is represented by a specular reflection {v}\\to {v}-2{v}\\cdot {{e}}z {{e}}z of the velocity {v} at the plane z = 0 of a naturally oriented Cartesian coordinate system (x,y,z). The electron trajectory is then given as sequences of helical sections, with the kinetic energy ɛ and the canonical momenta p x and p y conserved, but not the position of the axis (base point {{R}}0), the slope (pitch angle χ), and the phase (gyrophase φ). A ‘virtual interaction’ which directly maps the incoming electrons to the outgoing ones is introduced and studied in dependence of the angle γ between the field and the sheath normal {{e}}z. The corresponding scattering operator is constructed, mathematically characterized, and given as an infinite matrix. An equivalent boundary condition for a transformed kinetic model is derived.

  1. Using satellites and global models to investigate aerosol-cloud interactions

    Science.gov (United States)

    Gryspeerdt, E.; Quaas, J.; Goren, T.; Sourdeval, O.; Mülmenstädt, J.

    2017-12-01

    Aerosols are known to impact liquid cloud properties, through both microphysical and radiative processes. Increasing the number concentration of aerosol particles can increase the cloud droplet number concentration (CDNC). Through impacts on precipitation processes, this increase in CDNC may also be able to impact the cloud fraction (CF) and the cloud liquid water path (LWP). Several studies have looked into the effect of aerosols on the CDNC, but as the albedo of a cloudy scene depends much more strongly on LWP and CF, an aerosol influence on these properties could generate a significant radiative forcing. While the impact of aerosols on cloud properties can be seen in case studies involving shiptracks and volcanoes, producing a global estimate of these effects remains challenging due to the confounding effect of local meteorology. For example, relative humidity significantly impacts the aerosol optical depth (AOD), a common satellite proxy for CCN, as well as being a strong control on cloud properties. This can generate relationships between AOD and cloud properties, even when there is no impact of aerosol-cloud interactions. In this work, we look at how aerosol-cloud interactions can be distinguished from the effect of local meteorology in satellite studies. With a combination global climate models and multiple sources of satellite data, we show that the choice of appropriate mediating variables and case studies can be used to develop constraints on the aerosol impact on CF and LWP. This will lead to improved representations of clouds in global climate models and help to reduce the uncertainty in the global impact of anthropogenic aerosols on cloud properties.

  2. Study on the interaction of the toxic food additive carmoisine with serum albumins: A microcalorimetric investigation

    International Nuclear Information System (INIS)

    Basu, Anirban; Kumar, Gopinatha Suresh

    2014-01-01

    Highlights: • Carmoisine binds to both the serum albumins with affinity of the order of 10 6 M −1 . • The binding was favored by negative enthalpy and positive entropy changes. • The binding was dominated by hydrophobic forces. • Carmoisine enhanced the thermal stability of both the proteins remarkably. - Abstract: The interaction of the synthetic azo dye and food colorant carmoisine with human and bovine serum albumins was studied by microcalorimetric techniques. A complete thermodynamic profile of the interaction was obtained from isothermal titration calorimetry studies. The equilibrium constant of the complexation process was of the order of 10 6 M −1 and the binding stoichiometry was found to be 1:1 with both the serum albumins. The binding was driven by negative standard molar enthalpy and positive standard molar entropy contributions. The binding affinity was lower at higher salt concentrations in both cases but the same was dominated by mostly non-electrostatic forces at all salt concentrations. The polyelectrolytic forces contributed only 5–8% of the total standard molar Gibbs energy change. The standard molar enthalpy change enhanced whereas the standard molar entropic contribution decreased with rise in temperature but they compensated each other to keep the standard molar Gibbs energy change almost invariant. The negative standard molar heat capacity values suggested the involvement of a significant hydrophobic contribution in the complexation process. Besides, enthalpy–entropy compensation phenomenon was also observed in both the systems. The thermal stability of the serum proteins was found to be remarkably enhanced on binding to carmoisine

  3. An experimental investigation of the interaction between feedback and goals on staff resource allocation

    OpenAIRE

    Roylance, Timothy M.

    1996-01-01

    Approved for public release; distribution is unlimited. The Department of Defense Information Technology budget stands at nine billion dollars and is under severe scrutiny while the backlog of required software continues to grow. It is thereby necessary to improve the efficiency of managing the software process. This thesis uses the Systems Dynamic Model of Software Project Management to investigate the effects of stated goals and project feedback on project manager behavior. Specifically,...

  4. Time-resolved interaction investigations of carbocyanine dyes and chlorophyll a in solution

    International Nuclear Information System (INIS)

    Feller, K.H.; Fassler, D.

    1983-01-01

    Using a Nd:YAG laser/streak camera system of 30 ps time resolution the quenching of the fluorescence of the carbocyanine dye ICC by chlorophyll a in methanolic solution was investigated. The fluorescence lifetime of ICC decreased within the chlorophyll concentration range 0 - 9x10 - 5 mol/l from 170 ps to 135 ps. The observed very effective fluorescence quenching process suggests that the formation of heteroaggregates from ICC and chlorophyll is responsible for the rapid energy transfer. (author)

  5. Investigation on dynamical interaction between a heavy vehicle and road pavement

    Science.gov (United States)

    Yang, Shaopu; Li, Shaohua; Lu, Yongjie

    2010-08-01

    This paper presents a model for three-dimensional, heavy vehicle-pavement-foundation coupled system, which is modelled as a seven-DOF vehicle moving along a simply supported double-layer rectangular thin plate on a linear viscoelastic foundation. The vertical tyre force is described by a single point-contact model, while the pavement-foundation is modelled as a double-layer plate on a linear viscoelastic foundation. Using the Galerkin method and quick direct integral method, the dynamical behaviour of the vehicle-pavement-foundation coupled system is investigated numerically and compared with that of traditional vehicle system and pavement system. The effects of coupling action on vehicle body vertical acceleration, suspension deformations, tyre forces and pavement displacements are also obtained. The investigation shows that the coupling action could not be neglected even on a smooth road surface, such as highway. Thus, it is necessary to investigate the dynamics of vehicle and pavement simultaneously based on the vehicle-pavement-foundation coupled system.

  6. Investigation of plasma–surface interaction effects on pulsed electrostatic manipulation for reentry blackout alleviation

    International Nuclear Information System (INIS)

    Krishnamoorthy, S; Close, S

    2017-01-01

    The reentry blackout phenomenon affects most spacecraft entering a dense planetary atmosphere from space, due to the presence of a plasma layer that surrounds the spacecraft. This plasma layer is created by ionization of ambient air due to shock and frictional heating, and in some cases is further enhanced due to contamination by ablation products. This layer causes a strong attenuation of incoming and outgoing electromagnetic waves including those used for command and control, communication and telemetry over a period referred to as the ‘blackout period’. The blackout period may last up to several minutes and is a major contributor to the landing error ellipse at best, and a serious safety hazard in the worst case, especially in the context of human spaceflight. In this work, we present a possible method for alleviation of reentry blackout using electronegative DC pulses applied from insulated electrodes on the reentry vehicle’s surface. We study the reentry plasma’s interaction with a DC pulse using a particle-in-cell (PIC) model. Detailed models of plasma–insulator interaction are included in our simulations. The absorption and scattering of ions and electrons at the plasma–dielectric interface are taken into account. Secondary emission from the insulating surface is also considered, and its implications on various design issues is studied. Furthermore, we explore the effect of changing the applied voltage and the impact of surface physics on the creation and stabilization of communication windows. The primary aim of this analysis is to examine the possibility of restoring L- and S-band communication from the spacecraft to a ground station. Our results provide insight into the effect of key design variables on the response of the plasma to the applied voltage pulse. Simulations show the creation of pockets where electron density in the plasma layer is reduced three orders of magnitude or more in the vicinity of the electrodes. These pockets extend to

  7. Investigation of the Interaction Between Human Serum Albumin and Two Drugs as Binary and Ternary Systems.

    Science.gov (United States)

    Abdollahpour, Nooshin; Soheili, Vahid; Saberi, Mohammad Reza; Chamani, Jamshidkhan

    2016-12-01

    Human serum albumin (HSA) is the most frequent protein in blood plasma. Albumin transports various compounds, preserves osmotic pressure, and buffers pH. A unique feature of albumin is its ability to bind drugs and other bioactive molecules. However, it is important to consider binary and ternary systems of two pharmaceuticals to estimate the effect of the first drug on the second one and physicochemical properties. Different techniques including time-resolved, second-derivative and anisotropy fluorescence spectroscopy, resonance light scattering (RLS), critical induced aggregation concentration (C CIAC ), particle size, zeta potential and stability analysis were employed in this assessment to elucidate the binding behavior of Amlodipine and Aspirin to HSA. Moreover, isothermal titration calorimetric techniques were performed and the QSAR properties were applied to analyze the hydration energy and log P. Multiple sequence alignments were also used to predict the structure and biological characteristics of the HSA binding site. Time-resolved fluorescence spectroscopy showed interaction of both drugs to HSA based on a static quenching mechanism. Subsequently, second-derivative fluorescence spectroscopy presented different values of parameter H in binary and ternary systems, which were suggested that tryptophan was in a more polar environment in the ternary system than in a binary system. Moreover, the polydispersity index and results from mean number measurements revealed that the presence of the second drug caused a decrease in the stability of systems and increased the heterogeneity of complex. It is also, observed that the gradual addition of HSA has led to a marked increase in fluorescence anisotropy (r) of Amlodipine and Aspirin which can be suggested that the drugs were located in a restricted environment of the protein as confirmed by Red Edge Excitation Shift (REES) studies. The isothermal titration calorimetric technique demonstrated that the interaction of

  8. Different Approaches to investigate the interfacial interactions between Natural Organic Matter and Metal Oxide

    KAUST Repository

    Zaouri, Noor A.

    2017-12-01

    A variety of approaches were conducted to obtain a comprehensive understanding of the adsorption of Natural Organic Matter (NOM) isolates on metal oxides (MeO). Adsorption experiments with a series of small molecular weight (MW), oxygenated, aromatic organic acids were performed with Aluminum oxide (Al2O3), Titanium oxide (TiO2), and Zirconium oxide (ZrO2) surface. The experiments were conducted in batch mode at pH 4.2 and 7.6. The adsorption of simple organic acids was described by Langmuir model, and exhibited strong dependence on the relative abundance of carboxyl group, aliphaticity/aromaticity, length of alkyl chain, and the presence of hydroxyl group. The adsorption of the model compounds was high at low pH and decreased with increasing the pH. Isolated NOM fraction of strong humic character, i.e., hydrophobic (HPO) (high in MW, aromaticity, and acidity), i.e., Suwannee River fulvic acid (SRW HPO), showed strong adsorption on all MeO. However, fractions with similar acidic character, and lower MW exerted weak adsorption. NOM fraction that incorporated polysaccharides and proteins like structures (i.e., biopolymers) was not significantly adsorbed compared to HPO fractions. Interestingly, biopolymer adsorption on Heated Aluminum oxide particles (HAOP) was higher than that on Al2O3, TiO2, and ZrO2. These different adsorption profiles were related to their physicochemical characteristics of NOM and MeO, and thus, showed different interacting mechanisms and were studied by Atomic Force Microscopy (AFM). Hydrogen bonding was suggested as the main mechanism between NOM of strong hydrophilic character (i.e., biopolymers) and Al2O3, TiO2 and ZrO2 coated wafers. The strength of the hydrogen bonding was influenced by the hydrophilicity degree of MeO surface, ionic strength, and cation type. NOM fractions with strong humic character showed repulsive forces that are electrostatic in nature with MeO of high negative charge density. Hydrogen bonding and ligand exchange

  9. Numerical tool development of fluid-structure interactions for investigation of obstructive sleep apnea

    Science.gov (United States)

    Huang, Chien-Jung; White, Susan; Huang, Shao-Ching; Mallya, Sanjay; Eldredge, Jeff

    2016-11-01

    Obstructive sleep apnea (OSA) is a medical condition characterized by repetitive partial or complete occlusion of the airway during sleep. The soft tissues in the upper airway of OSA patients are prone to collapse under the low pressure loads incurred during breathing. The ultimate goal of this research is the development of a versatile numerical tool for simulation of air-tissue interactions in the patient specific upper airway geometry. This tool is expected to capture several phenomena, including flow-induced vibration (snoring) and large deformations during airway collapse of the complex airway geometry in respiratory flow conditions. Here, we present our ongoing progress toward this goal. To avoid mesh regeneration, for flow model, a sharp-interface embedded boundary method is used on Cartesian grids for resolving the fluid-structure interface, while for the structural model, a cut-cell finite element method is used. Also, to properly resolve large displacements, non-linear elasticity model is used. The fluid and structure solvers are connected with the strongly coupled iterative algorithm. The parallel computation is achieved with the numerical library PETSc. Some two- and three- dimensional preliminary results are shown to demonstrate the ability of this tool.

  10. Application of Biologically Based Lumping To Investigate the Toxicokinetic Interactions of a Complex Gasoline Mixture.

    Science.gov (United States)

    Jasper, Micah N; Martin, Sheppard A; Oshiro, Wendy M; Ford, Jermaine; Bushnell, Philip J; El-Masri, Hisham

    2016-03-15

    People are often exposed to complex mixtures of environmental chemicals such as gasoline, tobacco smoke, water contaminants, or food additives. We developed an approach that applies chemical lumping methods to complex mixtures, in this case gasoline, based on biologically relevant parameters used in physiologically based pharmacokinetic (PBPK) modeling. Inhalation exposures were performed with rats to evaluate the performance of our PBPK model and chemical lumping method. There were 109 chemicals identified and quantified in the vapor in the chamber. The time-course toxicokinetic profiles of 10 target chemicals were also determined from blood samples collected during and following the in vivo experiments. A general PBPK model was used to compare the experimental data to the simulated values of blood concentration for 10 target chemicals with various numbers of lumps, iteratively increasing from 0 to 99. Large reductions in simulation error were gained by incorporating enzymatic chemical interactions, in comparison to simulating the individual chemicals separately. The error was further reduced by lumping the 99 nontarget chemicals. The same biologically based lumping approach can be used to simplify any complex mixture with tens, hundreds, or thousands of constituents.

  11. Investigation of lanthanum- and neodymium ion interaction with potassium polyphosphate in aqueous solution

    International Nuclear Information System (INIS)

    Ezhova, Zh.A.; Tananaev, I.V.; Koval', E.M.

    1983-01-01

    A study was made on the interaction in the LaCl 3 -KPO 3 -H 2 O and NdCl 3 -KPO 3 -H 2 O systems at 0 deg C by methods of solubility of residual concentrations and measurement of the pH value. The formation of binary KLa 2 (PO 3 ) 7 x10H 2 O and KLa(PO 3 ) 4 X5H 2 O lanthanum- and potassium polyphosphates, as well as KNd 2 (PO 3 ) 7 X10H 2 O and KNd(PO 3 ) 4 X5H 2 O neodymium- apd potassiUm polyphasphates was established. Chemical, paper-chromatographic, infrared spectroscopic, X-ray diffraction and differential thermal analyses of the prepared compoUnds were conducted. Anhydrous binary lanthanum- and neodymium polyphosphates with potassium-=Kla(PO 3 ) 4 , KNd(PO 3 ) 4 , KLa 2 (PO 3 ) 7 and KNd 2 x(PO 3 ) 7 - eere prepared

  12. Investigation of the Cry4B-prohibitin interaction in Aedes aegypti cells.

    Science.gov (United States)

    Kuadkitkan, Atichat; Smith, Duncan R; Berry, Colin

    2012-10-01

    Bacillus thuringiensis (Bt) produces insecticidal toxins active against insects. Cry4B, one of the major insecticidal toxins produced by Bt subsp. israelensis, is highly toxic to mosquitoes in the genus Aedes: the major vectors of dengue, yellow fever, and chikungunya. Previous work has shown that Cry4B binds to several mid-gut membrane proteins in Aedes aegypti larvae including prohibitin, a protein recently identified as a receptor that also mediates entry of dengue virus into Aedes cells. This study confirms the interaction between Cry4B and prohibitin by co-immunoprecipitation analysis and demonstrates colocalization of prohibitin and Cry4B by confocal microscopy. While activated Cry4B toxin showed high larvicidal activity, it was not cytotoxic to two Aedes cell lines, allowing determination of its effect on dengue virus infectivity in the absence of Cry4B-induced cell lysis. Pre-exposure of Aedes cells to Cry4B resulted in a significant reduction in the number of infected cells compared to untreated cells.

  13. Theoretical investigation on the interaction between beryllium, magnesium and calcium with benzene, coronene, cirumcoronene and graphene

    Energy Technology Data Exchange (ETDEWEB)

    Denis, Pablo A., E-mail: pablod@fq.edu.uy; Iribarne, Federico

    2014-02-17

    Graphical abstract: - Highlights: • The binding energies between benzene and Be, Mg and Ca are 1.8, 2.3 and 3.2 kcal/mol. • The alkaline earth complexes with benzene favor the non ionic configuration. • For these complexes charge transfer does not take place. • The performance of the DFT functionals assayed was poor. - Abstract: The interaction energies (IE) between benzene and beryllium, magnesium and calcium were calculated at the CCSD(T)/CBS level and including corrections for core-valence and relativistic effects. The IE are 1.8, 2.3 and 3.2 kcal/mol for Be, Mg and Ca, respectively, In contrast with our previous findings for the benzene–Li complex, we found that the non-ionic structure is more stable than the ionic configuration. Thus, charge-transfer from alkaline earths to benzene would not take place. The performance of MP2 and DFT functionals is poor. At the complete basis set limit, M06-2X, M06-L, B97D and MP2 exhibited similar MAD (∼ 0.7–0.8 kcal/mol). When larger aromatic models were considered, the IE were similar to those computed for benzene. Finally, taking into account the drawbacks of the DFT functionals, the computed IE for the non-ionic adsorption of Be, Mg and Ca onto graphene, are tentatively estimated as 2.1, 2.7 and 2.9 kcal/mol, respectively.

  14. PerturbationAnalyzer: a tool for investigating the effects of concentration perturbation on protein interaction networks.

    Science.gov (United States)

    Li, Fei; Li, Peng; Xu, Wenjian; Peng, Yuxing; Bo, Xiaochen; Wang, Shengqi

    2010-01-15

    The propagation of perturbations in protein concentration through a protein interaction network (PIN) can shed light on network dynamics and function. In order to facilitate this type of study, PerturbationAnalyzer, which is an open source plugin for Cytoscape, has been developed. PerturbationAnalyzer can be used in manual mode for simulating user-defined perturbations, as well as in batch mode for evaluating network robustness and identifying significant proteins that cause large propagation effects in the PINs when their concentrations are perturbed. Results from PerturbationAnalyzer can be represented in an intuitive and customizable way and can also be exported for further exploration. PerturbationAnalyzer has great potential in mining the design principles of protein networks, and may be a useful tool for identifying drug targets. PerturbationAnalyzer can be accessed from the Cytoscape web site http://www.cytoscape.org/plugins/index.php or http://biotech.bmi.ac.cn/PerturbationAnalyzer. Supplementary data are available at Bioinformatics online.

  15. Investigating the Association between Flowering Time and Defense in the Arabidopsis thaliana-Fusarium oxysporum Interaction

    Science.gov (United States)

    Lyons, Rebecca; Rusu, Anca; Stiller, Jiri; Powell, Jonathan; Manners, John M.; Kazan, Kemal

    2015-01-01

    Plants respond to pathogens either by investing more resources into immunity which is costly to development, or by accelerating reproductive processes such as flowering time to ensure reproduction occurs before the plant succumbs to disease. In this study we explored the link between flowering time and pathogen defense using the interaction between Arabidopsis thaliana and the root infecting fungal pathogen Fusarium oxysporum. We report that F. oxysporum infection accelerates flowering time and regulates transcription of a number of floral integrator genes, including FLOWERING LOCUS C (FLC), FLOWERING LOCUS T (FT) and GIGANTEA (GI). Furthermore, we observed a positive correlation between late flowering and resistance to F. oxysporum in A. thaliana natural ecotypes. Late-flowering gi and autonomous pathway mutants also exhibited enhanced resistance to F. oxysporum, supporting the association between flowering time and defense. However, epistasis analysis showed that accelerating flowering time by deletion of FLC in fve-3 or fpa-7 mutants did not alter disease resistance, suggesting that the effect of autonomous pathway on disease resistance occurs independently from flowering time. Indeed, RNA-seq analyses suggest that fve-3 mediated resistance to F. oxysporum is most likely a result of altered defense-associated gene transcription. Together, our results indicate that the association between flowering time and pathogen defense is complex and can involve both pleiotropic and direct effects. PMID:26034991

  16. Numerical Investigation of Pulse Wave Propagation in Arteries Using Fluid Structure Interaction Capabilities

    Directory of Open Access Journals (Sweden)

    Hisham Elkenani

    2017-01-01

    Full Text Available The aim of this study is to present a reliable computational scheme to serve in pulse wave velocity (PWV assessment in large arteries. Clinicians considered it as an indication of human blood vessels’ stiffness. The simulation of PWV was conducted using a 3D elastic tube representing an artery. The constitutive material model specific for vascular applications was applied to the tube material. The fluid was defined with an equation of state representing the blood material. The onset of a velocity pulse was applied at the tube inlet to produce wave propagation. The Coupled Eulerian-Lagrangian (CEL modeling technique with fluid structure interaction (FSI was implemented. The scaling of sound speed and its effect on results and computing time is discussed and concluded that a value of 60 m/s was suitable for simulating vascular biomechanical problems. Two methods were used: foot-to-foot measurement of velocity waveforms and slope of the regression line of the wall radial deflection wave peaks throughout a contour plot. Both methods showed coincident results. Results were approximately 6% less than those calculated from the Moens-Korteweg equation. The proposed method was able to describe the increase in the stiffness of the walls of large human arteries via the PWV estimates.

  17. Neutron Reflectometry Investigations of the Interaction of DNA-PAMAM Dendrimers with Model Biological Membranes

    International Nuclear Information System (INIS)

    Ainalem, M.L.; Rennie, A.R.; Campbell, Richard; Edler, Karen; Nylander, Tommy

    2009-01-01

    The systemic delivery of DNA for gene therapy requires control of DNA compaction by an agent, such a lipid, surfactant or a polymer (e.g. cationic dendrimers) as well as understanding of how this complex interacts with a biological membrane. Poly (amido amine) (PAMAM) dendrimers have been reported to be a promising synthetic gene-transfection agent. We have studied the structure of the complexes formed between DNA and PAMAM dendrimers with SANS, dynamic light scattering and cryo-TEM. Here we noted that the structure of the complex formed strongly depends on the generation of the dendrimer. The results of the adsorption of generation 2 (G2) and 4 (G4) PAMAM dendrimers to surface deposited bilayers, consisting of palmitoyl oleoyl phosphatidyl choline on silicon surface, have been studied using neutron reflectometry (NR). The NR data shows that the dendrimers are able to penetrate the bilayer. However, the complex is less able to penetrate the bilayer, but rather stays on the top of the bilayer. The dendrimers appear slightly flattened on the surface in comparison with their size in bulk as determined by light scattering. We will also report on the interfacial behavior of the DNA-PAMAM complexes at other types of studies of interfaces, important for biomedical applications, where NR has allowed us to determine the layer structure and composition. (author)

  18. Investigating host-pathogen behavior and their interaction using genome-scale metabolic network models.

    Science.gov (United States)

    Sadhukhan, Priyanka P; Raghunathan, Anu

    2014-01-01

    Genome Scale Metabolic Modeling methods represent one way to compute whole cell function starting from the genome sequence of an organism and contribute towards understanding and predicting the genotype-phenotype relationship. About 80 models spanning all the kingdoms of life from archaea to eukaryotes have been built till date and used to interrogate cell phenotype under varying conditions. These models have been used to not only understand the flux distribution in evolutionary conserved pathways like glycolysis and the Krebs cycle but also in applications ranging from value added product formation in Escherichia coli to predicting inborn errors of Homo sapiens metabolism. This chapter describes a protocol that delineates the process of genome scale metabolic modeling for analysing host-pathogen behavior and interaction using flux balance analysis (FBA). The steps discussed in the process include (1) reconstruction of a metabolic network from the genome sequence, (2) its representation in a precise mathematical framework, (3) its translation to a model, and (4) the analysis using linear algebra and optimization. The methods for biological interpretations of computed cell phenotypes in the context of individual host and pathogen models and their integration are also discussed.

  19. Investigations on interactions between the flowing liquid lithium limiter and plasmas

    International Nuclear Information System (INIS)

    Ren, J.; Zuo, G.Z.; Hu, J.S.; Sun, Z.; Li, J.G.; Zakharov, L.E.; Ruzic, D.N.; Xu, W.Y.

    2016-01-01

    Two different designs of flowing liquid lithium limiter were first tested for power exhaust and particle removal in HT-7 in 2012 autumn campaign. During the experiments, the reliability and compatibility of the limiters within Tokamak were experimentally demonstrated, and some positive results were achieved. It was found that the flowing liquid lithium limiter was effective for suppressing H concentration and led to a low ratio of H/(H + D). O impurity was slightly decreased by using limiters as well as when using a Li coating. A significant increase of the wall retention ratio was also observed which resulted from the outstanding D particles pumping ability of flowing liquid lithium limiters. The strong interaction between plasma and lithium surface could cause lithium ejection into plasma and lead to disruptions. The stable plasmas produced by uniform Li flow were in favor of lithium control. While the limiters were applied with a uniform Li flow, the normal plasma was easy to be obtained, and the energy confinement time increased from ∼0.025 s to 0.04 s. Furthermore, it was encouraging to note that the application of flowing liquid lithium limiters could further improve the confinement of plasma by ∼10% on the basis of Li coating. These remarkable results will help for the following design of flowing liquid lithium limiter in EAST to improve the plasma operation.

  20. Nonlinear mixed effects modelling approach in investigating phenobarbital pharmacokinetic interactions in epileptic patients.

    Science.gov (United States)

    Vučićević, Katarina; Jovanović, Marija; Golubović, Bojana; Kovačević, Sandra Vezmar; Miljković, Branislava; Martinović, Žarko; Prostran, Milica

    2015-02-01

    The present study aimed to establish population pharmacokinetic model for phenobarbital (PB), examining and quantifying the magnitude of PB interactions with other antiepileptic drugs concomitantly used and to demonstrate its use for individualization of PB dosing regimen in adult epileptic patients. In total 205 PB concentrations were obtained during routine clinical monitoring of 136 adult epilepsy patients. PB steady state concentrations were measured by homogeneous enzyme immunoassay. Nonlinear mixed effects modelling (NONMEM) was applied for data analyses and evaluation of the final model. According to the final population model, significant determinant of apparent PB clearance (CL/F) was daily dose of concomitantly given valproic acid (VPA). Typical value of PB CL/F for final model was estimated at 0.314 l/h. Based on the final model, co-therapy with usual VPA dose of 1000 mg/day, resulted in PB CL/F average decrease of about 25 %, while 2000 mg/day leads to an average 50 % decrease in PB CL/F. Developed population PB model may be used in estimating individual CL/F for adult epileptic patients and could be applied for individualizing dosing regimen taking into account dose-dependent effect of concomitantly given VPA.

  1. Investigation of molybdenum pentachloride interaction with chlorine. Issledovanie vzaimodejstviya pentakhlorida molibdena s khlorom

    Energy Technology Data Exchange (ETDEWEB)

    Salyulev, A B; Vovkotrub, Eh G; Strekalovskij, V N

    1993-01-01

    In Raman spectra of molybdenum pentachloride solutions in liquid chlorine lines were recorded in case of 397, 312, 410, 217 and 180 cm[sup -]1 vibrations of [nu][sub 1](A[sub 1]'), [nu][sub 2](A[sub 1]'), [nu][sub 5](E'), [nu][sub 6](E') and [nu][sub 8](E'') monomer (symmetry D[sub 3h]) molecules of MoCl[sub 5]. Interaction of molten molybdenum pentachloride with chlorine at increased (up to 6 MPa) pressures of Cl[sub 2] was studied. In Raman spectra of its vapour distillation in liquid chlorine alongside with MoCl[sub 5] lines appearance of new lines at 363 and 272 cm[sup -1], similar in their frequency to the ones calculated for the vibrations [nu][sub 1](A[sub 1g]) and [nu][sub 2](E[sub g]) of MoCl[sub 6] molecules (symmetry O[sub h]), was observed.

  2. Fundamental investigation of point defect interactions in FE-CR alloys

    International Nuclear Information System (INIS)

    Wirth, B.D.; Lee, H.J.; Wong, K.

    2008-01-01

    Full text of publication follows. Fe-Cr alloys are a leading candidate material for structural applications in Generation TV and fusion reactors, and there is a relatively large database on their irradiation performance. However, complete understanding of the response of Fe-Cr alloys to intermediate-to-high temperature irradiation, including the radiation induced segregation of Cr, requires knowledge of point defect and point defect cluster interactions with Cr solute atoms and impurities. We present results from a hierarchical multi-scale modelling approach of defect cluster behaviour in Fe-Cr alloys. The modelling includes ab initio electronic structure calculations performed using the VASP code with projector-augmented electron wave functions using PBE pseudo-potentials and a collinear treatment of magnetic spins, molecular dynamics using semi-empirical Finnic-Sinclair type potentials, and kinetic Monte Carlo simulations of coupled defect and Cr transport responsible for microstructural evolution. The modelling results are compared to experimental observations in both binary Fe-Cr and more complex ferritic-martensitic alloys, and provide a basis for understanding a dislocation loop evolution and the observations of Cr enrichment and depletion at grain boundaries in various irradiation experiments. (authors)

  3. MDM2-MDM4 molecular interaction investigated by atomic force spectroscopy and surface plasmon resonance.

    Science.gov (United States)

    Moscetti, Ilaria; Teveroni, Emanuela; Moretti, Fabiola; Bizzarri, Anna Rita; Cannistraro, Salvatore

    Murine double minute 2 (MDM2) and 4 (MDM4) are known as the main negative regulators of p53, a tumor suppressor. They are able to form heterodimers that are much more effective in the downregulation of p53. Therefore, the MDM2-MDM4 complex could be a target for promising therapeutic restoration of p53 function. To this aim, a deeper understanding of the molecular mechanisms underlining the heterodimerization is needed. The kinetic and thermodynamic characterization of the MDM2-MDM4 complex was performed with two complementary approaches: atomic force spectroscopy and surface plasmon resonance. Both techniques revealed an equilibrium dissociation constant (KD ) in the micromolar range for the MDM2-MDM4 heterodimer, similar to related complexes involved in the p53 network. Furthermore, the MDM2-MDM4 complex is characterized by a relatively high free energy, through a single energy barrier, and by a lifetime in the order of tens of seconds. New insights into the MDM2-MDM4 interaction could be highly important for developing innovative anticancer drugs focused on p53 reactivation.

  4. Investigation of the interaction of chrome compounds with blue-green microalgae Spirulina platensis

    International Nuclear Information System (INIS)

    Mosulishvili, L.M.; Belokobyl'skij, A.I.; Kirkesali, E.I.; Frontas'eva, M.V.; Pavlov, S.S.; Aksenova, N.G.

    2002-01-01

    The interaction of CrIII with the cells of blue-green microalgae Spirulina platensis in course of cultivation in a nutrient medium loaded with corresponding chrome compounds is studied. It is shown that the rate of absorption of CrVI ions by spirulina biomass from the nutrient medium is approximately two orders of magnitude lower as compared to that of CrIII ions. At the same time the presence of CrVI in a nutrient medium is accompanied by a significant decrease in the cell growth rate and by deteriorating the quality of spirulina biomass. It is established that at endogenous insertion of CrIII into the biocomplex of spirulina no change in the valence state of chromium in the nutrient medium is observed and the natural properties of the biomass do not change. On the basis of the obtained concentration dependences, the recommended doses of CrIII in the preparation 'Cr-Spirulina' within the ranges of 30-100 μg/g as a food addition, and 200-250 μg/g for a medical preventive treatment are determined. (author)

  5. Doping Properties of Ferromagnetic Semiconductors Investigated by the Hyperfine Interaction of Implanted Radioisotopes

    CERN Multimedia

    2002-01-01

    One of the most promising prospective applications of semiconductors will be in the field of spinelectronics. Thereby polarized spins must be injected into semiconductor structures. Ferromagnetic semiconductors (FMS) have a potential for such applications because of the coexistence of semiconducting and ferromagnetic properties. A special group of such FMS are the chromium chalcogenides of type AB$_{2}$C$_{4}$ with B = Cr. They crystallise in the structure of normal spinel. In this Proposal the application of the perturbed angular correlation technique (= PAC) for the investigation of nuclear probes in these substances is described. The radioactive probes will be implanted at the ISOLDE separator. We will start these investigations with the substances CdCr$_{2}$Se$_{4}$, CdCr$_{2}$S$_{4}$, HgCr$_{2}$Se$_{4}$, CuCr$_{2}$Se$_{4}$ and CuCr$_{2}$S$_{4}$ which are ferromagnetic with Curie temperatures between 84.5 and 460 K. In addition to the popular $^{111}$In($^{111}$Cd), which we get from other facilities, we ...

  6. Investigating Public Facility Characteristics from a Spatial Interaction Perspective: A Case Study of Beijing Hospitals Using Taxi Data

    Directory of Open Access Journals (Sweden)

    Xiaoqing Kong

    2017-02-01

    Full Text Available Services provided by public facilities are essential to people’s lives and are closely associated with human mobility. Traditionally, public facility access characteristics, such as accessibility, equity issues and service areas, are investigated mainly based on static data (census data, travel surveys and particular records, such as medical records. Currently, the advent of big data offers an unprecedented opportunity to obtain large-scale human mobility data, which can be used to study the characteristics of public facilities from the spatial interaction perspective. Intuitively, spatial interaction characteristics and service areas of different types and sizes of public facilities are different, but how different remains an open question, so we, in turn, examine this question. Based on spatial interaction, we classify public facilities and explore the differences in facilities. In the research, based on spatial interaction extracted from taxi data, we introduce an unsupervised classification method to classify 78 hospitals in 6 districts of Beijing, and the results better reflect the type of hospital. The findings are of great significance for optimizing the spatial configuration of medical facilities or other types of public facilities, allocating public resources reasonably and relieving traffic pressure.

  7. An investigation of the influence of extracellular matrix anisotropy and cell–matrix interactions on tissue architecture

    KAUST Repository

    Dyson, R. J.

    2015-09-02

    © 2015 Springer-Verlag Berlin Heidelberg Mechanical interactions between cells and the fibrous extracellular matrix (ECM) in which they reside play a key role in tissue development. Mechanical cues from the environment (such as stress, strain and fibre orientation) regulate a range of cell behaviours, including proliferation, differentiation and motility. In turn, the ECM structure is affected by cells exerting forces on the matrix which result in deformation and fibre realignment. In this paper we develop a mathematical model to investigate this mechanical feedback between cells and the ECM. We consider a three-phase mixture of collagen, culture medium and cells, and formulate a system of partial differential equations which represents conservation of mass and momentum for each phase. This modelling framework takes into account the anisotropic mechanical properties of the collagen gel arising from its fibrous microstructure. We also propose a cell–collagen interaction force which depends upon fibre orientation and collagen density. We use a combination of numerical and analytical techniques to study the influence of cell–ECM interactions on pattern formation in tissues. Our results illustrate the wide range of structures which may be formed, and how those that emerge depend upon the importance of cell–ECM interactions.

  8. Investigation of the interaction of carbon dioxide fluid with internal and external single-wall carbon nanotubes by DFT

    Directory of Open Access Journals (Sweden)

    M. Oftadeh

    2011-07-01

    Full Text Available The effective parameters of (5, 0 and (5, 5 single-wall carbon nanotubes during the interaction with carbon dioxide as sensors are determined. The interaction of carbon dioxide  molecules with internal and external walls of the nanotubes is studied using Gaussian 03 coding by density functional theory (DFT at the B3LYP/6-311G level of theory. CO2 rotation around tube axles vertically and parallel to the internal and external walls has been investigated. The carbon dioxide molecule is predicted to bind only weakly to nanotubes, and the tube-molecule interactions can be identified as physisorption. CO2 adsorption is stronger on external wallsthan on internal walls, and adsorption on the external wall of (5, 0 is stronger than on the external wall of (5, 5; the adsorption energies are exothermic and equal to -0.8884 and -0.0528 kcal/mol, respectively. The rotation energy barrier for (5, 5 is lower than that for (5, 0 in all rotations, therefore in these interactions (5, 5 is more active. The energy gap significantly changes in the presence of  carbon  dioxide molecules on the inside surface of (5, 0 and the electric conductivity is affected, but no remarkable change is observed in the electronic structure of (5, 5.

  9. Empirical investigations into full-text protein interaction Article Categorization Task (ACT) in the BioCreative II.5 Challenge.

    Science.gov (United States)

    Lan, Man; Su, Jian

    2010-01-01

    The selection of protein interaction documents is one important application for biology research and has a direct impact on the quality of downstream BioNLP applications, i.e., information extraction and retrieval, summarization, QA, etc. The BioCreative II.5 Challenge Article Categorization task (ACT) involves doing a binary text classification to determine whether a given structured full-text article contains protein interaction information. This may be the first attempt at classification of full-text protein interaction documents in wide community. In this paper, we compare and evaluate the effectiveness of different section types in full-text articles for text classification. Moreover, in practice, the less number of true-positive samples results in unstable performance and unreliable classifier trained on it. Previous research on learning with skewed class distributions has altered the class distribution using oversampling and downsampling. We also investigate the skewed protein interaction classification and analyze the effect of various issues related to the choice of external sources, oversampling training sets, classifiers, etc. We report on the various factors above to show that 1) a full-text biomedical article contains a wealth of scientific information important to users that may not be completely represented by abstracts and/or keywords, which improves the accuracy performance of classification and 2) reinforcing true-positive samples significantly increases the accuracy and stability performance of classification.

  10. Investigation of the Interaction between Patulin and Human Serum Albumin by a Spectroscopic Method, Atomic Force Microscopy, and Molecular Modeling

    Directory of Open Access Journals (Sweden)

    Li Yuqin

    2014-01-01

    Full Text Available The interaction of patulin with human serum albumin (HSA was studied in vitro under normal physiological conditions. The study was performed using fluorescence, ultraviolet-visible spectroscopy (UV-Vis, circular dichroism (CD, atomic force microscopy (AFM, and molecular modeling techniques. The quenching mechanism was investigated using the association constants, the number of binding sites, and basic thermodynamic parameters. A dynamic quenching mechanism occurred between HSA and patulin, and the binding constants (K were 2.60 × 104, 4.59 × 104, and 7.01 × 104 M−1 at 288, 300, and 310 K, respectively. Based on fluorescence resonance energy transfer, the distance between the HSA and patulin was determined to be 2.847 nm. The ΔG0, ΔH0, and ΔS0 values across various temperatures indicated that hydrophobic interaction was the predominant binding force. The UV-Vis and CD results confirmed that the secondary structure of HSA was altered in the presence of patulin. The AFM results revealed that the individual HSA molecule dimensions were larger after interaction with patulin. In addition, molecular modeling showed that the patulin-HSA complex was stabilized by hydrophobic and hydrogen bond forces. The study results suggested that a weak intermolecular interaction occurred between patulin and HSA. Overall, the results are potentially useful for elucidating the toxigenicity of patulin when it is combined with the biomolecular function effect, transmembrane transport, toxicological, testing and other experiments.

  11. An investigation of the influence of extracellular matrix anisotropy and cell–matrix interactions on tissue architecture

    KAUST Repository

    Dyson, R. J.; Green, J. E. F.; Whiteley, J. P.; Byrne, H. M.

    2015-01-01

    © 2015 Springer-Verlag Berlin Heidelberg Mechanical interactions between cells and the fibrous extracellular matrix (ECM) in which they reside play a key role in tissue development. Mechanical cues from the environment (such as stress, strain and fibre orientation) regulate a range of cell behaviours, including proliferation, differentiation and motility. In turn, the ECM structure is affected by cells exerting forces on the matrix which result in deformation and fibre realignment. In this paper we develop a mathematical model to investigate this mechanical feedback between cells and the ECM. We consider a three-phase mixture of collagen, culture medium and cells, and formulate a system of partial differential equations which represents conservation of mass and momentum for each phase. This modelling framework takes into account the anisotropic mechanical properties of the collagen gel arising from its fibrous microstructure. We also propose a cell–collagen interaction force which depends upon fibre orientation and collagen density. We use a combination of numerical and analytical techniques to study the influence of cell–ECM interactions on pattern formation in tissues. Our results illustrate the wide range of structures which may be formed, and how those that emerge depend upon the importance of cell–ECM interactions.

  12. Numerical Investigation of Multiple-, Interacting-Scale Variable-Density Ground Water Flow Systems

    Science.gov (United States)

    Cosler, D.; Ibaraki, M.

    2004-12-01

    The goal of our study is to elucidate the nonlinear processes that are important for multiple-, interacting-scale flow and solute transport in subsurface environments. In particular, we are focusing on the influence of small-scale instability development on variable-density ground water flow behavior in large-scale systems. Convective mixing caused by these instabilities may mix the fluids to a greater extent than would be the case with classical, Fickian dispersion. Most current numerical schemes for interpreting field-scale variable-density flow systems do not explicitly account for the complexities caused by small-scale instabilities and treat such processes as "lumped" Fickian dispersive mixing. Such approaches may greatly underestimate the mixing behavior and misrepresent the overall large-scale flow field dynamics. The specific objectives of our study are: (i) to develop an adaptive (spatial and temporal scales) three-dimensional numerical model that is fully capable of simulating field-scale variable-density flow systems with fine resolution (~1 cm); and (ii) to evaluate the importance of scale-dependent process interactions by performing a series of simulations on different problem scales ranging from laboratory experiments to field settings, including an aquifer storage and freshwater recovery (ASR) system similar to those planned for the Florida Everglades and in-situ contaminant remediation systems. We are examining (1) methods to create instabilities in field-scale systems, (2) porous media heterogeneity effects, and (3) the relation between heterogeneity characteristics (e.g., permeability variance and correlation length scales) and the mixing scales that develop for varying degrees of unstable stratification. Applications of our work include the design of new water supply and conservation measures (e.g., ASR systems), assessment of saltwater intrusion problems in coastal aquifers, and the design of in-situ remediation systems for aquifer restoration

  13. Response surface methodology investigation into the interactions between arsenic and humic acid in water during the coagulation process.

    Science.gov (United States)

    Watson, Malcolm Alexander; Tubić, Aleksandra; Agbaba, Jasmina; Nikić, Jasmina; Maletić, Snežana; Molnar Jazić, Jelena; Dalmacija, Božo

    2016-07-15

    Interactions between arsenic and natural organic matter (NOM) are key limiting factors during the optimisation of drinking water treatment when significant amounts of both must be removed. This work uses Response Surface Methodology (RSM) to investigate how they interact during their simultaneous removal by iron chloride coagulation, using humic acid (HA) as a model NOM substance. Using a three factor Box-Behnken experimental design, As and HA removals were modelled, as well as a combined removal response. ANOVA results showed the significance of the coagulant dose for all three responses. At high initial arsenic concentrations (200μg/l), As removal was significantly hindered by the presence of HA. In contrast, the HA removal response was found to be largely independent of the initial As concentration, with the optimum coagulant dose increasing at increasing HA concentrations. The combined response was similar to the HA removal response, and the interactions evident are most interesting in terms of optimising treatment processes during the preparation of drinking water, highlighting the importance of utilizing RSM for such investigations. The combined response model was successfully validated with two different groundwaters used for drinking water supply in the Republic of Serbia, showing excellent agreement under similar experimental conditions. Copyright © 2016 Elsevier B.V. All rights reserved.

  14. Neutron spectroscopic investigations on crystalline-electric-field and exchange interactions on high-Tc superconductors

    International Nuclear Information System (INIS)

    Staub, U.

    1993-05-01

    It is well known that in the high temperature superconductors of the type RBa 2 Cu 3 O x (123), with R=Y and most of the rare earths, superconductivity is believed to be controlled by the density of mobile charges in the copper oxide (CuO 2 ) planes. In particular, the charge transfer process from the chains to the planes seems to play an important role. In the 123, RBa 2 Cu 4 O 8 (1248) and the Bi 2 Sr 2 Ca 1-x Ho x Cu 2 O 8+δ (Bi2212) systems, the R ions are sandwiched between the CuO 2 planes, thus the crystalline electric field (CEF) interaction at the R sites constitutes an ideal probe of the local symmetry and the charge distribution of the superconducting planes. The (2J+1)-fold degeneracy of the ground-state J-multiplet of the rare earth ions will be partially lifted under the action of the CEF potential. By means of inelastic neutron scattering experiments it is possible to observe directly the transitions between the CEF states. Therefrom we obtain useful information on both the structure and the charge distribution in the vicinity of the R ion. In order to quantify the charge transfer process from the chains to the planes, we performed a detailed analysis of the CEF of Ho 3+ in the 123, 1248 and Bi2212 systems. In addition, we present some experiments on a Cl doped 123 sample and some external pressure experiments on the 123 system. In nearly all high-T c compounds RBa 2 Cu 3 O 7-δ superconductivity and magnetic ordering of the R ion sublattice coexist at low temperatures. In order to understand the interplay of magnetism and superconductivity in these systems, information on both the electronic ground state of the R 3+ ions and the coupling mechanisms between the R 3+ ions is highly desirable. (author) figs., tabs., 73 refs

  15. An investigation of the fluid-structure interaction of piston/cylinder interface

    Science.gov (United States)

    Pelosi, Matteo

    The piston/cylinder lubricating interface represents one of the most critical design elements of axial piston machines. Being a pure hydrodynamic bearing, the piston/cylinder interface fulfills simultaneously a bearing and sealing function under oscillating load conditions. Operating in an elastohydrodynamic lubrication regime, it also represents one of the main sources of power loss due to viscous friction and leakage flow. An accurate prediction of the time changing tribological interface characteristics in terms of fluid film thickness, dynamic pressure field, load carrying ability and energy dissipation is necessary to create more efficient interface designs. The aim of this work is to deepen the understanding of the main physical phenomena defining the piston/cylinder fluid film and to discover the impact of surface elastic deformations and heat transfer on the interface behavior. For this purpose, a unique fully coupled multi-body dynamics model has been developed to capture the complex fluid-structure interaction phenomena affecting the non-isothermal fluid film conditions. The model considers the squeeze film effect due to the piston micro-motion and the change in fluid film thickness due to the solid boundaries elastic deformations caused by the fluid film pressure and by the thermal strain. The model has been verified comparing the numerical results with measurements taken on special designed test pumps. The fluid film calculated dynamic pressure and temperature fields have been compared. Further validation has been accomplished comparing piston/cylinder axial viscous friction forces with measured data. The model has been used to study the piston/cylinder interface behavior of an existing axial piston unit operating at high load conditions. Numerical results are presented in this thesis.

  16. The Influence of Host Plant Extrafloral Nectaries on Multitrophic Interactions: An Experimental Investigation.

    Directory of Open Access Journals (Sweden)

    Suzanne Koptur

    Full Text Available A field experiment was conducted with outplantings of the native perennial shrub Senna mexicana var. chapmanii in a semi-natural area adjacent to native pine rockland habitat in southern Florida. The presence of ants and the availability of extrafloral nectar were manipulated in a stratified random design. Insect communities were monitored and recorded over a period of six months with a view to addressing three main questions. Do ants provide biotic defense against key herbivores on S. chapmanii? Is the presence of ants on S. chapmanii mediated by EFN? Finally, are there ecological costs associated with the presence of ants on S. chapmanii, such as a reduction in alternative predator or parasitoid numbers? Herbivores on S. chapmanii included immature stages of three pierid butterflies, and adult weevils. Eight species of ants were associated with the plants, and other predators included spiders, ladybugs, wasps, and hemipterans. Parasitic, haemolymph-sucking midges (Ceratopogonidae and parasitoid flies were also associated with the caterpillar herbivores, and possibly the extrafloral nectaries of the plants. The presence of ants did not appear to influence oviposition by butterflies, as numbers of lepidopterans of all developmental stages did not differ among treatments. Significantly more late instar caterpillars, however, were observed on plants with ants excluded, indicating that ants remove small caterpillars from plants. Substantially more alternative predators (spiders, ladybugs, and wasps were observed on plants with ants excluded. Rates of parasitization did not differ among the treatments, but there were substantially fewer caterpillars succumbing to virus among those collected from control plants. We provide a rare look at facultative ant-plant mutualisms in the context of the many other interactions with which they overlap. We conclude that ants provide some biotic defense against herbivores on S. chapmanii, and plants benefit overall

  17. A numerical investigation on the effects of slot geometry on shock boundary layer interaction

    Energy Technology Data Exchange (ETDEWEB)

    Bazazzadeh, M.; Menshadi, M. D.; Karbasizadeh, M. [Dept. of Mechanical and Aerospace Engineering, Malek Ashtar University of Technology, Esfahan (Turkmenistan)

    2017-01-15

    Slot is one of the features that control Shock wave-boundary layer interaction (SBLI), which is generally used to prevent strong interference from shockwaves to the boundary layer in supersonic flows. With this feature, the height of the triple point of λ shock significantly increases, and this increase causes a decline in shock power and pressure drop rate. In the current paper, the main focus is on the monitoring of the geometrical effect of slot as an influential parameter on the structure of the shock and flow characteristics by using numerical methods. Therefore, the averaged implicit Navier-Stokes equations and two equation standard k-ω turbulence models for the numerical simulation of the flow field have been used. Results indicate that the numerical results are fairly consistent with the experimental data. Because of the increase in the number of slots (n), and the leading leg of the λ shock is located within the slot, the height of the triple point increases. However, because of the increasing drops due to viscosity, the total pressure changes are negligible. In addition, with an increase in this parameter, changes in the static pressure caused by the leading leg of the shock have increased. By increasing the width of the slots, the height of the triple point has had an upward trend up to s = 8 mm and then had nearly constant values. In this mode, the static pressure changes resulting from the leading leg of the shock are negligible. For increasing the number or the width of slots, the re-expansion waves formed within the slot are removed because of the reduction in the severity of the changes in the boundary layer. To simulate and compare the results with the data obtained from the experimental tests, results from the Cambridge University's wind tunnel tests have been used.

  18. Theoretical and experimental investigation of drug-polymer interaction and miscibility and its impact on drug supersaturation in aqueous medium.

    Science.gov (United States)

    Baghel, Shrawan; Cathcart, Helen; O'Reilly, Niall J

    2016-10-01

    Amorphous solid dispersions (ASDs) have the potential to offer higher apparent solubility and bioavailability of BCS class II drugs. Knowledge of the solid state drug-polymer solubility/miscibility and their mutual interaction are fundamental requirements for the effective design and development of such systems. To this end, we have carried out a comprehensive investigation of various ASD systems of dipyridamole and cinnarizine in polyvinylpyrrolidone (PVP) and polyacrylic acid (PAA) at different drug loadings. Theoretical and experimental examinations (by implementing binary and ternary Flory-Huggins (F-H) theory) related to drug-polymer interaction/miscibility including solubility parameter approach, melting point depression method, phase diagram, drug-polymer interaction in the presence of moisture and the effect of drug loading on interaction parameter were performed. The information obtained from this study was used to predict the stability of ASDs at different drug loadings and under different thermal and moisture conditions. Thermal and moisture sorption analysis not only provided the composition-dependent interaction parameter but also predicted the composition dependent miscibility. DPM-PVP, DPM-PAA and CNZ-PAA systems have shown molecular level mixing over the complete range of drug loading. For CNZ-PVP, the presence of a single Tg at lower drug loadings (10, 20 and 35%w/w) indicates the formation of solid solution. However, drug recrystallization was observed for samples with higher drug weight fractions (50 and 65%w/w). Finally, the role of polymer in maintaining drug supersaturation has also been explored. It has been found that drug-polymer combinations capable of hydrogen-bonding in the solution state (DPM-PVP, DPM-PAA and CNZ-PAA) are more effective in preventing drug crystallization compared to the drug-polymer systems without such interaction (CNZ-PVP). The DPM-PAA system outperformed all other ASDs in various stability conditions (dry-state, in

  19. Experimental investigations of strong interaction in the non-perturbative QCD region

    International Nuclear Information System (INIS)

    Lindenbaum, S.J.; Samuel, S.

    1993-09-01

    A critical investigation of non-perturbative QCD require investigating glueballs, search for a Quark Gluon Plasma (OGP), and search for strangelets. In the glueball area the data obtained (E- 881) at 8 GeV/c were analyzed for π - + p → φφn (OZI forbidden), φK + K - n (OZI allowed), K - p → φφ(ΛΣ) (OZI allowed), and bar pp → φφ → φφπ 0 (OZI forbidden), φK + K - π 0 (OZI allowed). By comparing the OZI forbidden (glueball filter reactions) with the OZI allowed and previous 22 GeV/c π - p → φφn or φK + K - n data a further critical test of the so far unsuccessfully challenged hypothesis that our g T (2010), g T '(2300) and g T double-prime(2340) all with I G J PC = 0 + 2 ++ are produced by 1-3 2 ++ glueballs will be made. In the QGP search with a large-solid-angle TPC a good Ξ signal was observed. The ratio of Ξ to single strange quark particles such as λ is a better indication of strangeness enhancement in QGP formation. The data indicate enhancement by a factor ∼ 2 over cascade model (corrected to observed strangeness) predictions, but it is definitely far from conclusive at this stage since the result is model dependent. Double λ topologies of the type needed to discover light strangelets in the nanosecond lifetime region were found. In addition, research has been accomplished in three main areas: bosonic technicolor and strings, buckministerfullerene C 60 and neutrino oscillations in a dense neutrino gas

  20. Investigation of the Hydantoin Monomer and its Interaction with Water Molecules

    Science.gov (United States)

    Gruet, Sébastien; Perez, Cristobal; Schnell, Melanie

    2017-06-01

    Hydantoin (Imidazolidine-2,4-dione, C_3H_4N_2O_2) is a five-membered heterocyclic compound of astrobiological interest. This molecule has been detected in carbonaceous chondrites [1], and its formation can rise from the presence of glycolic acid and urea, two prebiotic molecules [2]. The hydrolysis of hydantoin under acidic conditions can also produce glycine [3], an amino acid actively searched for in the interstellar medium. Spectroscopic data of hydantoin is very limited and mostly dedicated to the solid phase. The high resolution study in gas phase is restricted to the work recently published by Ozeki et al. reporting the pure rotational spectra of the ground state and two vibrational states of the molecule in the millimeter-wave region (90-370 GHz)[4]. Using chirped-pulse Fourier-transform microwave (CP-FTMW) spectroscopy, we recorded the jet-cooled rotational spectra of hydantoin with water between 2 to 8 GHz. We observed the ground state of hydantoin monomer and several water complexes with one or two water molecules. All the observed species exhibit a hyperfine structure due to the two nitrogen atoms present in the molecule, which were fully resolved and analyzed. Additional experiments with a ^{18}O enriched water sample were realized to determine the oxygen-atom positions of the water monomers. These experiments yielded accurate structural information on the preferred water binding sites. The observed complexes and the interactions that hold them together, mainly strong directional hydrogen bonds, will be presented and discussed. [1] Shimoyama, A. and Ogasawara, R., Orig. Life Evol. Biosph., 32, 165-179, 2002. DOI:10.1023/A:1016015319112. [2] Menor-Salván, C. and Marín-Yaseli, M.R., Chem. Soc. Rev., 41(16), 5404-5415, 2012. DOI:10.1039/c2cs35060b. [3] De Marcellus P., Bertrand M., Nuevo M., Westall F. and Le Sergeant d'Hendecourt L., Astrobiology. 11(9), 847-854, 2011. DOI:10.1089/ast.2011.0677. [4] Ozeki, H., Miyahara R., Ihara H., Todaka S., Kobayashi

  1. Investigation of human teeth with respect to the photon interaction, energy absorption and buildup factor

    Energy Technology Data Exchange (ETDEWEB)

    Kurudirek, Murat, E-mail: mkurudirek@gmail.co [Faculty of Science, Department of Physics, Ataturk University, 25240 Erzurum (Turkey); Topcuoglu, Sinan [Faculty of Dentistry, Department of Endodontic, Ataturk University, 25240 Erzurum (Turkey)

    2011-05-15

    The effective atomic numbers and electron densities of human teeth have been calculated for total photon interaction (Z{sub PI{sub e{sub f{sub f}}}},Ne{sub PI{sub e{sub f{sub f}}}}) and photon energy absorption (Z{sub PEA{sub e{sub f{sub f}}}},Z{sub RW{sub e{sub f{sub f}}}}Ne{sub PEA{sub e{sub f{sub f}}}}) in the energy region 1 keV-20 MeV. Besides, the energy absorption (EABF) and exposure (EBF) buildup factors have been calculated for these samples by using the geometric progression fitting approximation in the energy region 0.015-15 MeV up to 40 mfp (mean free path). Wherever possible the results were compared with experiment. Effective atomic numbers (Z{sub PI{sub e{sub f{sub f}}}}) of human teeth were calculated using different methods. Discrepancies were noted in Z{sub PI{sub e{sub f{sub f}}}} between the direct and interpolation methods in the low and high energy regions where absorption processes dominate while good agreement was observed in intermediate energy region where Compton scattering dominates. Significant variations up to 22% were observed between Z{sub PI{sub e{sub f{sub f}}}} and Z{sub PEA{sub e{sub f{sub f}}}} in the energy region 30-150 keV which is the used energy range in dental cone beam computed tomography (CBCT) X-ray machines. The Z{sub eff} values of human teeth were found to relatively vary within 1% if different laser treatments are applied. In this variation, the Er:YAG laser treated samples were found to be less effected than Nd:YAG laser treated ones when compared with control group. Relative differences between EABF and EBF were found to be significantly high in the energy region 60 keV-1 MeV even though they have similar variations with respect to the different parameters viz. photon energy, penetration depth.

  2. Investigating salt and naphthenic acids interactions in the toxicity of oil sands process water to freshwater invertebrates

    International Nuclear Information System (INIS)

    Turcotte, D.; Kautzman, M.; Wojnarowicz, P.; Cutter, J.; Bird, E.; Liber, K.

    2010-01-01

    The hot water extraction process used to produce bitumens from oil sands produces a large volume of oil sands process water (OSPW) that contain elevated concentrations of naphthenic acids (NA) and salts. Many oil sands reclamation projects are proposing the use of OSPW as part of reconstructed wetlands projects. This study investigated the toxicity of OSPW to freshwater invertebrates. The toxic interactions between NA and salinity on freshwater invertebrates were assessed. Bioassays with laboratory-cultured Ceriodaphnia dubia were conducted to determine the toxicity of OSPW from selected water bodies. The study showed that while the concentrations of NAs and salinity were elevated in OSPW waters that caused toxic responses, the concentrations of salinity ions varied greatly among the OSPW samples. Results of the study suggested that ion composition may be a factor in toxicity. Interactions between NAs and salinity were then assessed by performing bioassays with mixtures representing major ion combinations in OSPW.

  3. Ultraviolet-Visible (UV-Vis) and Fluorescence Spectroscopic Investigation of the Interactions of Ionic Liquids and Catalase.

    Science.gov (United States)

    Dong, Xing; Fan, Yunchang; Yang, Peng; Kong, Jichuan; Li, Dandan; Miao, Juan; Hua, Shaofeng; Hu, Chaobing

    2016-11-01

    The inhibitory effects of nine ionic liquids (ILs) on the catalase activity were investigated using fluorescence, absorption ultraviolet-visible spectroscopy. The interactions of ILs and catalase on the molecular level were studied. The experimental results indicated that ILs could inhibit the catalase activity and their inhibitory abilities depended on their chemical structures. Fluorescence experiments showed that hydrogen bonding played an important role in the interaction process. The inhibitory abilities of ILs on catalase activity could be simply described by their hydrophobicity and hydrogen bonding abilities. Unexpected less inhibitory effects of trifluoromethanesulfonate (TfO - ) might be ascribed to its larger size, which makes it difficult to go through the substrate channel of catalase to the active site. © The Author(s) 2016.

  4. Interactions between Lattice Dislocations and Grain Boundaries in Ni3Al Investigated by Means of In Situ TEM and Computer Modelling Experiments

    NARCIS (Netherlands)

    Pestman, B.J.; Hosson, J.Th.M. De

    1992-01-01

    The interaction between lattice dislocations and grain boundaries in Ni3Al has been investigated by means of in situ TEM deformation experiments. The interaction between screw dislocations and a coherent twin boundary could be analyzed in detail. The interaction mechanism found experimentally was

  5. Molecular interaction of 2,4-diacetylphloroglucinol (DAPG) with human serum albumin (HSA): The spectroscopic, calorimetric and computational investigation

    Science.gov (United States)

    Pragna Lakshmi, T.; Mondal, Moumita; Ramadas, Krishna; Natarajan, Sakthivel

    2017-08-01

    Drug molecule interaction with human serum albumin (HSA) affects the distribution and elimination of the drug. The compound, 2,4-diacetylphloroglucinol (DAPG) has been known for its antimicrobial, antiviral, antihelminthic and anticancer properties. However, its interaction with HSA is not yet reported. In this study, the interaction between HSA and DAPG was investigated through steady-state fluorescence, time-resolved fluorescence (TRF), circular dichroism (CD), Fourier transform infrared (FT-IR) spectroscopy, isothermal titration calorimetry (ITC), molecular docking and molecular dynamics simulation (MDS). Fluorescence spectroscopy results showed the strong quenching of intrinsic fluorescence of HSA due to interaction with DAPG, through dynamic quenching mechanism. The compound bound to HSA with reversible and moderate affinity which explained its easy diffusion from circulatory system to target tissue. The thermodynamic parameters from fluorescence spectroscopic data clearly revealed the contribution of hydrophobic forces but, the role of hydrogen bonds was not negligible according to the ITC studies. The interaction was exothermic and spontaneous in nature. Binding with DAPG reduced the helical content of protein suggesting the unfolding of HSA. Site marker fluorescence experiments revealed the change in binding constant of DAPG in the presence of site I (warfarin) but not site II marker (ibuprofen) which confirmed that the DAPG bound to site I. ITC experiments also supported this as site I marker could not bind to HSA-DAPG complex while site II marker was accommodated in the complex. In silico studies further showed the lowest binding affinity and more stability of DAPG in site I than in site II. Thus the data presented in this study confirms the binding of DAPG to the site I of HSA which may help in further understanding of pharmacokinetic properties of DAPG.

  6. Effects of temperature and cellular interactions on the mechanics and morphology of human cancer cells investigated by atomic force microscopy.

    Science.gov (United States)

    Li, Mi; Liu, LianQing; Xi, Ning; Wang, YueChao; Xiao, XiuBin; Zhang, WeiJing

    2015-09-01

    Cell mechanics plays an important role in cellular physiological activities. Recent studies have shown that cellular mechanical properties are novel biomarkers for indicating the cell states. In this article, temperature-controllable atomic force microscopy (AFM) was applied to quantitatively investigate the effects of temperature and cellular interactions on the mechanics and morphology of human cancer cells. First, AFM indenting experiments were performed on six types of human cells to investigate the changes of cellular Young's modulus at different temperatures and the results showed that the mechanical responses to the changes of temperature were variable for different types of cancer cells. Second, AFM imaging experiments were performed to observe the morphological changes in living cells at different temperatures and the results showed the significant changes of cell morphology caused by the alterations of temperature. Finally, by co-culturing human cancer cells with human immune cells, the mechanical and morphological changes in cancer cells were investigated. The results showed that the co-culture of cancer cells and immune cells could cause the distinct mechanical changes in cancer cells, but no significant morphological differences were observed. The experimental results improved our understanding of the effects of temperature and cellular interactions on the mechanics and morphology of cancer cells.

  7. INVESTIGATION OF ROADWAY GEOMETRIC AND TRAFFIC FLOW FACTORS FOR VEHICLE CRASHES USING SPATIOTEMPORAL INTERACTION

    Directory of Open Access Journals (Sweden)

    G. Gill

    2017-09-01

    Full Text Available Traffic safety is a major concern in the transportation industry due to immense monetary and emotional burden caused by crashes of various severity levels, especially the injury and fatality ones. To reduce such crashes on all public roads, the safety management processes are commonly implemented which include network screening, problem diagnosis, countermeasure identification, and project prioritization. The selection of countermeasures for potential mitigation of crashes is governed by the influential factors which impact roadway crashes. Crash prediction model is the tool widely adopted by safety practitioners or researchers to link various influential factors to crash occurrences. Many different approaches have been used in the past studies to develop better fitting models which also exhibit prediction accuracy. In this study, a crash prediction model is developed to investigate the vehicular crashes occurring at roadway segments. The spatial and temporal nature of crash data is exploited to form a spatiotemporal model which accounts for the different types of heterogeneities among crash data and geometric or traffic flow variables. This study utilizes the Poisson lognormal model with random effects, which can accommodate the yearly variations in explanatory variables and the spatial correlations among segments. The dependency of different factors linked with roadway geometric, traffic flow, and road surface type on vehicular crashes occurring at segments was established as the width of lanes, posted speed limit, nature of pavement, and AADT were found to be correlated with vehicle crashes.

  8. Multi-Sensory-Motor Research: Investigating Auditory, Visual, and Motor Interaction in Virtual Reality Environments

    Directory of Open Access Journals (Sweden)

    Thorsten Kluss

    2011-10-01

    Full Text Available Perception in natural environments is inseparably linked to motor action. In fact, we consider action an essential component of perceptual representation. But these representations are inherently difficult to investigate: Traditional experimental setups are limited by the lack of flexibility in manipulating spatial features. To overcome these problems, virtual reality (VR experiments seem to be a feasible alternative, but these setups typically lack ecological realism due to the use of “unnatural” interface-devices (joystick. Thus, we propose an experimental apparatus which combines multisensory perception and action in an ecologically realistic way. The basis is a 10-foot hollow sphere (VirtuSphere placed on a platform that allows free rotation. A subject inside can walk in any direction for any distance immersed into virtual environment. Both the rotation of the sphere and movement of the subject's head are tracked to process the subject's view within the VR-environment presented on a head-mounted display. Moreover, auditory features are dynamically processed taking greatest care of exact alignment of sound-sources and visual objects using ambisonic-encoded audio processed by a HRTF-filterbank. We present empirical data that confirm ecological realism of this setup and discuss its suitability for multi-sensory-motor research.

  9. Investigating the impact of microbial interactions with geologic media on geophysical properties

    Science.gov (United States)

    Davis, Caroline Ann

    The goals of this study were to investigate the effect of: (1) microbial metabolic byproducts, microbial growth, and biofilm formation on the low frequency electrical properties of porous media, (2) biofilm formation on acoustic wave properties, and (3) the natural electrical (self-potential) signatures associated with an in-situ biological permeable reactive barrier (PRB). The results suggest: (1) increases in electrolytic conductivity are consistent with increased concentrations of organic acids and biosurfactants; (2) mineral weathering promoted by organic acids causes increases in electrolytic conductivity, concomitant with increases in major cation concentrations; (3) interfacial conductivity generally parallels microbial cell concentrations and biofilm formation; (4) variations in microbial growth and biofilms causes spatiotemporal heterogeneity in the elastic properties of porous media; (5) SP signatures associated with the injection of groundwater into an in-situ biological PRB are dominated by diffusion potentials induced by the injections. The results suggest that electrolytic conductivity may be useful as an indicator of metabolism, while interfacial conductivity may be used as proxy indicator for microbial growth and biofilm formation in porous media. In addition, acoustic measurements may provide diagnostic spatiotemporal data for the validation of bioclogging models/simulations. Collectively, this study provides further evidence that geophysical measurements are sensitive to microbial-induced changes to geologic media, and may be useful for the detection and monitoring of subsurface microbial growth, activity, and distribution such as in microbial enhanced oil recovery, assessing biofilm barriers used for contaminant remediation, or as sealants for reservoirs in CO2 sequestration studies.

  10. Investigation of Roadway Geometric and Traffic Flow Factors for Vehicle Crashes Using Spatiotemporal Interaction

    Science.gov (United States)

    Gill, G.; Sakrani, T.; Cheng, W.; Zhou, J.

    2017-09-01

    Traffic safety is a major concern in the transportation industry due to immense monetary and emotional burden caused by crashes of various severity levels, especially the injury and fatality ones. To reduce such crashes on all public roads, the safety management processes are commonly implemented which include network screening, problem diagnosis, countermeasure identification, and project prioritization. The selection of countermeasures for potential mitigation of crashes is governed by the influential factors which impact roadway crashes. Crash prediction model is the tool widely adopted by safety practitioners or researchers to link various influential factors to crash occurrences. Many different approaches have been used in the past studies to develop better fitting models which also exhibit prediction accuracy. In this study, a crash prediction model is developed to investigate the vehicular crashes occurring at roadway segments. The spatial and temporal nature of crash data is exploited to form a spatiotemporal model which accounts for the different types of heterogeneities among crash data and geometric or traffic flow variables. This study utilizes the Poisson lognormal model with random effects, which can accommodate the yearly variations in explanatory variables and the spatial correlations among segments. The dependency of different factors linked with roadway geometric, traffic flow, and road surface type on vehicular crashes occurring at segments was established as the width of lanes, posted speed limit, nature of pavement, and AADT were found to be correlated with vehicle crashes.

  11. Social interaction and social withdrawal in rodents as readouts for investigating the negative symptoms of schizophrenia.

    Science.gov (United States)

    Wilson, Christina A; Koenig, James I

    2014-05-01

    Negative symptoms (e.g., asociality and anhedonia) are a distinct symptomatic domain that has been found to significantly affect the quality of life in patients diagnosed with schizophrenia. Additionally, the primary negative symptom of asociality (i.e., withdrawal from social contact that derives from indifference or lack of desire to have social contact) is a major contributor to poor psychosocial functioning and has been found to play an important role in the course of the disorder. Nonetheless, the pathophysiology underlying these symptoms is unknown and currently available treatment options (e.g., antipsychotics and cognitive-behavioral therapy) fail to reliably produce efficacious benefits. Utilizing rodent paradigms that measure social behaviors (e.g., social withdrawal) to elucidate the neurobiological substrates that underlie social dysfunction and to identify novel therapeutic targets may be highly informative and useful to understand more about the negative symptoms of schizophrenia. Accordingly, the purpose of this review is to provide an overview of the behavioral tasks for assessing social functioning that may be translationally relevant for investigating negative symptoms associated with schizophrenia. © 2013 Published by Elsevier B.V. and ECNP.

  12. Social interaction and social withdrawal in rodents as readouts for investigating the negative symptoms of schizophrenia

    Science.gov (United States)

    Wilson, Christina A.; Koenig, James I.

    2015-01-01

    Negative symptoms (e.g., asociality and anhedonia) are a distinct symptomatic domain that has been found to significantly affect the quality of life in patients diagnosed with schizophrenia. Additionally, the primary negative symptom of asociality (i.e., withdrawal from social contact that derives from indifference or lack of desire to have social contact) is a major contributor to poor psychosocial functioning and has been found to play an important role in the course of the disorder. Nonetheless, the pathophysiology underlying these symptoms is unknown and currently available treatment options (e.g., antipsychotics and cognitive-behavioral therapy) fail to reliably produce efficacious benefits. Utilizing rodent paradigms that measure social behaviors (e.g., social withdrawal) to elucidate the neurobiological substrates that underlie social dysfunction and to identify novel therapeutic targets may be highly informative and useful to understand more about the negative symptoms of schizophrenia. Accordingly, the purpose of this review is to provide an overview of the behavioral tasks for assessing social functioning that may be translationally relevant for investigating negative symptoms associated with schizophrenia. PMID:24342774

  13. Paramagnetic NMR investigation of dendrimer-based host-guest interactions.

    Directory of Open Access Journals (Sweden)

    Fei Wang

    Full Text Available In this study, the host-guest behavior of poly(amidoamine (PAMAM dendrimers bearing amine, hydroxyl, or carboxylate surface functionalities were investigated by paramagnetic NMR studies. 2,2,6,6-Tetramethylpiperidinyloxy (TEMPO derivatives were used as paramagnetic guest molecules. The results showed that TEMPO-COOH significantly broaden the ¹H NMR peaks of amine- and hydroxyl-terminated PAMAM dendrimers. In comparison, no paramagnetic relaxation enhancement (PRE was observed between TEMPO-NH₂, TEMPO-OH and the three types of PAMAM dendrimers. The PRE phenomenon observed is correlated with the encapsulation of TEMPO-COOH within dendrimer pockets. Protonation of the tertiary amine groups within PAMAM dendrimers plays an important role during this process. Interestingly, the absence of TEMPO-COOH encapsulation within carboxylate-terminated PAMAM dendrimer is observed due to the repulsion of TEMPO-COO- anion and anionic dendrimer surface. The combination of paramagnetic probes and ¹H NMR linewidth analysis can be used as a powerful tool in the analysis of dendrimer-based host-guest systems.

  14. Investigation of the interaction of copper(II) oxide and electron beam irradiation crosslinkable polyethylene

    International Nuclear Information System (INIS)

    Bee, Soo-Tueen; Sin, Lee Tin; Ratnam, C.T.; Haraveen, K.J.S.; Tee, Tiam-Ting; Rahmat, A.R.

    2015-01-01

    In this study, the effects of electron beam irradiation on the properties of copper(II) oxide when added to low-density polyethylene (LDPE) blends were investigated. It was found that the addition of low loading level of copper(II) oxide (⩽2 phr) to LDPE results in significantly poorer gel content and hot set results. However, the incorporation of higher loading level of copper(II) oxide (⩾3 phr) could slightly increase the degree of crosslinking in all irradiated LDPE composites. This is due to the fact that higher amounts of copper(II) oxide could slightly induce the formation of free radicals in LDPE matrix. Besides, increasing irradiation doses was also found to gradually increase the gel content of LDPE composites by generating higher amounts of free radicals. As a consequence, these higher amounts of free radicals released in the LDPE matrix could significantly increase the degree of crosslinking. The addition of copper(II) oxide could reduce the tensile strength and fracture strain (elongation at break) of LDPE composites because of poorer interfacial adhesion effect between copper(II) oxide particles and LDPE matrix. Meanwhile, increasing irradiation doses on all copper(II) oxide added LDPE composites could marginally increase the tensile strength. In addition, increasing irradiation dose could enhance the thermal stability of LDPE composites by increasing the decomposition temperature. The oxidation induction time (OIT) analysis showed that, because of the crosslinking network in the copper(II) oxide added LDPE composites, oxidation reaction is much delayed.

  15. Investigation of the interaction of copper(II) oxide and electron beam irradiation crosslinkable polyethylene

    Energy Technology Data Exchange (ETDEWEB)

    Bee, Soo-Tueen, E-mail: direct.beest@gmail.com [Department of Chemical Engineering, Lee Kong Chian Faculty of Engineering and Science, Universiti Tunku Abdul Rahman, Jalan Sungai Long, Bandar Sungai Long, Cheras, 43000 Kajang, Selangor (Malaysia); Sin, Lee Tin, E-mail: direct.tinsin@gmail.com [Department of Chemical Engineering, Lee Kong Chian Faculty of Engineering and Science, Universiti Tunku Abdul Rahman, Jalan Sungai Long, Bandar Sungai Long, Cheras, 43000 Kajang, Selangor (Malaysia); Ratnam, C.T. [Radiation Processing Technology Division, Malaysian Nuclear Agency, Bangi, 43000 Kajang, Selangor (Malaysia); Haraveen, K.J.S.; Tee, Tiam-Ting [Department of Chemical Engineering, Lee Kong Chian Faculty of Engineering and Science, Universiti Tunku Abdul Rahman, Jalan Sungai Long, Bandar Sungai Long, Cheras, 43000 Kajang, Selangor (Malaysia); Rahmat, A.R. [Department of Polymer Engineering, Faculty of Chemical Engineering, Universiti Teknologi Malaysia, 81310 UTM Skudai, Johor (Malaysia)

    2015-10-01

    In this study, the effects of electron beam irradiation on the properties of copper(II) oxide when added to low-density polyethylene (LDPE) blends were investigated. It was found that the addition of low loading level of copper(II) oxide (⩽2 phr) to LDPE results in significantly poorer gel content and hot set results. However, the incorporation of higher loading level of copper(II) oxide (⩾3 phr) could slightly increase the degree of crosslinking in all irradiated LDPE composites. This is due to the fact that higher amounts of copper(II) oxide could slightly induce the formation of free radicals in LDPE matrix. Besides, increasing irradiation doses was also found to gradually increase the gel content of LDPE composites by generating higher amounts of free radicals. As a consequence, these higher amounts of free radicals released in the LDPE matrix could significantly increase the degree of crosslinking. The addition of copper(II) oxide could reduce the tensile strength and fracture strain (elongation at break) of LDPE composites because of poorer interfacial adhesion effect between copper(II) oxide particles and LDPE matrix. Meanwhile, increasing irradiation doses on all copper(II) oxide added LDPE composites could marginally increase the tensile strength. In addition, increasing irradiation dose could enhance the thermal stability of LDPE composites by increasing the decomposition temperature. The oxidation induction time (OIT) analysis showed that, because of the crosslinking network in the copper(II) oxide added LDPE composites, oxidation reaction is much delayed.

  16. Investigation of hydrogen-deformation interactions in β-21S titanium alloy using thermal desorption spectroscopy

    International Nuclear Information System (INIS)

    Tal-Gutelmacher, E.; Eliezer, D.; Boellinghaus, Th.

    2007-01-01

    The focus of this paper is the investigation of the combined influence of hydrogen and pre-plastic deformation on hydrogen's absorption/desorption behavior, the microstructure and microhardness of a single-phased β-21S alloy. In this study, thermal desorption analyses (TDS) evaluation of various desorption and trapping parameters provide further insight on the relationships between hydrogen absorption/desorption processes and deformation, and their mutual influence on the microstructure and the microhardness of β-21S alloy. TDS spectra were supported by other experimental techniques, such as X-ray diffraction, scanning and transmission electron microscopy, hydrogen quantity analyses and microhardness tests. Pre-plastic deformation, performed before the electrochemical hydrogenation of the alloy, increased significantly the hydrogen absorption capacity. Its influence was also evident on the notably expanded lattice parameter of β-21S alloy after hydrogenation. However, no hydride precipitation was observed. An interesting softening effect of the pre-deformed hydrogenated alloy was revealed by microhardness tests. TDS demonstrated the significant effect of pre-plastic deformation on the hydrogen evolution process. Hydrogen desorption temperature and the activation energy for hydrogen release increased, additional trap states were observed and the amount of desorbed hydrogen decreased

  17. Investigation on fuel-cladding chemical interaction in metal fuel for FBR

    International Nuclear Information System (INIS)

    Inagaki, Kenta; Nakamura, Kinya; Ogata, Takanari; Uwaba, Tomoyuki

    2013-01-01

    During steady-state irradiation of metallic fuel in fast reactors, rare-earth fission products can react with stainless steel cladding at the fuel-cladding interface. The authors conducted isothermal annealing tests with some diffusion couples to investigate the structure of the wastage layer formed at the interface. Candidate cladding alloys, ferritic-martensitic steel (PNC-FMS) and oxide-dispersion-strengthened (ODS) steel were assembled with rare-earth alloys, RE5 : La-Ce-Pr-Nd-Sm, which simulate the fission yield of rare-earth fission products. The diffusion couples were isothermally annealed in the temperature range of 500-650°C for up to 170 h. In both RE5/ODS-steel and RE5/PNC-FMS couples, the wastage layer of the two-phase region of the (Fe, Cr) 17 RE 2 matrix phase with the precipitation of the (Fe, RE, Cr) phase was formed. The structure was similar to that formed in RE5/Fe-12Cr and RE5/HT9 couples, which implies that the reaction between REs and steel is not significantly influenced by the minor alloying elements within the candidate cladding materials. It was also clarified that the increase in the wastage layer thickness was diffusion-controlled. The temperature dependence of the reaction rate constants were formulated, which can be the basis for the quantification of the wastage layer growth. (author)

  18. Investigation of the interaction between trazodone hydrochloride and bovine serum albumin

    Energy Technology Data Exchange (ETDEWEB)

    Ashoka, S. [Department of Chemistry, Karnatak University, Dharwad-580 003 (India); Seetharamappa, J. [Department of Chemistry, Karnatak University, Dharwad-580 003 (India)]. E-mail: jseetharam@yahoo.com; Kandagal, P.B. [Department of Chemistry, Karnatak University, Dharwad-580 003 (India); Shaikh, S.M.T. [Department of Chemistry, Karnatak University, Dharwad-580 003 (India)

    2006-11-15

    In this paper, the binding of trazodone hydrochloride (TZH) to bovine serum albumin (BSA) was investigated by spectroscopic (fluorescence, spectrophotometry and circular dichroism) techniques under simulative physiological conditions. A strong fluorescence quenching reaction of TZH to BSA was observed and the quenching mechanism was suggested as dynamic quenching according to the Stern-Volmer equation. The binding constants of TZH with BSA at 288, 302 and 309 K were calculated as (1.56{+-}0.003)x10{sup 4}, (2.31{+-}0.002)x10{sup 4} and (5.44{+-}0.004)x10{sup 4} M{sup -1}, respectively. The thermodynamic parameters, {delta}H {sup 0} and {delta}S {sup 0} were obtained to be 39.86{+-}0.008 kJ mol{sup -1} and 217.89{+-}0.011 J mol{sup -1} K{sup -1}, respectively, which indicated the presence of hydrophobic forces between TZH and BSA. The spectral results observed showed that the binding of TZH to BSA induced conformational changes in BSA. Based on the Foerster's theory of non-radiation energy transfer, the binding average distance, r between donor (BSA) and acceptor (TZH) was found to be 2.4 nm. The effect of common ions on binding of TZH to BSA was also examined.

  19. JV Task 96 - Phase 2 - Investigating the Importance of the Mercury-Selenium Interaction

    Energy Technology Data Exchange (ETDEWEB)

    Nicholas Ralston; Laura Raymond

    2008-03-01

    In order to improve the understanding of the mercury issue, it is vital to study mercury's effects on selenium physiology. While mercury present in the environment or food sources may pose health risks, the protective effects of selenium have not been adequately considered in establishing regulatory policy. Numerous studies report that vulnerability to mercury toxicity is inversely proportional to selenium status or level. However, selenium status has not been considered in the development of the reference dosage levels for mercury exposure. Experimental animals fed low-selenium diets are far more vulnerable to mercury toxicity than animals fed normal selenium, and animals fed selenium-rich diets are even more resistant. Selenium-dependent enzymes in brain and endocrine tissues can be impaired by excessive mercury exposure, apparently because mercury has an extremely high binding affinity for selenium. When selenium becomes bound to mercury, it is unable to participate in the metabolic cycling of selenoprotein synthesis. Because of mercury-dependent impairments of selenoprotein synthesis, various antioxidant and regulatory functions in brain biochemistry are compromised. This report details a 2-year multiclient-funded research program designed to examine the interactions between mercury and selenium in animal models. The studies explored the effects of dietary intakes of toxic amounts of methylmercury and the protective effects of the normal dietary range of selenium in counteracting mercury toxicity. This study finds that the amounts of selenium present in ocean fish are sufficient to protect against far larger quantities of methylmercury than those present in typical seafoods. Toxic effects of methylmercury exposure were not directly proportional to mercury concentrations in blood, brain, or any other tissues. Instead, mercury toxicity was proportional to molar ratios of mercury relative to selenium. In order to accurately assess risk associated with

  20. Chemical and structural investigation of lipid nanoparticles: drug-lipid interaction and molecular distribution

    Energy Technology Data Exchange (ETDEWEB)

    Anantachaisilp, Suranan; Smith, Siwaporn Meejoo [Department of Chemistry and Center of Excellence for Innovation in Chemistry, Faculty of Science, Mahidol University, Rama VI Road, Bangkok 10400 (Thailand); Treetong, Alongkot; Ruktanonchai, Uracha Rungsardthong [National Nanotechnology Center, National Science and Technology Development Agency, 111 Thailand Science Park, Paholyothin Road, Klong 1, Klong Luang, Pathumthani 12120 (Thailand); Pratontep, Sirapat [College of KMITL Nanotechnology, King Mongkut' s Institute of Technology Ladkrabang, Bangkok (Thailand); Puttipipatkhachorn, Satit, E-mail: uracha@nanotec.or.th [Department of Manufacturing Pharmacy, Faculty of Pharmacy, Mahidol University, Bangkok 10400 (Thailand)

    2010-03-26

    Lipid nanoparticles are a promising alternative to existing carriers in chemical or drug delivery systems. A key challenge is to determine how chemicals are incorporated and distributed inside nanoparticles, which assists in controlling chemical retention and release characteristics. This study reports the chemical and structural investigation of {gamma}-oryzanol loading inside a model lipid nanoparticle drug delivery system composed of cetyl palmitate as solid lipid and Miglyol 812 as liquid lipid. The lipid nanoparticles were prepared by high pressure homogenization at varying liquid lipid content, in comparison with the {gamma}-oryzanol free systems. The size of the lipid nanoparticles, as measured by the photon correlation spectroscopy, was found to decrease with increased liquid lipid content from 200 to 160 nm. High-resolution proton nuclear magnetic resonance ({sup 1}H-NMR) measurements of the medium chain triglyceride of the liquid lipid has confirmed successful incorporation of the liquid lipid in the lipid nanoparticles. Differential scanning calorimetric and powder x-ray diffraction measurements provide complementary results to the {sup 1}H-NMR, whereby the crystallinity of the lipid nanoparticles diminishes with an increase in the liquid lipid content. For the distribution of {gamma}-oryzanol inside the lipid nanoparticles, the {sup 1}H-NMR revealed that the chemical shifts of the liquid lipid in {gamma}-oryzanol loaded systems were found at rather higher field than those in {gamma}-oryzanol free systems, suggesting incorporation of {gamma}-oryzanol in the liquid lipid. In addition, the phase-separated structure was observed by atomic force microscopy for lipid nanoparticles with 0% liquid lipid, but not for lipid nanoparticles with 5 and 10% liquid lipid. Raman spectroscopic and mapping measurements further revealed preferential incorporation of {gamma}-oryzanol in the liquid part rather than the solid part of in the lipid nanoparticles. Simple models

  1. Chemical and structural investigation of lipid nanoparticles: drug-lipid interaction and molecular distribution

    Science.gov (United States)

    Anantachaisilp, Suranan; Meejoo Smith, Siwaporn; Treetong, Alongkot; Pratontep, Sirapat; Puttipipatkhachorn, Satit; Rungsardthong Ruktanonchai, Uracha

    2010-03-01

    Lipid nanoparticles are a promising alternative to existing carriers in chemical or drug delivery systems. A key challenge is to determine how chemicals are incorporated and distributed inside nanoparticles, which assists in controlling chemical retention and release characteristics. This study reports the chemical and structural investigation of γ-oryzanol loading inside a model lipid nanoparticle drug delivery system composed of cetyl palmitate as solid lipid and Miglyol 812® as liquid lipid. The lipid nanoparticles were prepared by high pressure homogenization at varying liquid lipid content, in comparison with the γ-oryzanol free systems. The size of the lipid nanoparticles, as measured by the photon correlation spectroscopy, was found to decrease with increased liquid lipid content from 200 to 160 nm. High-resolution proton nuclear magnetic resonance (1H-NMR) measurements of the medium chain triglyceride of the liquid lipid has confirmed successful incorporation of the liquid lipid in the lipid nanoparticles. Differential scanning calorimetric and powder x-ray diffraction measurements provide complementary results to the 1H-NMR, whereby the crystallinity of the lipid nanoparticles diminishes with an increase in the liquid lipid content. For the distribution of γ-oryzanol inside the lipid nanoparticles, the 1H-NMR revealed that the chemical shifts of the liquid lipid in γ-oryzanol loaded systems were found at rather higher field than those in γ-oryzanol free systems, suggesting incorporation of γ-oryzanol in the liquid lipid. In addition, the phase-separated structure was observed by atomic force microscopy for lipid nanoparticles with 0% liquid lipid, but not for lipid nanoparticles with 5 and 10% liquid lipid. Raman spectroscopic and mapping measurements further revealed preferential incorporation of γ-oryzanol in the liquid part rather than the solid part of in the lipid nanoparticles. Simple models representing the distribution of γ-oryzanol and

  2. Experimental investigations of strong interactions in non-perturbative QCD region

    International Nuclear Information System (INIS)

    Lindenbaum, S.J.; Samuel, S.

    1992-01-01

    We have experimentally investigated the reactions π - p → φφn (OZI forbidden), φK + K - n (OZI allowed), K - p →φφ{ σ λ } (OZI allowed),φK + K - { σ λ }(OZI allowed),bar pp → φ φ π 0 (OZI forbidden), φK + K - π 0 (OZI allowed). By comparing the OZI forbidden (glueball filter) reactions with the OZI allowed and taking a global view we hope to critically test our hypothesis that the g T (2010), g T' (2300), and g T double-prime(2340) all with I G J PC = 0 + 2 ++ are produced by 1--3 2 ++ glueballs. We have searched for a Quark-Gluon Plasma by using 14.6 GeV/c x A Si ions incident on Au, Cu and Si. The novel detector used was a large solid angle TPC system. Although we found considerable strangeness enhancement this is explainable by conventional cascade physics including N* production. We have been engaged in phenomenological analyses in both glueball and heavy ion work. We have found that the θ(1720) is the same as the 0 ++ f 0 (1720) we discovered earlier. Furthermore that the G(1590) can be explained as a sum of the f 0 (1400) and f 0 (1720) and does not require a new resonant state. We have also found that the strangeness enhancement discovered in heavy ion collisions so far is explainable by conventional physics. We are in the STAR Collaboration at RHIC which uses a large TPC system to search for a Quark-Gluon Plasma

  3. Investigation of Interaction between Deferoxamine and Low Frequency Electromagnetic Field on Angiogenesis in Chick Embryo

    Directory of Open Access Journals (Sweden)

    Atena Dashtizadeh

    2015-02-01

    Full Text Available Background: Deferoxamine (DFO is an iron chelator. In the present research, the synergic effects of deferoxamine and electromagnetic field (with 50 H frequency and 100 Gauss intensity on angiogenesis of chick chorioallantoic membrane were investigated. Materials and Methods: In this experimental study 80 fertilized egg used and randomly divided 8 group: control group, laboratory control groups of 1 and 2, experimental group 1 (treatment with electromagnetic field, 2 and 3 (treatment with deferoxamine 10, 100 µmol, respectively, 4 and 5 (treatment both deferoxamine 10 and 100 µmol respectively and electromagnetic field. On 8th day of incubation, 2 and 4 groups were incubated with 10 µL deferoxamine and for 3 and 5 groups were incubated with 10 µL deferoxamine 100 µmol. On 10th day, 1, 4 and 5 groups were put in electromagnetic field. On 12th day, the number and length of vessels in all samples was measured by Image J software. Data were analyzed by SPSS-19, ANOVA and t-test. Results: The mean number and length of vessels in the control and experimental cases did not show any significant differences. Comparison between mean number of vessels in the control and group 2, 3, 4, 5 showed a significant decrease (p<0.05 and groups 2 and 4 was showed a significant decrease in the mean length of vessels compared with the controls (p<0.05. Conclusion: Using deferoxamine with low frequency electromagnetic field (50 Hz and 100 G cause inhibition of angiogenesis in chick embryo chorioallantoic membrane.

  4. Kinetic investigation of myeloperoxidase upon interaction with copper, cadmium, and lead ions

    International Nuclear Information System (INIS)

    Shabani, M.; Ani, M.; Movahedian, A.; Samsam Shariat, Z. A.

    2011-01-01

    Myeloperoxidase, which is abundantly expressed in neutrophils, catalyzes the formation of a number of reactive oxidant species. However, evidence has emerged that Myeloperoxidase-derived oxidants contribute to tissue damage and initiation and propagation of inflammatory diseases, particularly, cardiovascular diseases. Therefore, studying the regulatory mechanisms of the enzyme activity is of great importance. For clarifying some possible mechanism of the enzyme activity, kinetic investigations of Myeloperoxidase in the presence of Copper, Cadmium, and Lead ions were carried out in vitro. Methods: Myeloperoxidase was partially purified from human white blood cells using ion-exchange and gel-filtration chromatography techniques. Its activity was measured spectrophotometrically by using tetramethyl benzidine as substrate. Results: Purified enzyme had a specific activity of 21.7 U/mg protein with a purity index of about 0.71. Copper inhibited Myeloperoxidase activity progressively up to a concentration of 60 m M at which about 80% of inhibition achieved. The inhibition was non-competitive with respect to tetramethyl benzidine. An inhibitory constant (Ki) of about 19 m M was calculated from the slope of repot. Cadmium and Lead did not show any significant inhibitory effect on the enzyme activity. Conclusion: The results of the present study may indicate that there are some places on the enzyme and enzyme-substrate complex for Copper ions. Binding of Copper ions to these places result in conformational changes of the enzyme and thus, enzyme inhibition. This inhibitory effect of Copper on the enzyme activity might be considered as a regulatory mechanism on Myeloperoxidase activity.

  5. Chemical and structural investigation of lipid nanoparticles: drug-lipid interaction and molecular distribution

    International Nuclear Information System (INIS)

    Anantachaisilp, Suranan; Smith, Siwaporn Meejoo; Treetong, Alongkot; Ruktanonchai, Uracha Rungsardthong; Pratontep, Sirapat; Puttipipatkhachorn, Satit

    2010-01-01

    Lipid nanoparticles are a promising alternative to existing carriers in chemical or drug delivery systems. A key challenge is to determine how chemicals are incorporated and distributed inside nanoparticles, which assists in controlling chemical retention and release characteristics. This study reports the chemical and structural investigation of γ-oryzanol loading inside a model lipid nanoparticle drug delivery system composed of cetyl palmitate as solid lipid and Miglyol 812 as liquid lipid. The lipid nanoparticles were prepared by high pressure homogenization at varying liquid lipid content, in comparison with the γ-oryzanol free systems. The size of the lipid nanoparticles, as measured by the photon correlation spectroscopy, was found to decrease with increased liquid lipid content from 200 to 160 nm. High-resolution proton nuclear magnetic resonance ( 1 H-NMR) measurements of the medium chain triglyceride of the liquid lipid has confirmed successful incorporation of the liquid lipid in the lipid nanoparticles. Differential scanning calorimetric and powder x-ray diffraction measurements provide complementary results to the 1 H-NMR, whereby the crystallinity of the lipid nanoparticles diminishes with an increase in the liquid lipid content. For the distribution of γ-oryzanol inside the lipid nanoparticles, the 1 H-NMR revealed that the chemical shifts of the liquid lipid in γ-oryzanol loaded systems were found at rather higher field than those in γ-oryzanol free systems, suggesting incorporation of γ-oryzanol in the liquid lipid. In addition, the phase-separated structure was observed by atomic force microscopy for lipid nanoparticles with 0% liquid lipid, but not for lipid nanoparticles with 5 and 10% liquid lipid. Raman spectroscopic and mapping measurements further revealed preferential incorporation of γ-oryzanol in the liquid part rather than the solid part of in the lipid nanoparticles. Simple models representing the distribution of γ-oryzanol and

  6. DYNAMO: a Mars upper atmosphere package for investigating solar wind interaction and escape processes, and mapping Martian fields

    DEFF Research Database (Denmark)

    Chassefiere, E.; Nagy, A.; Mandea, M.

    2004-01-01

    DYNAMO is a small multi-instrument payload aimed at characterizing current atmospheric escape, which is still poorly constrained, and improving gravity and magnetic field representations, in order to better understand the magnetic, geologic and thermal history of Mars. The internal structure...... of periapsis 170 km), and in a lesser extent 2a, offers an unprecedented opportunity to investigate by in situ probing the chemical and dynamical properties of the deep ionosphere, thermosphere, and the interaction between the atmosphere and the solar wind, and therefore the present atmospheric escape rate...

  7. Experimental Investigations into CO2 Interactions with Injection Well Infrastructure for CO2 Storage

    Science.gov (United States)

    Syed, Amer; Shi, Ji-Quan; Durucan, Sevket; Nash, Graham; Korre, Anna

    2013-04-01

    Wellbore integrity is an essential requirement to ensure the success of a CO2 Storage project as leakage of CO2 from the injection or any other abandoned well in the storage complex, could not only severely impede the efficiency of CO2 injection and storage but also may result in potential adverse impact on the surrounding environment. Early research has revealed that in case of improper well completions and/or significant changes in operating bottomhole pressure and temperature could lead to the creation of microannulus at cement-casing interface which may constitute a preferential pathway for potential CO2 leakage during and post injection period. As a part of a European Commission funded CO2CARE project, the current research investigates the sealing behaviour of such microannulus at the cement-casing interface under simulated subsurface reservoir pressure and temperature conditions and uses the findings to develop a methodology to assess the overall integrity of CO2 storage. A full scale wellbore experimental test set up was constructed for use under elevated pressure and temperature conditions as encountered in typical CO2 storage sites. The wellbore cell consists of an assembly of concentric elements of full scale casing (Diameter= 0.1524m), cement sheath and an outer casing. The stainless steel outer ring is intended to simulate the stiffness offered by the reservoir rock to the displacement applied at the wellbore. The Central Loading Mechanism (CLM) consists of four case hardened shoes that can impart radial load onto the well casing. The radial movement of the shoes is powered through the synchronised movement of four precision jacks controlled hydraulically which could impart radial pressures up to 15 MPa. The cell body is a gas tight enclosure that houses the wellbore and the central loading mechanism. The setup is enclosed in a laboratory oven which acts both as temperature and safety enclosure. Prior to a test, cement mix is set between the casing and

  8. Lab-scale impact test to investigate the pipe-soil interaction and comparative study to evaluate structural responses

    Directory of Open Access Journals (Sweden)

    Dong-Man Ryu

    2015-07-01

    Full Text Available This study examined the dynamic response of a subsea pipeline under an impact load to determine the effect of the seabed soil. A laboratory-scale soil-based pipeline impact test was carried out to investigate the pipeline deformation/strain as well as the interaction with the soil-pipeline. In addition, an impact test was simulated using the finite element technique, and the calculated strain was compared with the experimental results. During the simulation, the pipeline was described based on an elasto-plastic analysis, and the soil was modeled using the Mohr-Coulomb fail-ure criterion. The results obtained were compared with ASME D31.8, and the differences between the analysis results and the rules were specifically investigated. Modified ASME formulae were proposed to calculate the precise structural behavior of a subsea pipeline under an impact load when considering sand- and clay-based seabed soils.

  9. Experimental investigation of the generation of harmonic photons from the interaction of free electrons with intense laser radiation

    International Nuclear Information System (INIS)

    Englert, T.J.

    1983-01-01

    An experimental investigation of the generation of second harmonic photons through the interaction of free electrons with an intense laser beam has been performed. Second harmonic photons with a wavelength of 530nm generated from the interaction of free electrons with 1060nm photons from a neodymium-glass laser are implied by observing Doppler shifted photons with wavelengths of 490nm and 507nm. The observed photon wavelengths results from a Doppler shift of the laser photon wavelengths as viewed in the rest frame of the electrons combined with a Doppler shift of the second harmonic photons emitted from 1600eV and 500eV electrons. Comparison of experimental results with those predicted by cross sections, derived using classical and quantum electrodynamics, shows reasonable agreement with both theories. Although second harmonic photons are created, the dynamics of second harmonic photon generation (accelerated electron motion due to the electromagnetic field or actual two-photon interaction with the electron) cannot be resolved without further experiment

  10. Investigations of dynamic interactions coupled by soil between neighbouring nuclear power plants of high mass in case of seismic excitation

    International Nuclear Information System (INIS)

    Matthees, W.; Magiera, G.

    1980-01-01

    A sensitivity study for the interaction effects for adjacent structures of nuclear power plants i.e. for main buildings and auxiliary buildings has been performed due to horizontal seismic excitation. An interaction measuring rule for response spectra has been defined as the ratio of amplitude of response calculated inclusive the auxiliary building to the amplitude calculated without the auxiliary building in respect to the proper eigen-frequencies. The calculations of the three-dimensional effects are approximated with the program FLUSH. The accuracy of the achievable response herewith calculated is proven in comparison with other suitable methods. The interaction measuring rule is determined by a parameter investigation including the mathematical model consisting of the soil, the main building, and the auxiliary building. The following assumptions are asserted: 1. the soil characteristics are temporarily constant. Ignorance of the accuracy of the realistic i.e. stress depending soil values is encountered by variation of the decisive characteristics within their applicable band-width. 2. The fineness of the mathematical-mechanical modelling for the structural systems i.e. the number of the degrees of freedom is limited to a minimum. Attention is hereby paid that the eigen-frequencies of the main building as well as the eigen-frequencies of the layered soil system in the range of 0 to 10 Hz are computed with sufficient accuracy. (orig./HP) [de

  11. Investigations on the interactions of aurintricarboxylic acid with bovine serum albumin: Steady state/time resolved spectroscopic and docking studies.

    Science.gov (United States)

    Bardhan, Munmun; Chowdhury, Joydeep; Ganguly, Tapan

    2011-01-10

    In this paper, the nature of the interactions between bovine serum albumin (BSA) and aurintricarboxylic acid (ATA) has been investigated by measuring steady state and time-resolved fluorescence, circular dichroism (CD), FT-IR and fluorescence anisotropy in protein environment under physiological conditions. From the analysis of the steady state and time-resolved fluorescence quenching of BSA in aqueous solution in presence of ATA it has been inferred that the nature of the quenching originates from the combined effect of static and dynamic modes. From the determination of the thermodynamic parameters obtained from temperature-dependent changes in K(b) (binding constant) it was apparent that the combined effect of hydrophobic association and electrostatic attraction is responsible for the interaction of ATA with BSA. The effect of ATA on the conformation of BSA has been examined by analyzing CD spectrum. Though the observed results demonstrate some conformational changes in BSA in presence of ATA but the secondary structure of BSA, predominantly of α-helix, is found to retain its identity. Molecular docking of ATA with BSA also indicates that ATA docks through hydrophobic interaction. Copyright © 2010 Elsevier B.V. All rights reserved.

  12. Spectroscopic investigations on the interaction of thioacetamide with ZnO quantum dots and application for its fluorescence sensing.

    Science.gov (United States)

    Saha, Dipika; Negi, Devendra P S

    2018-01-15

    The purpose of the present work was to develop a method for the sensing of thioacetamide by using spectroscopic techniques. Thioacetamide is a carcinogen and it is important to detect its presence in food-stuffs. Semiconductor quantum dots are frequently employed as sensing probes since their absorption and fluorescence properties are highly sensitive to the interaction with substrates present in the solution. In the present work, the interaction between thioacetamide and ZnO quantum dots has been investigated by using UV-visible, fluorescence and infrared spectroscopy. Besides, dynamic light scattering (DLS) has also been utilized for the interaction studies. UV-visible absorption studies indicated the bonding of the lone pair of sulphur atom of thioacetamide with the surface of the semiconductor. The fluorescence band of the ZnO quantum dots was found to be quenched in the presence of micromolar concentrations of thioacetamide. The quenching was found to follow the Stern-Volmer relationship. The Stern-Volmer constant was evaluated to be 1.20×10 5 M -1 . Infrared spectroscopic measurements indicated the participation of the NH 2 group and the sulphur atom of thioacetamide in bonding with the surface of the ZnO quantum dots. DLS measurements indicated that the surface charge of the semiconductor was shielded by the thioacetamide molecules. Copyright © 2017 Elsevier B.V. All rights reserved.

  13. Interaction of 84 MeV/u 12C with 208Pb target investigated with CR-39 plastic track detector

    International Nuclear Information System (INIS)

    Grabez, B.

    1984-01-01

    The interaction of the 84 MeV/u 12 C ions with 208 Pb target was investigated using CR-39 plastic track detector. The first part of the work was dedicated to the examination of the methodology of the recently presented CR-39 detector and its calibration. Measurements have been done on tracks of various ions in the broad atomic number region from Z = 2 to Z = 92. The possibility of the identification of low energy fragments produced in nuclear interactions by measurements on the finished tracks was studied. Our results show that very good charge resolution can be achieved through determination of the mean etch rate ratio and the range of low energy ions. In the second part of the work it was shown that the main reaction channels in the interaction of 84 MeV/u C with Pb target are spallation, fission and fragmentation. The contribution of the multifragmentation is less than 1% of the total reaction cross section. From our results follows that the most probable reaction channels after collision with small impact parameter are fragmentation and deep spallation. The spallation and fission come after more peripheral collisions. (orig./HSI)

  14. Spectroscopic investigations on the interaction of thioacetamide with ZnO quantum dots and application for its fluorescence sensing

    Science.gov (United States)

    Saha, Dipika; Negi, Devendra P. S.

    2018-01-01

    The purpose of the present work was to develop a method for the sensing of thioacetamide by using spectroscopic techniques. Thioacetamide is a carcinogen and it is important to detect its presence in food-stuffs. Semiconductor quantum dots are frequently employed as sensing probes since their absorption and fluorescence properties are highly sensitive to the interaction with substrates present in the solution. In the present work, the interaction between thioacetamide and ZnO quantum dots has been investigated by using UV-visible, fluorescence and infrared spectroscopy. Besides, dynamic light scattering (DLS) has also been utilized for the interaction studies. UV-visible absorption studies indicated the bonding of the lone pair of sulphur atom of thioacetamide with the surface of the semiconductor. The fluorescence band of the ZnO quantum dots was found to be quenched in the presence of micromolar concentrations of thioacetamide. The quenching was found to follow the Stern-Volmer relationship. The Stern-Volmer constant was evaluated to be 1.20 × 105 M- 1. Infrared spectroscopic measurements indicated the participation of the sbnd NH2 group and the sulphur atom of thioacetamide in bonding with the surface of the ZnO quantum dots. DLS measurements indicated that the surface charge of the semiconductor was shielded by the thioacetamide molecules.

  15. Excange interactions and induced Eu3+ magnetic order in RMnO3 investigated using resonant X-ray diffraction

    International Nuclear Information System (INIS)

    Skaugen, Arvid

    2015-03-01

    The so-called multiferroics, materials that concomitantly exhibit more than one ferroic order, have in recent years attracted much attention owing to their possible applications in high density data storage, high sensitivity ac magnetic field sensors and novel spintronic devices. In particular, multiferroics with strong magnetoelectric coupling are more attractive. Among such multiferroics, an interesting special class is the orthorhombic manganites with perovskite structure. In these compounds, frustration serves to destabilize ordinary ferromagnetic or antiferromagnetic ordering, giving rise to rich phase diagrams due to several competing magnetic interactions. Interactions between strong rare earth magnetic moments and weaker transition metal moments add another level of complexity, as well as interest. The current dissertation presents results obtained investigating the magnetic structure responsible for ferroelectricity in a few selected multiferroic compounds, using x-ray resonant magnetic scattering (XRMS). In particular, single crystals of Eu 1-x Y x MnO 3 have been studied at low temperatures and in high magnetic fields. This series of compounds is similar in structure to the heavily studied RMnO 3 (R=Tb,Gd,Dy), only without rare earth magnetism. The novel technique of full polarization analysis has been used to determine the complicated cycloidal Mn magnetic ordering, and additional components due to the Dzyaloshinskii-Moriya interactions have been identified. In the compound Eu 0.8 Y 0.2 MnO 3 , two coexisting multiferroic phases were observed, and a magnetoelectric coupling between the two was established. Moreover, magnetic order of the formally non-magnetic rare earth ion Eu 3+ was observed in the same compound. It has been concluded to result from a Van Vleck type excitation of the J = 0 ground state due to the symmetry-breaking internal exchange field from the Mn magnetic moments. In addition, this dissertation reports on high field investigations

  16. A framework for investigating the interactions between climate, dust, solar power generation and water desalination processes in Desert Climate

    Science.gov (United States)

    Siam, M. S.; Alqatari, S.; Ibrahim, H. D.; AlAloula, R. A.; Alrished, M.; AlSaati, A.; Eltahir, E. A. B.

    2016-12-01

    Increasing water demand in Saudi Arabia due to rapid population growth has forced the rapid expansion of seawater desalination plants in order to meet both current and future freshwater needs. Saudi Arabia has a huge potential for solar energy, hence, solar-powered desalination plants provide an opportunity to sustainably address the freshwater demand in the kingdom without relying on fossil fuels energy. However, the desert climate of Saudi Arabia and limited access to the open ocean imposes several challenges to the expansion and sustainability of solar-powered desalination plants. For example, the frequent and intense dust storms that occur in the region can degrade solar panels and significantly reduce their efficiency. Moreover, the high salinity Arabian Gulf is both the source of feedwater and sink of hypersaline discharge (brine) for many plants in the east of the Kingdom, and the brine may alter the salinity, temperature and movement of the water thereby reducing the quality of the feedwater to the desalination plants. Here, we propose a framework to investigate the different interactions between climate, dust, solar power generation and seawater desalination in order to identify optimal parameters such as locations of solar panels and seawater intake for sustainable implementation of solar-powered desalination plants. This framework integrates several numerical models including regional climate, hydrodynamics, Photovoltaics (PV) and Photovoltaic-Reverse Osmosis (PV-RO) models that are used to investigate these interactions for a solar-powered desalination plant at AlKhafji on the Northeastern coast of Saudi Arabia.

  17. Investigation of hyperfine interactions in pure silicon and NTD silicon by means of perturbed angular γ-γ correlation spectroscopy

    International Nuclear Information System (INIS)

    Cordeiro, Moacir Ribeiro

    2007-01-01

    III the present work, a microscopic investigation of hyperfine interactions in single crystal silicon samples was carried out by means of Perturbed Angular γ -γ correlation technique (PAC), which is based in hyperfine interactions. In order to achieve these measurements, it was used 111 In → 111 Cd radioactive probe nuclei, which decay through the well known γ cascade 171-245 keV with an intermediate level of 245 keV ( I 5 + /2, Q = 0.83b, T 1/2 = 84.5 ns). The samples were prepared using different probe nuclei insertion methods, making possible to increase our understanding on the impact generated by each of these techniques in PAC measurements. Ion implantation, diffusion and evaporation were carefully investigated giving emphasis on its characteristics and particularities. Then, it was made a study about the concentration of intrinsic defects as function of severe annealing processes. Finally, a comparative analysis was made for all these probe nuclei insertion methods. This work also accomplished PAC measurements in single crystal silicon doped with phosphorus by means of Neutron Transmutation Doping (NTD) method, carried out in a research nuclear reactor. The extremely high doping uniformity allied to the nonexistence of previous measurements in these materials emphasize the importance of the results obtained. These results are then compared with literature results for samples doped by conventional methods presenting the respective conclusions. (author)

  18. Investigation of interaction of vanillin with Alpha, Beta and Gamma-cyclodextrin as drug delivery carriers: brief report

    Directory of Open Access Journals (Sweden)

    Batoolalsadat Mousavi Fard

    2015-05-01

    Methods: All theoretical calculations were performed on a Intel® Core™ i5 Processors computer at Kerman University using Gaussian 09 program package (Gaussian, Inc., Wallingford, USA in a three month period (February 2014 to May 2014. Starting geometries were generated employing GaussView software, version 5 (Gaussian, Inc., Wallingford, USA and then the resulting coordinates were optimized using density functional theory (DFT calculations. The natural bond orbital method (NBO program, under Gaussian 09 program package was carried out to study charge transfer energy associated with the intermolecular interactions. The quantum theory of atoms in molecules was applied for DFT results to get insight in the nature of interaction existing in the investigated systems. The calculations were carried out with AIM2000 program and AIMAll 14.10.27 package (Todd A. Keith, TK Gristmill software, Overland Park KS, USA to find and characterize bond critical points. Results: The vanillin molecule is adsorbed on the surface of carriers by hydrogen bonding between its oxygen atom and hydrogen atoms of cyclodextrin. The hydrogen of -OH group on the cyclodextrin can form hydrogen bond to the oxygen atom of carbonyl group of vanillin molecule. This study indicates a decrease of total energy with increasing surface of cyclodextrin. So gamma-cyclodextrin and its complex with the maximum surface in between carriers have the highest stabilities. The gamma-cyclodextrin shows the strongest interaction with vanillin. In all complexes of vanillin-cyclodextrin, the direction of charge transfer is from drug to carrier. Conclusion: Due to the high solubility of gamma-cyclodxtrin and its stronger interaction with the molecule vanillin, it can be the best option as drug carrier.

  19. Student use of a Learning Management System for group projects: A case study investigating interaction, collaboration, and knowledge construction

    Science.gov (United States)

    Lonn, Steven D.

    Web-based Learning Management Systems (LMS) allow instructors and students to share instructional materials, make class announcements, submit and return course assignments, and communicate with each other online. Previous LMS-related research has focused on how these systems deliver and manage instructional content with little concern for how students' constructivist learning can be encouraged and facilitated. This study investigated how students use LMS to interact, collaborate, and construct knowledge within the context of a group project but without mediation by the instructor. The setting for this case study was students' use in one upper-level biology course of the local LMS within the context of a course-related group project, a mock National Institutes of Health grant proposal. Twenty-one groups (82 students) voluntarily elected to use the LMS, representing two-thirds of all students in the course. Students' peer-to-peer messages within the LMS, event logs, online surveys, focus group interviews, and instructor interviews were used in order to answer the study's overarching research question. The results indicate that students successfully used the LMS to interact and, to a significant extent, collaborate, but there was very little evidence of knowledge construction using the LMS technology. It is possible that the ease and availability of face-to-face meetings as well as problems and limitations with the technology were factors that influenced whether students' online basic interaction could be further distinguished as collaboration or knowledge construction. Despite these limitations, students found several tools and functions of the LMS useful for their online peer interaction and completion of their course project. Additionally, LMS designers and implementers are urged to consider previous literature on computer-supported collaborative learning environments in order to better facilitate independent group projects within these systems. Further research is

  20. A Saccharomyces cerevisiae Assay System to Investigate Ligand/AdipoR1 Interactions That Lead to Cellular Signaling

    KAUST Repository

    Aouida, Mustapha

    2013-06-07

    Adiponectin is a mammalian hormone that exerts anti-diabetic, anti-cancer and cardioprotective effects through interaction with its major ubiquitously expressed plasma membrane localized receptors, AdipoR1 and AdipoR2. Here, we report a Saccharomyces cerevisiae based method for investigating agonist-AdipoR interactions that is amenable for high-throughput scale-up and can be used to study both AdipoRs separately. Agonist-AdipoR1 interactions are detected using a split firefly luciferase assay based on reconstitution of firefly luciferase (Luc) activity due to juxtaposition of its N- and C-terminal fragments, NLuc and CLuc, by ligand induced interaction of the chimeric proteins CLuc-AdipoR1 and APPL1-NLuc (adaptor protein containing pleckstrin homology domain, phosphotyrosine binding domain and leucine zipper motif 1-NLuc) in a S. cerevisiae strain lacking the yeast homolog of AdipoRs (Izh2p). The assay monitors the earliest known step in the adiponectin-AdipoR anti-diabetic signaling cascade. We demonstrate that reconstituted Luc activity can be detected in colonies or cells using a CCD camera and quantified in cell suspensions using a microplate reader. AdipoR1-APPL1 interaction occurs in absence of ligand but can be stimulated specifically by agonists such as adiponectin and the tobacco protein osmotin that was shown to have AdipoR-dependent adiponectin-like biological activity in mammalian cells. To further validate this assay, we have modeled the three dimensional structures of receptor-ligand complexes of membrane-embedded AdipoR1 with cyclic peptides derived from osmotin or osmotin-like plant proteins. We demonstrate that the calculated AdipoR1-peptide binding energies correlate with the peptides\\' ability to behave as AdipoR1 agonists in the split luciferase assay. Further, we demonstrate agonist-AdipoR dependent activation of protein kinase A (PKA) signaling and AMP activated protein kinase (AMPK) phosphorylation in S. cerevisiae, which are homologous to

  1. A Saccharomyces cerevisiae assay system to investigate ligand/AdipoR1 interactions that lead to cellular signaling.

    Directory of Open Access Journals (Sweden)

    Mustapha Aouida

    Full Text Available Adiponectin is a mammalian hormone that exerts anti-diabetic, anti-cancer and cardioprotective effects through interaction with its major ubiquitously expressed plasma membrane localized receptors, AdipoR1 and AdipoR2. Here, we report a Saccharomyces cerevisiae based method for investigating agonist-AdipoR interactions that is amenable for high-throughput scale-up and can be used to study both AdipoRs separately. Agonist-AdipoR1 interactions are detected using a split firefly luciferase assay based on reconstitution of firefly luciferase (Luc activity due to juxtaposition of its N- and C-terminal fragments, NLuc and CLuc, by ligand induced interaction of the chimeric proteins CLuc-AdipoR1 and APPL1-NLuc (adaptor protein containing pleckstrin homology domain, phosphotyrosine binding domain and leucine zipper motif 1-NLuc in a S. cerevisiae strain lacking the yeast homolog of AdipoRs (Izh2p. The assay monitors the earliest known step in the adiponectin-AdipoR anti-diabetic signaling cascade. We demonstrate that reconstituted Luc activity can be detected in colonies or cells using a CCD camera and quantified in cell suspensions using a microplate reader. AdipoR1-APPL1 interaction occurs in absence of ligand but can be stimulated specifically by agonists such as adiponectin and the tobacco protein osmotin that was shown to have AdipoR-dependent adiponectin-like biological activity in mammalian cells. To further validate this assay, we have modeled the three dimensional structures of receptor-ligand complexes of membrane-embedded AdipoR1 with cyclic peptides derived from osmotin or osmotin-like plant proteins. We demonstrate that the calculated AdipoR1-peptide binding energies correlate with the peptides' ability to behave as AdipoR1 agonists in the split luciferase assay. Further, we demonstrate agonist-AdipoR dependent activation of protein kinase A (PKA signaling and AMP activated protein kinase (AMPK phosphorylation in S. cerevisiae, which are

  2. An investigation of dentinal fluid flow in dental pulp during food mastication: simulation of fluid-structure interaction.

    Science.gov (United States)

    Su, Kuo-Chih; Chuang, Shu-Fen; Ng, Eddie Yin-Kwee; Chang, Chih-Han

    2014-06-01

    This study uses fluid-structure interaction (FSI) simulation to investigate the relationship between the dentinal fluid flow in the dental pulp of a tooth and the elastic modulus of masticated food particles and to investigate the effects of chewing rate on fluid flow in the dental pulp. Three-dimensional simulation models of a premolar tooth (enamel, dentine, pulp, periodontal ligament, cortical bone, and cancellous bone) and food particle were created. Food particles with elastic modulus of 2,000 and 10,000 MPa were used, respectively. The external displacement loading (5 μm) was gradually directed to the food particle surface for 1 and 0.1 s, respectively, to simulate the chewing of food particles. The displacement and stress on tooth structure and fluid flow in the dental pulp were selected as evaluation indices. The results show that masticating food with a high elastic modulus results in high stress and deformation in the tooth structure, causing faster dentinal fluid flow in the pulp in comparison with that obtained with soft food. In addition, fast chewing of hard food particles can induce faster fluid flow in the pulp, which may result in dental pain. FSI analysis is shown to be a useful tool for investigating dental biomechanics during food mastication. FSI simulation can be used to predict intrapulpal fluid flow in dental pulp; this information may provide the clinician with important concept in dental biomechanics during food mastication.

  3. Numerical investigation on liquid sheets interaction characteristics of liquid-liquid coaxial swirling jets in bipropellant thruster

    International Nuclear Information System (INIS)

    Ding, Jia-Wei; Li, Guo-Xiu; Yu, Yu-Song

    2016-01-01

    Highlights: • A LES-VOF model is conducted to simulate atomization of coaxial swirling jets. • Structure and flow field of coaxial swirling jets are investigated. • Merging process occurs at the nozzle exit and generates additional perturbation. • The Rayleigh mode instability dominates the breakup of ligaments. - Abstract: Spray atomization process of a liquid-liquid coaxial swirl injector in bipropellant thruster has been investigated using volume of fluid (VOF) method coupled with large eddy simulation methodology. With fine grid resolution, detailed flow field of interacted liquid sheet has been captured and analyzed. For coaxial swirling jet, static pressure drop in the region between the liquid sheets makes two liquid sheets to approach each other and merge. A strong pressure, velocity and turbulent fluctuations are calculated near the contact position of two coaxial jets. Simulation results indicate that additional perturbations are generated due to strong radial and axial shear effects between coaxial jets. Observation of droplet formation process reveals that the Rayleigh mode instability dominates the breakup of the ligament. Droplet diameter and distribution have been investigated quantitatively. The mean diameter of the coaxial jets is between that of the inner and the outer jets. Compared with the individual swirling jets, wider size distributions of droplets are produced in the coaxial jets.

  4. Investigation of the spatial structure and interactions of the genome at sub-kilobase-pair resolution using T2C.

    Science.gov (United States)

    Kolovos, Petros; Brouwer, Rutger W W; Kockx, Christel E M; Lesnussa, Michael; Kepper, Nick; Zuin, Jessica; Imam, A M Ali; van de Werken, Harmen J G; Wendt, Kerstin S; Knoch, Tobias A; van IJcken, Wilfred F J; Grosveld, Frank

    2018-03-01

    Chromosome conformation capture (3C) and its derivatives (e.g., 4C, 5C and Hi-C) are used to analyze the 3D organization of genomes. We recently developed targeted chromatin capture (T2C), an inexpensive method for studying the 3D organization of genomes, interactomes and structural changes associated with gene regulation, the cell cycle, and cell survival and development. Here, we present the protocol for T2C based on capture, describing all experimental steps and bio-informatic tools in full detail. T2C offers high resolution, a large dynamic interaction frequency range and a high signal-to-noise ratio. Its resolution is determined by the resulting fragment size of the chosen restriction enzyme, which can lead to sub-kilobase-pair resolution. T2C's high coverage allows the identification of the interactome of each individual DNA fragment, which makes binning of reads (often used in other methods) basically unnecessary. Notably, T2C requires low sequencing efforts. T2C also allows multiplexing of samples for the direct comparison of multiple samples. It can be used to study topologically associating domains (TADs), determining their position, shape, boundaries, and intra- and inter-domain interactions, as well as the composition of aggregated loops, interactions between nucleosomes, individual transcription factor binding sites, and promoters and enhancers. T2C can be performed by any investigator with basic skills in molecular biology techniques in ∼7-8 d. Data analysis requires basic expertise in bioinformatics and in Linux and Python environments.

  5. Global investigation of composition and interaction networks in gut microbiomes of individuals belonging to diverse geographies and age-groups.

    Science.gov (United States)

    Yadav, Deepak; Ghosh, Tarini Shankar; Mande, Sharmila S

    2016-01-01

    Factors like ethnicity, diet and age of an individual have been hypothesized to play a role in determining the makeup of gut microbiome. In order to investigate the gut microbiome structure as well as the inter-microbial associations present therein, we have performed a comprehensive global comparative profiling of the structure (composition, relative heterogeneity and diversity) and the inter-microbial networks in the gut microbiomes of 399 individuals of eight different nationalities. The study identified certain geography-specific trends with respect to composition, intra-group heterogeneity and diversity of the gut microbiomes. Interestingly, the gut microbial association/mutual-exlusion networks were observed to exhibit several cross-geography trends. It was seen that though the composition of gut microbiomes of the American and European individuals were similar, there were distinct patterns in their microbial interaction networks. Amongst European gut-microbiomes, the co-occurrence network obtained for the Danish population was observed to be most dense. Distinct patterns were also observed within Chinese, Japanese and Indian datasets. While performing an age-wise comparison, it was observed that the microbial interactions increased with the age of individuals. Furthermore, certain bacterial groups were identified to be present only in the older age groups. The trends observed in gut microbial networks could be due to the inherent differences in the diet of individuals belonging to different nationalities. For example, the higher number of microbial associations in the Danish population as compared to the Spanish population, may be attributed to the evenly distributed diet of the later. This is in line with previously reported findings which indicate an increase in functional interdependency of microbes in individuals with higher nutritional status. To summarise, the present study identifies geography and age specific patterns in the composition as well as

  6. Multispectroscopic and molecular modeling approach to investigate the interaction of diclofop-methyl enantiomers with human serum albumin

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Ping; Liu, Donghui; Li, Zhe; Shen, Zhigang; Wang, Peng [Department of Applied Chemistry, China Agricultural University, Beijing 100193 (China); Zhou, Meng [Business School, University of Bedfordshire, Luton LU1 3JU (United Kingdom); Zhou, Zhiqiang [Department of Applied Chemistry, China Agricultural University, Beijing 100193 (China); Zhu, Wentao, E-mail: wentaozhu@cau.edu.cn [Department of Applied Chemistry, China Agricultural University, Beijing 100193 (China)

    2014-11-15

    Pesticides and related environmental contaminants have always been threated to human health due to their intrinsic toxicity. In the context of this contribution, the interaction between diclofop-methyl (DM) enantiomers and human serum albumin (HSA) has been characterized by steady state and three-dimensional fluorescence, molecular modeling, circular dichroism (CD) and ultraviolet–visible (UV–vis) spectroscopy. The binding constants significantly showed the binding was enantioselective and HSA had higher affinity for S-DM. The thermodynamic parameters of the binding reaction (ΔG, ΔH and ΔS) clearly signified that hydrophobic effects and H-bonds contribute to the formation of DM-HSA complex. The alterations of protein secondary structure in the presence of DM enantiomers were confirmed by CD spectroscopy, UV–vis and three-dimensional fluorescence spectroscopy. In addition, both fluorescence probe study and molecular modeling simulation evidenced the binding of DM enantiomers to HSA primarily took place in subdomain IIIA (Sudlow's site II). This investigation highlights the binding mechanism, specific binding sites and binding region of DM enantiomers on human serum albumin at the first time. Besides, such task can provide important insight to the interaction of the physiological protein HSA with chiral aryloxyphenoxypropionate herbicides and give support to the human health risk assessment. - Highlights: • The binding of DM enantiomers to HSA was enantioselective. • HSA had higher affinity for S-DM than R-DM. • Hydrophobic effects and hydrogen bonds were involved in the DM-HSA interaction. • The binding of DM enantiomers to HSA primarily took place in Sudlow's site II. • DM enantiomers could alter the second structure of HSA.

  7. Multispectroscopic and molecular modeling approach to investigate the interaction of diclofop-methyl enantiomers with human serum albumin

    International Nuclear Information System (INIS)

    Zhang, Ping; Liu, Donghui; Li, Zhe; Shen, Zhigang; Wang, Peng; Zhou, Meng; Zhou, Zhiqiang; Zhu, Wentao

    2014-01-01

    Pesticides and related environmental contaminants have always been threated to human health due to their intrinsic toxicity. In the context of this contribution, the interaction between diclofop-methyl (DM) enantiomers and human serum albumin (HSA) has been characterized by steady state and three-dimensional fluorescence, molecular modeling, circular dichroism (CD) and ultraviolet–visible (UV–vis) spectroscopy. The binding constants significantly showed the binding was enantioselective and HSA had higher affinity for S-DM. The thermodynamic parameters of the binding reaction (ΔG, ΔH and ΔS) clearly signified that hydrophobic effects and H-bonds contribute to the formation of DM-HSA complex. The alterations of protein secondary structure in the presence of DM enantiomers were confirmed by CD spectroscopy, UV–vis and three-dimensional fluorescence spectroscopy. In addition, both fluorescence probe study and molecular modeling simulation evidenced the binding of DM enantiomers to HSA primarily took place in subdomain IIIA (Sudlow's site II). This investigation highlights the binding mechanism, specific binding sites and binding region of DM enantiomers on human serum albumin at the first time. Besides, such task can provide important insight to the interaction of the physiological protein HSA with chiral aryloxyphenoxypropionate herbicides and give support to the human health risk assessment. - Highlights: • The binding of DM enantiomers to HSA was enantioselective. • HSA had higher affinity for S-DM than R-DM. • Hydrophobic effects and hydrogen bonds were involved in the DM-HSA interaction. • The binding of DM enantiomers to HSA primarily took place in Sudlow's site II. • DM enantiomers could alter the second structure of HSA

  8. Investigating the spatio-temporal variability in groundwater and surface water interactions: a multi-technical approach

    Science.gov (United States)

    Unland, N. P.; Cartwright, I.; Andersen, M. S.; Rau, G. C.; Reed, J.; Gilfedder, B. S.; Atkinson, A. P.; Hofmann, H.

    2013-03-01

    The interaction between groundwater and surface water along the Tambo and Nicholson Rivers, southeast Australia, was investigated using 222Rn, Cl, differential flow gauging, head gradients, electrical conductivity (EC) and temperature profiling. Head gradients, temperature profiles, Cl concentrations and 222Rn activities all indicate higher groundwater fluxes to the Tambo River in areas of increased topographic variation where the potential to form large groundwater-surface water gradients is greater. Groundwater discharge to the Tambo River calculated by Cl mass balance was significantly lower (1.48 × 104 to 1.41 × 103 m3 day-1) than discharge estimated by 222Rn mass balance (5.35 × 105 to 9.56 × 103 m3 day-1) and differential flow gauging (5.41 × 105 to 6.30 × 103 m3 day-1). While groundwater sampling from the bank of the Tambo River was intended to account for the variability in groundwater chemistry associated with river-bank interaction, the spatial variability under which these interactions occurs remained unaccounted for, limiting the use of Cl as an effective tracer. Groundwater discharge to both the Tambo and Nicholson Rivers was the highest under high flow conditions in the days to weeks following significant rainfall, indicating that the rivers are well connected to a groundwater system that is responsive to rainfall. Groundwater constituted the lowest proportion of river discharge during times of increased rainfall that followed dry periods, while groundwater constituted the highest proportion of river discharge under baseflow conditions (21.4% of the Tambo in April 2010 and 18.9% of the Nicholson in September 2010).

  9. Investigating chaotic wake dynamics past a flapping airfoil and the role of vortex interactions behind the chaotic transition

    Science.gov (United States)

    Bose, Chandan; Sarkar, Sunetra

    2018-04-01

    The present study investigates the complex vortex interactions in two-dimensional flow-field behind a symmetric NACA0012 airfoil undergoing a prescribed periodic pitching-plunging motion in low Reynolds number regime. The flow-field transitions from periodic to chaotic through a quasi-periodic route as the plunge amplitude is gradually increased. This study unravels the role of the complex interactions that take place among the main vortex structures in making the unsteady flow-field transition from periodicity to chaos. The leading-edge separation plays a key role in providing the very first trigger for aperiodicity. Subsequent mechanisms like shredding, merging, splitting, and collision of vortices in the near-field that propagate and sustain the disturbance have also been followed and presented. These fundamental mechanisms are seen to give rise to spontaneous and irregular formation of new vortex couples at arbitrary locations, which are the primary agencies for sustaining chaos in the flow-field. The interactions have been studied for each dynamical state to understand the course of transition in the flow-field. The qualitative changes observed in the flow-field are manifestation of changes in the underlying dynamical system. The overall dynamics are established in the present study by means of robust quantitative measures derived from classical and non-classical tools from the dynamical system theory. As the present analysis involves a high fidelity multi-unknown system, non-classical dynamical tools such as recurrence-based time series methods are seen to be very efficient. Moreover, their application is novel in the context of pitch-plunge flapping flight.

  10. Investigations of the structure and electromagnetic interactions of few-body systems. Progress report, September 1, 1983-August 31, 1984

    International Nuclear Information System (INIS)

    Harper, E.P.; Lehman, D.R.; Prats, F.

    1984-01-01

    The George Washington University nuclear theory group proposes to conduct investigations of the structure and electromagnetic interactions of few-body systems. The structural properties of the very light nuclei are examined by developing theoretical models that begin from the basic interactions between the constituents and that are solved exactly (numerically), i.e., full three or four-body dynamics. Such models are then used in an attempt to understand the details of the strong and electromagnetic interactions of the few-nucleon nuclei after the basic underlying reaction mechanisms are understood with simpler models. Examples of specific work proposed are the following: (1) From exact four-body dynamics, derive the equations that will permit calculation of the 4 He→ 3 He+n and 4 He→d+d asymptotic normalization constants; (2) Develop a unified picture of the p + d → 3 He = γ, p + d → 3 He = π 0 , p + d → 3 H + π + reactions at intermediate energies; (3) Calculate the elastic and inelastic (1 + →0 + ) form factors for 6 Li with three-body (αNN) wave functions; (4) Calculate static properties (RMS radius, magnetic moment, and quadrupole moment) of 6 Li with three-body wave functions; and (5) Develop the theory for the coincidence reactions 6 Li(p,2p)nα, 6 Li(e,e'p)nα, and 6 Li(e,e'd)α. It is anticipated that these efforts will expand the frontiers of our knowledge about few-body nuclei

  11. Investigation of land ice-ocean interaction with a fully coupled ice-ocean model: 1. Model description and behavior

    Science.gov (United States)

    Goldberg, D. N.; Little, C. M.; Sergienko, O. V.; Gnanadesikan, A.; Hallberg, R.; Oppenheimer, M.

    2012-06-01

    Antarctic ice shelves interact closely with the ocean cavities beneath them, with ice shelf geometry influencing ocean cavity circulation, and heat from the ocean driving changes in the ice shelves, as well as the grounded ice streams that feed them. We present a new coupled model of an ice stream-ice shelf-ocean system that is used to study this interaction. The model is capable of representing a moving grounding line and dynamically responding ocean circulation within the ice shelf cavity. Idealized experiments designed to investigate the response of the coupled system to instantaneous increases in ocean temperature show ice-ocean system responses on multiple timescales. Melt rates and ice shelf basal slopes near the grounding line adjust in 1-2 years, and downstream advection of the resulting ice shelf thinning takes place on decadal timescales. Retreat of the grounding line and adjustment of grounded ice takes place on a much longer timescale, and the system takes several centuries to reach a new steady state. During this slow retreat, and in the absence of either an upward-or downward-sloping bed or long-term trends in ocean heat content, the ice shelf and melt rates maintain a characteristic pattern relative to the grounding line.

  12. Exploring story grammar structure in the book reading interactions of African American mothers and their preschool children: a pilot investigation

    Science.gov (United States)

    Harris, Yvette R.; Rothstein, Susan E.

    2014-01-01

    The aim of this investigation was to identify the book reading behaviors and book reading styles of middle class African American mothers engaged in a shared book reading activity with their preschool children. To this end, the mothers and their children were videotaped reading one of three books, Julius, Grandfather and I, or Somewhere in Africa. Both maternal and child behaviors were coded for the frequency of occurrence of story grammar elements contained in their stories and maternal behaviors were also coded for their use of narrative eliciting strategies. In addition, mothers were queried about the quality and quantity of book reading/story telling interactions in the home environment. The results suggest that there is a great deal of individual variation in how mothers use the story grammar elements and narrative eliciting strategies to engage their children in a shared book reading activity. Findings are discussed in terms of suggestions for additional research and practical applications are offered on ways to optimally engage African American preschool children and African American families from diverse socioeconomic backgrounds in shared book reading interactions. PMID:24926276

  13. Impact of Service Extension and Services Interaction on B2b Sales: A Temporal Investigation Into Fuels’ Category

    Directory of Open Access Journals (Sweden)

    Marcos Inacio Severo de Almeida

    2014-11-01

    Full Text Available The scope of services marketing has a theoretical and empirical gap that refers to the impact of the provision of services on sales. This research opportunity is routinely highlighted in theoretical proposals such as the Augmented Service Offering (ASO, Innovation in Services (IS and Service Dominant Logic (SDL, which require alternative measures of combinations of product and service and the possible effects that these arrangements may cause. This article aims to investigate the impact of the extension and the interaction of services on Business to Business (B2B sales. Three hypotheses were tested with data from the fuel sector. Research was operationalized based on secondary data, ceded by an energy company, which comprise sales of regular and premium gasoline of this company to 19 gas stations along 27 months, totaling 513 observations. The study involved the construction of a generalized linear model with balanced, long and random effects panel structure. The three hypotheses were supported, identifying how the extensive principle of service contributes to the increased performance and conclude the existence of a direct, linear and positive impact of extension and interaction of services on B2B sales.

  14. Theoretical investigation of interaction of sorbitol molecules with alcohol dehydrogenase in aqueous solution using molecular dynamics simulation.

    Science.gov (United States)

    Bahrami, Homayoon; Zahedi, Mansour; Moosavi-Movahedi, Ali Akbar; Azizian, Homa; Amanlou, Massoud

    2011-03-01

    The nature of protein-sorbitol-water interaction in solution at the molecular level, has been investigated using molecular dynamics simulations. In order to do this task, two molecular dynamics simulations of the protein ADH in solution at room temperature have been carried out, one in the presence (about 0.9 M) and another in the absence of sorbitol. The results show that the sorbitol molecules cluster and move toward the protein, and form hydrogen bonds with protein. Also, coating by sorbitol reduces the conformational fluctuations of the protein compared to the sorbitol-free system. Thus, it is concluded that at moderate concentration of sorbitol solution, sorbitol molecules interact with ADH via many H-bonds that prevent the protein folding. In fact, at more concentrated sorbitol solution, water and sorbitol molecules accumulate around the protein surface and form a continuous space-filling network to reduce the protein flexibility. Namely, in such solution, sorbitol molecules can stabilize a misfolded state of ADH, and prevent the protein from folding to its native structure.

  15. A multilevel cross-cultural examination of role overload and organizational commitment: investigating the interactive effects of context.

    Science.gov (United States)

    Fisher, David M

    2014-07-01

    Considering the influential nature of context, the current investigation examined whether the relationship between role overload and organizational commitment was affected by various contextual factors. Drawing on the occupational stress literature, structural empowerment and cooperative climate were examined as factors that would mitigate the negative effects of role overload on organizational commitment. In addition, national culture was examined to determine whether empowerment and cooperative climate had consistent moderating effects across cultures. The relationships among these variables were examined using hierarchical linear modeling in a sample of 6,264 employees working at a multinational organization in 337 different work locations across 18 countries. Results suggested that the negative effect of role overload on organizational commitment did not vary as a function of culture in the current sample, but empowerment and cooperative climate had a moderating influence on this relationship. Furthermore, a 3-way interaction was observed between the cultural variable of power distance, empowerment, and role overload in predicting organizational commitment, suggesting that factors that serve to mitigate the negative effects of role overload in one culture may be ineffectual in another. This 3-way interaction was observed regardless of whether Hofstede's (2001) cultural value indices were used or the cultural practice scores from the Global Leadership and Organizational Behavior Effectiveness (GLOBE) project (R. J. House, Hanges, Javidan, Dorfman, & Gupta, 2004).

  16. Investigating the effect of the reality gap on the human psychophysiological state in the context of human-swarm interaction

    Directory of Open Access Journals (Sweden)

    Gaëtan Podevijn

    2016-09-01

    Full Text Available The reality gap is the discrepancy between simulation and reality—the same behavioural algorithm results in different robot swarm behaviours in simulation and in reality (with real robots. In this paper, we study the effect of the reality gap on the psychophysiological reactions of humans interacting with a robot swarm. We compare the psychophysiological reactions of 28 participants interacting with a simulated robot swarm and with a real (non-simulated robot swarm. Our results show that a real robot swarm provokes stronger reactions in our participants than a simulated robot swarm. We also investigate how to mitigate the effect of the reality gap (i.e., how to diminish the difference in the psychophysiological reactions between reality and simulation by comparing psychophysiological reactions in simulation displayed on a computer screen and psychophysiological reactions in simulation displayed in virtual reality. Our results show that our participants tend to have stronger psychophysiological reactions in simulation displayed in virtual reality (suggesting a potential way of diminishing the effect of the reality gap.

  17. Tensiometric investigation of the interaction and phase separation in a polymer mixture–ionic surfactant ternary system

    Directory of Open Access Journals (Sweden)

    JAROSLAV M. KATONA

    2010-06-01

    Full Text Available The interaction and phase separation in a ternary mixture composed of hydroxypropyl methyl cellulose (HPMC, sodium carboxymethyl cellulose (NaCMC, and sodium dodecylsulfate (SDS were investigated by tensiometry. Surface tension measurements of binary mixtures (0.7 % HPMC and 0.00–2.00 % SDS and of ternary mixtures (0.7 % HPMC, 0.3 % NaCMC, and 0.00–2.00 % SDS were performed. The measurements indicated interaction between HPMC and SDS, which resulted in HPMC–SDS complex formation. The critical association concentration, CAC, and polymer saturation point, PSP, were determined. Phase separation of ternary HPMC/SDS/NaCMC mixtures occurs at SDS concentration > CAC, i.e., when the HPMC–SDS complex is formed. The volume of the coacervate increases with increasing SDS concentration, and at SDS concentrations > 1.00 %, the coacervate vanishes. The surface tensions (s of ternary HPMC/SDS/NaCMC mixtures in the pre-coacervation region and at the onset of the coacervation region are similar to the σ of the corresponding binary HPMC–SDS mixtures, while in the coacervation and post coacervation region, they are close to the s of the corresponding SDS solutions

  18. Exploring story grammar structure in the book reading interactions of African American mothers and their preschool children: a pilot investigation.

    Science.gov (United States)

    Harris, Yvette R; Rothstein, Susan E

    2014-01-01

    The aim of this investigation was to identify the book reading behaviors and book reading styles of middle class African American mothers engaged in a shared book reading activity with their preschool children. To this end, the mothers and their children were videotaped reading one of three books, Julius, Grandfather and I, or Somewhere in Africa. Both maternal and child behaviors were coded for the frequency of occurrence of story grammar elements contained in their stories and maternal behaviors were also coded for their use of narrative eliciting strategies. In addition, mothers were queried about the quality and quantity of book reading/story telling interactions in the home environment. The results suggest that there is a great deal of individual variation in how mothers use the story grammar elements and narrative eliciting strategies to engage their children in a shared book reading activity. Findings are discussed in terms of suggestions for additional research and practical applications are offered on ways to optimally engage African American preschool children and African American families from diverse socioeconomic backgrounds in shared book reading interactions.

  19. Groundwater-surface water interactions across scales in a boreal landscape investigated using a numerical modelling approach

    Science.gov (United States)

    Jutebring Sterte, Elin; Johansson, Emma; Sjöberg, Ylva; Huseby Karlsen, Reinert; Laudon, Hjalmar

    2018-05-01

    Groundwater and surface-water interactions are regulated by catchment characteristics and complex inter- and intra-annual variations in climatic conditions that are not yet fully understood. Our objective was to investigate the influence of catchment characteristics and freeze-thaw processes on surface and groundwater interactions in a boreal landscape, the Krycklan catchment in Sweden. We used a numerical modelling approach and sub-catchment evaluation method to identify and evaluate fundamental catchment characteristics and processes. The model reproduced observed stream discharge patterns of the 14 sub-catchments and the dynamics of the 15 groundwater wells with an average accumulated discharge error of 1% (15% standard deviation) and an average groundwater-level mean error of 0.1 m (0.23 m standard deviation). We show how peatland characteristics dampen the effect of intense rain, and how soil freeze-thaw processes regulate surface and groundwater partitioning during snowmelt. With these results, we demonstrate the importance of defining, understanding and quantifying the role of landscape heterogeneity and sub-catchment characteristics for accurately representing catchment hydrological functioning.

  20. DSC and EPR investigations on effects of cholesterol component on molecular interactions between paclitaxel and phospholipid within lipid bilayer membrane.

    Science.gov (United States)

    Zhao, Lingyun; Feng, Si-Shen; Kocherginsky, Nikolai; Kostetski, Iouri

    2007-06-29

    Differential scanning calorimetry (DSC) and electron paramagnetic resonance spectroscopy (EPR) were applied to investigate effects of cholesterol component on molecular interactions between paclitaxel, which is one of the best antineoplastic agents found from nature, and dipalmitoylphosphatidylcholine (DPPC) within lipid bilayer vesicles (liposomes), which could also be used as a model cell membrane. DSC analysis showed that incorporation of paclitaxel into the DPPC bilayer causes a reduction in the cooperativity of bilayer phase transition, leading to a looser and more flexible bilayer structure. Including cholesterol component in the DPPC/paclitaxel mixed bilayer can facilitate the molecular interaction between paclitaxel and lipid and make the tertiary system more stable. EPR analysis demonstrated that both of paclitaxel and cholesterol have fluidization effect on the DPPC bilayer membranes although cholesterol has more significant effect than paclitaxel does. The reduction kinetics of nitroxides by ascorbic acid showed that paclitaxel can inhibit the reaction by blocking the diffusion of either the ascorbic acid or nitroxide molecules since the reaction is tested to be a first order one. Cholesterol can remarkably increase the reduction reaction speed. This research may provide useful information for optimizing liposomal formulation of the drug as well as for understanding the pharmacology of paclitaxel.

  1. Investigating the validity and usability of an interactive computer programme for assessing competence in telephone-based mental health triage.

    Science.gov (United States)

    Sands, Natisha; Elsom, Stephen; Keppich-Arnold, Sandra; Henderson, Kathryn; King, Peter; Bourke-Finn, Karen; Brunning, Debra

    2016-02-01

    Telephone-based mental health triage services are frontline health-care providers that operate 24/7 to facilitate access to psychiatric assessment and intervention for people requiring assistance with a mental health problem. The mental health triage clinical role is complex, and the populations triage serves are typically high risk; yet to date, no evidence-based methods have been available to assess clinician competence to practice telephone-based mental health triage. The present study reports the findings of a study that investigated the validity and usability of the Mental Health Triage Competency Assessment Tool, an evidence-based, interactive computer programme designed to assist clinicians in developing and assessing competence to practice telephone-based mental health triage. © 2015 Australian College of Mental Health Nurses Inc.

  2. Modeling techniques and fluorescence imaging investigation of the interactions of an anthraquinone derivative with HSA and ctDNA

    Science.gov (United States)

    Fu, Zheng; Cui, Yanrui; Cui, Fengling; Zhang, Guisheng

    2016-01-01

    A new anthraquinone derivative (AORha) was synthesized. Its interactions with human serum albumin (HSA) and calf thymus DNA (ctDNA) were investigated by fluorescence spectroscopy, UV-visible absorption spectroscopy and molecular modeling. Cell viability assay and cell imaging experiment were performed using cervical cancer cells (HepG2 cells). The fluorescence results revealed that the quenching mechanism was static quenching. At different temperatures (290, 300, 310 K), the binding constants (K) and the number of binding sites (n) were determined, respectively. The positive ΔH and ΔS values showed that the binding of AORha with HSA was hydrophobic force, which was identical with the molecular docking result. Studying the fluorescence spectra, UV spectra and molecular modeling also verified that the binding mode of AORha and ctDNA might be intercalative. When HepG2 cells were treated with AORha, the fluorescence became brighter and turned green, which could be used for bioimaging.

  3. Combined molecular docking and multi-spectroscopic investigation on the interaction between Eosin B and human serum albumin

    Energy Technology Data Exchange (ETDEWEB)

    Yang Qing; Zhou Ximin [National Key Laboratory of Applied Organic Chemistry, Lanzhou University, Lanzhou 730000 (China); Department of Chemistry, Lanzhou University, Lanzhou 730000 (China); Chen Xingguo, E-mail: chenxg@lzu.edu.c [National Key Laboratory of Applied Organic Chemistry, Lanzhou University, Lanzhou 730000 (China); Department of Chemistry, Lanzhou University, Lanzhou 730000 (China)

    2011-04-15

    The binding of Eosin B to human serum albumin (HSA) was studied using molecular docking, fluorescence, UV-vis, circular dichroism (CD) and Fourier transform infrared (FT-IR) spectroscopy. The mechanism of interaction between Eosin B and HSA in terms of the binding parameters, the thermodynamic functions and the effect of Eosin B on the conformation of HSA were investigated. Protein-ligand docking study indicated that Eosin B bound to residues located in the subdomain IIA of HSA and Eosin B-HSA complex was stabilized by hydrophobic force and hydrogen bonding. In addition, fluorescence data revealed that Eosin B strongly quenched the intrinsic fluorescence of HSA through a static quenching procedure. Furthermore, alteration of the secondary structure of HSA in the presence of the dye was conformed by UV-vis, FT-IR and CD spectroscopy.

  4. Combined molecular docking and multi-spectroscopic investigation on the interaction between Eosin B and human serum albumin

    International Nuclear Information System (INIS)

    Yang Qing; Zhou Ximin; Chen Xingguo

    2011-01-01

    The binding of Eosin B to human serum albumin (HSA) was studied using molecular docking, fluorescence, UV-vis, circular dichroism (CD) and Fourier transform infrared (FT-IR) spectroscopy. The mechanism of interaction between Eosin B and HSA in terms of the binding parameters, the thermodynamic functions and the effect of Eosin B on the conformation of HSA were investigated. Protein-ligand docking study indicated that Eosin B bound to residues located in the subdomain IIA of HSA and Eosin B-HSA complex was stabilized by hydrophobic force and hydrogen bonding. In addition, fluorescence data revealed that Eosin B strongly quenched the intrinsic fluorescence of HSA through a static quenching procedure. Furthermore, alteration of the secondary structure of HSA in the presence of the dye was conformed by UV-vis, FT-IR and CD spectroscopy.

  5. Investigating organic multilayers by spectroscopic ellipsometry: specific and non-specific interactions of polyhistidine with NTA self-assembled monolayers

    Directory of Open Access Journals (Sweden)

    Ilaria Solano

    2016-04-01

    Full Text Available Background: A versatile strategy for protein–surface coupling in biochips exploits the affinity for polyhistidine of the nitrilotriacetic acid (NTA group loaded with Ni(II. Methods based on optical reflectivity measurements such as spectroscopic ellipsometry (SE allow for label-free, non-invasive monitoring of molecule adsorption/desorption at surfaces.Results: This paper describes a SE study about the interaction of hexahistidine (His6 on gold substrates functionalized with a thiolate self-assembled monolayer bearing the NTA end group. By systematically applying the difference spectra method, which emphasizes the small changes of the ellipsometry spectral response upon the nanoscale thickening/thinning of the molecular film, we characterized different steps of the process such as the NTA-functionalization of Au, the adsorption of the His6 layer and its eventual displacement after reaction with competitive ligands. The films were investigated in liquid, and ex situ in ambient air. The SE investigation has been complemented by AFM measurements based on nanolithography methods (nanografting mode.Conclusion: Our approach to the SE data, exploiting the full spectroscopic potential of the method and basic optical models, was able to provide a picture of the variation of the film thickness along the process. The combination of δΔi+1,i(λ, δΨi+1,i(λ (layer-addition mode and δΔ†i',i+1(λ, δΨ†i',i+1(λ (layer-removal mode difference spectra allowed us to clearly disentangle the adsorption of His6 on the Ni-free NTA layer, due to non specific interactions, from the formation of a neatly thicker His6 film induced by the Ni(II-loading of the NTA SAM.

  6. Investigation on the chirality of positrons from 22Na decay and their asymmetrical interactions with D-, L- and DL-alanines

    International Nuclear Information System (INIS)

    Conte, E.; Pieralice, M.

    1987-01-01

    An investigation on the chirality of the positrons from 22 Na and on their asymmetrical interactions with D-, L-, and DL-alanines was carried out. By using nuclear gamma-spectroscopy, the asymmetrical interaction was proved to be induced with a distinguishably asymmetrical effect

  7. EPRI [Electric Power Research Institute]/ANL investigations of MCCI [molten core-concrete interactions] phenomena and aerosol release

    International Nuclear Information System (INIS)

    Spencer, B.W.; Gunther, W.H.; Armstrong, D.R.; Thompson, D.H.; Chasanov, M.G.; Sehgal, B.R.

    1986-01-01

    A program of laboratory investigations has been undertaken at Argonne National Laboratory, under sponsorship of the Electric Power Research Institute, in which the interaction between molten core materials and concrete is studied, with particular emphasis on measurements of the magnitude and chemical species present in the aerosol releases. The experiment technique used in these investigations is direct electrical heating in which a high electric current is passed through the core debris to sustain the high-temperature melt condition for potentially long periods of time. In the scoping experiments completed to date, this technique has been successfully used for corium masses of 5 and 20 kg, generating an internal heating rate of 1 kw/kg and achieving melt temperatures of 2000C. Experiments have been performed both with a concrete base and also with a cooled base with the addition of H 2 /CO sparging gas to represent chemical processes in a stratified layer. An aerosol and gas sampling system is being used to collect aerosol samples. Test results are now becoming available including masses of aerosols, x-ray diffraction, and scanning electron microscope analyses

  8. Particle Pusher for the Investigation of Wave-Particle Interactions in the Magnetic Centrifugal Mass Filter (MCMF)

    Science.gov (United States)

    Kulp-McDowall, Taylor; Ochs, Ian; Fisch, Nathaniel

    2016-10-01

    A particle pusher was constructed in MATLAB using a fourth order Runge-Kutta algorithm to investigate the wave-particle interactions within theoretical models of the MCMF. The model simplified to a radial electric field and a magnetic field focused in the z direction. Studies on an average velocity calculation were conducted in order to test the program's behavior in the large radius limit. The results verified that the particle pusher was behaving correctly. Waves were then simulated on the rotating particles with a periodic divergenceless perturbation in the Bz component of the magnetic field. Preliminary runs indicate an agreement of the particle's motion with analytical predictions-ie. cyclic contractions of the doubly rotating particle's gyroradius.The next stage of the project involves the implementation of particle collisions and turbulence within the particle pusher in order to increase its accuracy and applicability. This will allow for a further investigation of the alpha channeling electrode replacement thesis first proposed by Abraham Fetterman in 2011. Made possible by Grants from the Princeton Environmental Institute (PEI) and the Program for Plasma Science and Technology (PPST).

  9. Investigation of the interaction of high intensity laser light with solids and hot plasma using X-ray spectroscopic technique

    International Nuclear Information System (INIS)

    Zigler, A.

    1978-06-01

    This work investigates the properties of high power laser-produced plasmas by developing and applying x-ray spectroscopic methods which utilize spatial resolution. The shadow techniques which were developed in this work yield a high spatial resolution of 5-15μm together with an adequate X-ray spectral resolution for single shots of laser power flux of 2.10 13 W/cm -2 . The intensity distribution in the source is calculated from the partial shadow by numerical differentiation. The main advantage of the present method is the ability to obtain spatial information simultaneously for strong and weak spectral lines for a single shot of medium power laser. Plasma parameters were derived from H-like and He-like lines and their inner-shell satellites, which were obtained from Mg, Al and Si targets. Using shadow techniques, the sizes of the emitting regions of the various spectral lines were measured; the spatial variation of the ionization stage, the electron temperature and density were investigated. A constant electron temperature of (250+-50)eV and electron density scale-length of about 50μm were derived for an expanding plasma. An experimental investigation of the possible origin and the mechanisms responsible for the Ksub(α) radiation in laser-produced plasma was carried out. It is shown that the Ksub(α) radiation was generated by fast suprathermal electrons and originated inside the target behind the interaction zone of the shock and heat waves. Energy penetration depth and hot plasma expansion were tested by using multilayer targets, thin foils and achieving a two-dimensional spatially resolved X-ray Al spectrum. (B.G.)

  10. Investigation of plasma interaction with carbon based and mixed materials related to next-generation fusion devices

    International Nuclear Information System (INIS)

    Guseva, M.I.; Martynenko, Yu.V.; Korshunov, S.N.

    2003-01-01

    Carbon-carbon composites, tungsten and beryllium are considered at present as candidate-materials for International Thermonuclear Experimental Reactor (ITER). The presence of various materials, as the divertor and the first wall components, will unavoidably result in the formation of mixed layers on the surfaces of plasma facing components. In this review, processes of plasma interaction with these materials and layers formed by mixing of the materials are considered. Mixed W-Be and W-C layers were prepared by deposition of two species atoms upon a substrate under simultaneous sputtering of two targets by 20 keV Ar + -ions. The thickness of the deposited mixed layers was 100-500 nm. The most important processes investigated here are: a) erosion at threshold energies and at various temperatures, b) erosion at plasma disruption, c) surface modification at normal operation regime and disruption, d) the influence of the surface modification on material erosion, e) erosion product formation at plasma disruption (dust creation), f) hydrogen isotopes retention in materials. An experimental method of determination of sputtering yield under ion bombardment in the near-threshold energy range has been developed. The method is based on the use of special regimes of field ion microscopic analysis. The method has been used for measurement of the sputtering yield of C-C composite, technically pure tungsten, tungsten oxide and mixed W-C layer on the tungsten by deuterium ions. The energy dependences of the sputtering yield of those materials by deuterium ions at energies ranging from 10 to 500 eV was investigated. Temperature dependences of pure and B-doped C-C composites erosion by deuterium ions were investigated. Material erosion was studied in a steady state plasma at the LENTA facility with parameters close to those expected at normal operation of ITER, and in the MKT plasma accelerator simulating plasma disruption. Surface modifications of graphite materials and tungsten

  11. Interactions between 4-(2-dimethylaminoethyloxy)-N-octadecyl-1,8-naphthalimide and serum albumins: Investigation by spectroscopic approach

    Energy Technology Data Exchange (ETDEWEB)

    Sun Yang; Wei Song [School of Chemical Engineering, Northwest University, No. 229 Taibai North Road, Xi' an, Shaanxi 710069 (China); Zhao Yingyong [Biomedicine Key Laboratory of Shaanxi Province, Northwest University, No. 229 Taibai North Road, Xi' an, Shaanxi 710069 (China); Hu Xiaoyun, E-mail: hxy3275@nwu.edu.cn [Department of Physics, Northwest University, No. 229 Taibai North Road, Xi' an, Shaanxi 710069 (China); Fan Jun, E-mail: fanjun@nwu.edu.cn [School of Chemical Engineering, Northwest University, No. 229 Taibai North Road, Xi' an, Shaanxi 710069 (China)

    2012-04-15

    detection limit (3{sigma}) for HSA was 1.12 Multiplication-Sign 10{sup -10} M, for BSA it was 0.92 Multiplication-Sign 10{sup -10} M and for EA it was 4.33 Multiplication-Sign 10{sup -10} M. The effect of metal cations on the fluorescence spectra of DON in ethanol was also investigated. The method has been applied to detect the total proteins in human serum samples and the results were in good agreement with those reported by the hospital. - Highlights: Black-Right-Pointing-Pointer 4-(2-Dimethylaminoethyloxy)-N-octadecyl-1,8-naphthalimide (DON) was synthesized. Black-Right-Pointing-Pointer Effect of solvents on spectral characteristic of DON was investigated. Black-Right-Pointing-Pointer Interactions of DON with serum albumin were studied by spectral method. Black-Right-Pointing-Pointer A fluorometric method for determination of protein was developed.

  12. Interactions between 4-(2-dimethylaminoethyloxy)-N-octadecyl-1,8-naphthalimide and serum albumins: Investigation by spectroscopic approach

    International Nuclear Information System (INIS)

    Sun Yang; Wei Song; Zhao Yingyong; Hu Xiaoyun; Fan Jun

    2012-01-01

    10 M and for EA it was 4.33×10 −10 M. The effect of metal cations on the fluorescence spectra of DON in ethanol was also investigated. The method has been applied to detect the total proteins in human serum samples and the results were in good agreement with those reported by the hospital. - Highlights: ► 4-(2-Dimethylaminoethyloxy)-N-octadecyl-1,8-naphthalimide (DON) was synthesized. ► Effect of solvents on spectral characteristic of DON was investigated. ► Interactions of DON with serum albumin were studied by spectral method. ► A fluorometric method for determination of protein was developed.

  13. Numerical and experimental investigations on the interaction of light wire-array Z-pinches with embedded heavy foam converters

    Energy Technology Data Exchange (ETDEWEB)

    Xiao, Delong; Ding, Ning; Sun, Shunkai [Institute of Applied Physics and Computational Mathematics, Beijing 100088 (China); Ye, Fan; Ning, Jiamin; Hu, Qingyuan; Chen, Faxin; Qin, Yi; Xu, Rongkun; Li, Zhenghong [Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621900 (China)

    2014-04-15

    The interaction of a light tungsten wire-array Z-pinch with an embedded heavy foam converter, whose mass ratio is typically less than 0.16, is numerically analyzed and experimentally investigated on the 1.3 MA “QiangGuang I” facility. Computational results show that this implosion process can be divided into three stages: acceleration of the tungsten wire-array plasma, collision, and stagnation. The tungsten plasma is accelerated to a high speed by the J × B force and interacts weakly with the foam plasma in the first stage. Strong energy conversions take place in the second collision stage. When the high speed tungsten plasma impacts on the foam converter, the plasma is thermalized and a radial radiation peak is produced. Meanwhile, a shock wave is generated due to the collision. After the shock rebounds from the axis and meets the W/Foam boundary, the plasma stagnates and the second radial radiation peak appears. The collision and stagnation processes were observed and the two-peak radial radiation pulse was produced in experiments. Increasing the wire-array radius from 4 mm to 6 mm, the kinetic energy of the tungsten plasma is increased, causing a stronger thermalization and generating a higher first radiation peak. Experimental results also showed a higher ratio of the first peak to the second peak in the case of larger wire-array radius. If we add a thin CH film cover onto the surface of the embedded foam converter, the first radiation peak will be hardly changed, because the acceleration of the tungsten plasma is not evidently affected by the film cover. However, the second radiation peak decreases remarkably due to the large load mass and the corresponding weak compression.

  14. Numerical Investigation of the Interaction between Mainstream and Tip Shroud Leakage Flow in a 2-Stage Low Pressure Turbine

    Science.gov (United States)

    Jia, Wei; Liu, Huoxing

    2014-06-01

    The pressing demand for future advanced gas turbine requires to identify the losses in a turbine and to understand the physical mechanisms producing them. In low pressure turbines with shrouded blades, a large portion of these losses is generated by tip shroud leakage flow and associated interaction. For this reason, shroud leakage losses are generally grouped into the losses of leakage flow itself and the losses caused by the interaction between leakage flow and mainstream. In order to evaluate the influence of shroud leakage flow and related losses on turbine performance, computational investigations for a 2-stage low pressure turbine is presented and discussed in this paper. Three dimensional steady multistage calculations using mixing plane approach were performed including detailed tip shroud geometry. Results showed that turbines with shrouded blades have an obvious advantage over unshrouded ones in terms of aerodynamic performance. A loss mechanism breakdown analysis demonstrated that the leakage loss is the main contributor in the first stage while mixing loss dominates in the second stage. Due to the blade-to-blade pressure gradient, both inlet and exit cavity present non-uniform leakage injection and extraction. The flow in the exit cavity is filled with cavity vortex, leakage jet attached to the cavity wall and recirculation zone induced by main flow ingestion. Furthermore, radial gap and exit cavity size of tip shroud have a major effect on the yaw angle near the tip region in the main flow. Therefore, a full calculation of shroud leakage flow is necessary in turbine performance analysis and the shroud geometric features need to be considered during turbine design process.

  15. Investigation of nanoscopic free volume and interfacial interaction in an epoxy resin/modified clay nanocomposite using positron annihilation spectroscopy.

    Science.gov (United States)

    Patil, Pushkar N; Sudarshan, Kathi; Sharma, Sandeep K; Maheshwari, Priya; Rath, Sangram K; Patri, Manoranjan; Pujari, Pradeep K

    2012-12-07

    Epoxy/clay nanocomposites are synthesized using clay modified with the organic modifier N,N-dimethyl benzyl hydrogenated tallow quaternary ammonium salt (Cloisite 10A). The purpose is to investigate the influence of the clay concentration on the nanostructure, mainly on the free-volume properties and the interfacial interactions, of the epoxy/clay nanocomposite. Nanocomposites having 1, 3, 5 and 7.5 wt. % clay concentrations are prepared using the solvent-casting method. The dispersion of clay silicate layers and the morphologies of the fractured surfaces in the nanocomposites are studied using X-ray diffraction (XRD) and scanning electron microscopy (SEM), respectively. The observed XRD patterns reveal an exfoliated clay structure in the nanocomposite with the lowest clay concentration (≤1 wt. %). The ortho-positronium lifetime (τ(3)), a measure of the free-volume size, as well as the fractional free volume (f(v)) are seen to decrease in the nanocomposites as compared to pristine epoxy. The intensity of free positron annihilation (I(2)), an index of the epoxy-clay interaction, decreases with the addition of clay (1 wt. %) but increases linearly at higher clay concentrations. Positron age-momentum correlation measurements are also carried out to elucidate the positron/positronium states in pristine epoxy and in the nanocomposites. The results suggest that in the case of the nanocomposite with the studied lowest clay concentration (1 wt. %), free positrons are primarily localized in the epoxy-clay interfaces, whereas at higher clay concentrations, annihilation takes place from the intercalated clay layers. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. The Arabidopsis thaliana-Alternaria brassicicola pathosystem: A model interaction for investigating seed transmission of necrotrophic fungi

    Directory of Open Access Journals (Sweden)

    Pochon Stephanie

    2012-05-01

    of plant-pathogen interactions during the reproductive phase. We demonstrated that it provides an excellent system for investigating the impact of different fungal or plant mutations on the seed transmission process and therefore paves the way towards future high-throughput screening of both Arabidopsis and fungal mutant.

  17. A quantum dot-immunofluorescent labeling method to investigate the interactions between a crinivirus and its whitefly vector

    Directory of Open Access Journals (Sweden)

    James C. K. Ng

    2013-04-01

    Full Text Available Successful vector-mediated plant virus transmission entails an intricate but poorly understood interplay of interactions among virus, vector, and plant. The complexity of interactions requires continually improving/evaluating tools and methods for investigating the determinants that are central to mediating virus transmission. A recent study using an organic fluorophore (Alexa Fluor-based immunofluorescent localization assay demonstrated that specific retention of Lettuce infectious yellows virus (LIYV virions in the anterior foregut or cibarium of its whitefly vector is required for virus transmission. Continuous exposure of organic fluorophore to high excitation light intensity can result in diminished or loss of signals, potentially confounding the identification of important interactions associated with virus transmission. This limitation can be circumvented by incorporation of photostable fluorescent nanocrystals, such as quantum dots (QDs, into the assay. We have developed and evaluated a QD-immunofluorescent labeling method for the in vitro and in situ localization of LIYV virions based on the recognition specificity of streptavidin-conjugated QD605 (S-QD605 for biotin-conjugated anti-LIYV IgG (B-αIgG. IgG biotinylation was verified in a blot overlay assay by probing SDS-PAGE separated B-αIgG with S-QD605. Immunoblot analyses of LIYV using B-αIgG and S-QD605 resulted in a virus detection limit comparable to that of DAS-ELISA. In membrane feeding experiments, QD signals were observed in the anterior foregut or cibarium of virion-fed whitefly vectors but absent in those of virion-fed whitefly non-vectors. Specific virion retention in whitefly vectors corresponded with successful virus transmission. A fluorescence photobleaching assay of viruliferous whiteflies fed B-αIgG and S-QD605 vs. those fed anti-LIYV IgG and Alexa Fluor 488-conjugated IgG revealed that QD signal was stable and deteriorated ∼7 to 8 fold slower than that of Alexa

  18. A microPIXE investigation of the interaction of cells of Schizosaccharomyces pombe with the culture medium

    Energy Technology Data Exchange (ETDEWEB)

    Rombouts, P.M.M. [Ion Beam Centre, Advanced Technology Institute, School of Electronics and Physical Sciences, University of Surrey, Guildford GU2 7XH (United Kingdom); Gomez-Morilla, I. [Ion Beam Centre, Advanced Technology Institute, School of Electronics and Physical Sciences, University of Surrey, Guildford GU2 7XH (United Kingdom); Grime, G.W. [Ion Beam Centre, Advanced Technology Institute, School of Electronics and Physical Sciences, University of Surrey, Guildford GU2 7XH (United Kingdom); Webb, R.P. [Ion Beam Centre, Advanced Technology Institute, School of Electronics and Physical Sciences, University of Surrey, Guildford GU2 7XH (United Kingdom); Cuenca, L. [Fluids and Systems Research Centre, School of Engineering, University of Surrey, Guildford GU2 7XH (United Kingdom); Rodriguez, R. [Fluids and Systems Research Centre, School of Engineering, University of Surrey, Guildford GU2 7XH (United Kingdom); Browton, M. [Ion Beam Centre, Advanced Technology Institute, School of Electronics and Physical Sciences, University of Surrey, Guildford GU2 7XH (United Kingdom); Wardell, N. [School of Biomedical and Molecular Sciences, University of Surrey, Guildford GU2 7XH (United Kingdom); Underwood, B. [Fluids and Systems Research Centre, School of Engineering, University of Surrey, Guildford GU2 7XH (United Kingdom); Kirkby, N.F. [Fluids and Systems Research Centre, School of Engineering, University of Surrey, Guildford GU2 7XH (United Kingdom); Kirkby, K.J. [Ion Beam Centre, Advanced Technology Institute, School of Electronics and Physical Sciences, University of Surrey, Guildford GU2 7XH (United Kingdom)]. E-mail: k.kirkby@surrey.ac.uk

    2007-07-15

    Schizosaccharomyces pombe (S. pombe) is a eucaryotic cell type similar to mammalian cells but much more simple. As it also executes its cell cycle rapidly it is very useful for investigating basic processes in cells. In this paper we report a feasibility study of the applicability of microPIXE to investigate the interaction between S. pombe cells and the surrounding culture medium. Cells were cultured in various growth medium prior to preparation for analysis. 1 {mu}l drops of medium and cells were spotted onto polypropylene foils held in contact with a polished copper block previously cooled in liquid nitrogen. The samples were dehydrated by freeze-drying. Micro PIXE analysis was carried out with the IBC microbeam facility using a beam of 2.5 MeV protons focused to 1-2 {mu}m diameter. Initially no elemental contrast was observed between the cells and the medium, but by modifying the dilution of the cell suspension, the cells could be distinguished from the surrounding medium through an increased concentration of P and reduced concentration of Cl. The distribution of Na in the medium around the cells showed evidence of the action of the Na pump. Sporulation appears to be induced in the cells by adding Cu to the growth medium and the uptake of Cu by the cells could be clearly observed. This study shows that it is possible to analyse the mass transport of elements in and out of cells In the future this will enable concentration gradients to be analysed and allow the rate of production or consumption of individual cells to be calculated. By observing these patterns for individual cells (not populations) at various known points in the cell cycle, fundamental data can be derived.

  19. A microPIXE investigation of the interaction of cells of Schizosaccharomyces pombe with the culture medium

    International Nuclear Information System (INIS)

    Rombouts, P.M.M.; Gomez-Morilla, I.; Grime, G.W.; Webb, R.P.; Cuenca, L.; Rodriguez, R.; Browton, M.; Wardell, N.; Underwood, B.; Kirkby, N.F.; Kirkby, K.J.

    2007-01-01

    Schizosaccharomyces pombe (S. pombe) is a eucaryotic cell type similar to mammalian cells but much more simple. As it also executes its cell cycle rapidly it is very useful for investigating basic processes in cells. In this paper we report a feasibility study of the applicability of microPIXE to investigate the interaction between S. pombe cells and the surrounding culture medium. Cells were cultured in various growth medium prior to preparation for analysis. 1 μl drops of medium and cells were spotted onto polypropylene foils held in contact with a polished copper block previously cooled in liquid nitrogen. The samples were dehydrated by freeze-drying. Micro PIXE analysis was carried out with the IBC microbeam facility using a beam of 2.5 MeV protons focused to 1-2 μm diameter. Initially no elemental contrast was observed between the cells and the medium, but by modifying the dilution of the cell suspension, the cells could be distinguished from the surrounding medium through an increased concentration of P and reduced concentration of Cl. The distribution of Na in the medium around the cells showed evidence of the action of the Na pump. Sporulation appears to be induced in the cells by adding Cu to the growth medium and the uptake of Cu by the cells could be clearly observed. This study shows that it is possible to analyse the mass transport of elements in and out of cells In the future this will enable concentration gradients to be analysed and allow the rate of production or consumption of individual cells to be calculated. By observing these patterns for individual cells (not populations) at various known points in the cell cycle, fundamental data can be derived

  20. Brillouin light scattering investigation of interfacial Dzyaloshinskii–Moriya interaction in ultrathin Co/Pt nanostripe arrays

    Science.gov (United States)

    Bouloussa, H.; Yu, J.; Roussigné, Y.; Belmeguenai, M.; Stashkevitch, A.; Yang, H.; Chérif, S. M.

    2018-06-01

    Interface Dzyaloshinskii–Moriya interaction (iDMI) is known to induce spinwaves non-reciprocity in ultrathin films. Indeed, Brillouin light scattering has been used to investigate how the lateral size reduction can affect the iDMI constant in Pt (6 nm)/Co (3 nm) based-nanostripe arrays. For this, 100 and 300 nm-width nanostripes have been fabricated using e-beam lithography and ion etching, and their behaviour has then been compared to the reference continuous film. The experimental data showed that the measured iDMI induced non-reciprocity is slightly different for the 100 nm-width nanostripes with respect to the other samples. This suggests that the width of the nanostripes can influence the strength of the apparent iDMI if this dimension is comparable to the spin waves attenuation length propagating within the nanostripes. Indeed, in contrast to the other samples, the linear frequency difference (non-reciprocity) behaviour versus wavenumber for the 100 nm-width nanostripes has been analysed and discussed through two approaches: either a different iDMI constant or an iDMI constant similar to one of the continuous films with a non-zero intercept for a zero wavenumber.

  1. Spectroscopic and molecular modeling approaches to investigate the interaction of bisphenol A, bisphenol F and their diglycidyl ethers with PPARα.

    Science.gov (United States)

    Zhang, Jie; Zhang, Tiehua; Guan, Tianzhu; Ruan, Ping; Ren, Dayong; Dai, Weichang; Yu, Hansong; Li, Tiezhu

    2017-08-01

    A fluorescence polarization (FP) assay for the simultaneous determination of bisphenol A (BPA), bisphenol F (BPF), bisphenol A diglycidyl ether (BADGE) and bisphenol F diglycidyl ether (BFDGE) was developed. The method was based on the competition between bisphenols (BPs) and fluorescein-labeled dexamethasone derivative (Dex-fl) for mouse peroxisome proliferator-activated receptor α ligand binding domain (mPPARα-LBD). A recombinant soluble protein derivative mPPARα-LBD* was prepared, then in vitro binding of 4 BPs to mPPARα-LBD* was investigated. Fluorescence polarization assay showed that these compounds exhibited different binding potencies with mPPARα-LBD*. Additionally, molecular dynamics simulations were performed to further understand the mechanism of BPs binding affinity for mPPARα-LBD*. Docking results elucidated that the driving forces for the binding of BPs to mPPARα-LBD* were predominantly dependent on hydrophobic and hydrogen-bonding interactions. Comparison of the calculated binding energies vs. experimental binding affinities yielded a good correlation (R 2  = 0.7258). The proposed method has potential for multi-residue detection of BPA, BPF, BADGE, and BFDGE. Copyright © 2017 Elsevier Ltd. All rights reserved.

  2. Interaction of cement model systems with superplasticizers investigated by atomic force microscopy, zeta potential, and adsorption measurements.

    Science.gov (United States)

    Ferrari, Lucia; Kaufmann, Josef; Winnefeld, Frank; Plank, Johann

    2010-07-01

    Polyelectrolyte-based dispersants are commonly used in a wide range of industrial applications to provide specific workability to colloidal suspensions. Their working mechanism is based on adsorption onto the surfaces of the suspended particles. The adsorbed polymer layer can exercise an electrostatic and/or a steric effect which is responsible for achieving dispersion. This study is focused on the dispersion forces induced by polycarboxylate ether-based superplasticizers (PCEs) commonly used in concrete. They are investigated by atomic force microscopy (AFM) applying standard silicon nitride tips exposed to solutions with different ionic compositions in a wet cell. Adsorption isotherms and zeta potential analysis were performed to characterize polymer displacement in the AFM system on nonreactive model substrates (quartz, mica, calcite, and magnesium oxide) in order to avoid the complexity of cement hydration products. The results show that PCE is strongly adsorbed by positively charged materials. This fact reveals that, being silicon nitride naturally positively charged, in most cases the superplasticizer adsorbs preferably on the silicon nitride tip than on the AFM substrate. However, the force-distance curves displayed repulsive interactions between tip and substrates even when polymer was poorly adsorbed on both. These observations allow us to conclude that the dispersion due to PCE strongly depends on the particle charge. It differs between colloids adsorbing and not adsorbing PCE, and leads to different forces acting between the particles. Copyright 2010 Elsevier Inc. All rights reserved.

  3. Dentists interacting and working with female dental nurses: a qualitative investigation of gender differences in primary dental care.

    Science.gov (United States)

    Freeman, R; Gorter, R; Braam, A

    2004-02-14

    To investigate if women compared with men dentists experience deferential treatment from their female nurses, what workplace strategies women use to manage chair-side assistance and to examine if these were country related. A convenience sample of 22 male and female dentists of different ages working in general dental practice in The Netherlands and Northern Ireland participated. The sample framework was determined by saturation of the concepts. All informants were interviewed in a clinical setting. The data was subjected to rigorous line by line coding in order to identify clusters of codes, themes and concepts. Three themes were identified. These were: experiencing deferential nursing assistance; adopting 'friendly-like' working strategies and adopting business-like, hierarchical working strategies. Gender differences were shown for each of the themes. Women rather than men made friends with their nurses and attempted to reduce status inequalities. This led to workplace strategy inconsistencies. This suggested that it was not the type of strategy adopted but the inconsistency with which it was implemented that caused difficulties between younger women dentists and their nurses. Training dental students and young graduates how to interact appropriately in the clinical situation and to appreciate the nurses' work status will assist in improving working relationships.

  4. Modeling techniques and fluorescence imaging investigation of the interactions of an anthraquinone derivative with HSA and ctDNA.

    Science.gov (United States)

    Fu, Zheng; Cui, Yanrui; Cui, Fengling; Zhang, Guisheng

    2016-01-15

    A new anthraquinone derivative (AORha) was synthesized. Its interactions with human serum albumin (HSA) and calf thymus DNA (ctDNA) were investigated by fluorescence spectroscopy, UV-visible absorption spectroscopy and molecular modeling. Cell viability assay and cell imaging experiment were performed using cervical cancer cells (HepG2 cells). The fluorescence results revealed that the quenching mechanism was static quenching. At different temperatures (290, 300, 310 K), the binding constants (K) and the number of binding sites (n) were determined, respectively. The positive ΔH and ΔS values showed that the binding of AORha with HSA was hydrophobic force, which was identical with the molecular docking result. Studying the fluorescence spectra, UV spectra and molecular modeling also verified that the binding mode of AORha and ctDNA might be intercalative. When HepG2 cells were treated with AORha, the fluorescence became brighter and turned green, which could be used for bioimaging. Copyright © 2015 Elsevier B.V. All rights reserved.

  5. The Use of Magnetic Orientation as a Pinning Modality for Investigation of Photon-Magnon Interactions in Magnetic Nanoparticle Systems.

    Science.gov (United States)

    Cuong, Giap Van; Su, Luong Van; Tue, Nguyen Anh; Khanh, Hoang Quoc; Tuan, Nguyen Anh

    2018-06-01

    In this work, an experimental setup to study the dependence of a visible-light transmission through a magnetic granular film on the magnetic field direction was presented. The results measured the transmission (T) of the visible light, with the wavelengths λ were in the range from 560 to 695 nm, by the magnetic nanogranular films Cox-(Al2O3)100-x system, with Co compositions are x = 10 ÷ 45 at.%, as a function of the magnetic field direction were reported. These investigations were carried out under an external magnetic field of H = 400 Oe, which directs to the normal of the sample surface by an angle varied in the range of φ = 0° ÷ 45°, to magnetize the magnetization direction of all the Co particles following this direction. Consequently, the angle φ between the magnetization direction with the incident-light direction, which sets as the optical axis of the system and always keeps fixedly to the normal of the sample surface, is established. The experimental results showed the different dependencies of T on the angle φ, the magnetic field H, the Co composition x, and the wavelength λ. These dependencies attributed to a behavior that relates to so-called photon-magnon interaction.

  6. Manipulation and Investigation of Uniformly-Spaced Nanowire Array on a Substrate via Dielectrophoresis and Electrostatic Interaction

    Directory of Open Access Journals (Sweden)

    U Hyeok Choi

    2018-06-01

    Full Text Available Directed-assembly of nanowires on the dielectrics-covered parallel electrode structure is capable of producing uniformly-spaced nanowire array at the electrode gap due to dielectrophoretic nanowire attraction and electrostatic nanowire repulsion. Beyond uniformly-spaced nanowire array formation, the control of spacing in the array is beneficial in that it should be the experimental basis of the precise positioning of functional nanowires on a circuit. Here, we investigate the material parameters and bias conditions to modulate the nanowire spacing in the ordered array, where the nanowire array formation is readily attained due to the electrostatic nanowire interaction. A theoretical model for the force calculation and the simulation of the induced charge in the assembled nanowire verifies that the longer nanowires on thicker dielectric layer tend to be assembled with a larger pitch due to the stronger nanowire-nanowire electrostatic repulsion, which is consistent with the experimental results. It was claimed that the stronger dielectrophoretic force is likely to attract more nanowires that are suspended in solution at the electrode gap, causing them to be less-spaced. Thus, we propose a generic mechanism, competition of dielectrophoretic and electrostatic force, to determine the nanowire pitch in an ordered array. Furthermore, this spacing-controlled nanowire array offers a way to fabricate the high-density nanodevice array without nanowire registration.

  7. Investigation on performances of asphalt mixtures made with Reclaimed Asphalt Pavement: Effects of interaction between virgin and RAP bitumen

    Directory of Open Access Journals (Sweden)

    Luca Noferini

    2017-07-01

    Full Text Available According to most recent surveys, the European area produced 265 mil tonnes of asphalt for road applications in 2014. In the same year, the amount of available RAP was more than 50 mil tonnes. The use of RAP in new blended mixes reduces the need of neat bitumen, making RAP recycling economically attractive. Despite the economic and environmental benefits, road authorities tend to limit the use of RAP in asphalt mixes due to uncertainty about field performances. The present study focuses on the interaction between neat and RAP bitumen in asphalt mixes made with different RAP content. The effects of RAP on physical and rheological properties of the final bituminous blend were investigated. This study is part of a wider research, where a specific type of asphalt mixture was produced with different RAP contents being 10%, 20% and 30% by mass of the mix. Bitumen was extracted and recovered from asphalt mixes, then it was subjected to the following laboratory tests: standard characterization, dynamic viscosity and rheological analysis with DSR. Findings showed that the effects of RAP bitumen on the final blend varied in proportion to RAP content. A threshold value of RAP content was found, below which bitumen was not subjected to significant changes in physical and rheological properties. Practical implications on production methods and paving of RAP mixes are also proposed. Keywords: Reclaimed Asphalt Pavement (RAP, Recycling, Bitumen blending, Bitumen rheology

  8. Investigation of a cable-driven parallel mechanism for interaction with a variety of surface, applied to the cleaning of free-form buildings

    NARCIS (Netherlands)

    Voss, K.H.J.; van der Wijk, V.; Herder, Justus Laurens; Lenarcic, Jadran; Husty, Manfred

    2012-01-01

    In this paper, the capability of a specific cable-driven parallel mechanism to interact with a variety of surfaces is investigated. This capability could be of use in for example the cleaning of large building surfaces. A method is presented to investigate the workspace for which the cables do not

  9. Using full configuration interaction quantum Monte Carlo in a seniority zero space to investigate the correlation energy equivalence of pair coupled cluster doubles and doubly occupied configuration interaction

    International Nuclear Information System (INIS)

    Shepherd, James J.; Henderson, Thomas M.; Scuseria, Gustavo E.

    2016-01-01

    Over the past few years, pair coupled cluster doubles (pCCD) has shown promise for the description of strong correlation. This promise is related to its apparent ability to match results from doubly occupied configuration interaction (DOCI), even though the latter method has exponential computational cost. Here, by modifying the full configuration interaction quantum Monte Carlo algorithm to sample only the seniority zero sector of Hilbert space, we show that the DOCI and pCCD energies are in agreement for a variety of 2D Hubbard models, including for systems well out of reach for conventional configuration interaction algorithms. Our calculations are aided by the sign problem being much reduced in the seniority zero space compared with the full space. We present evidence for this and then discuss the sign problem in terms of the wave function of the system which appears to have a simplified sign structure.

  10. Investigating the Interactions, Beliefs, and Practices of Teacher-Coach Teams in a STEM After-School Setting

    Science.gov (United States)

    Swanson Hoyle, Kylie Jayne

    After-school programs, such as a STEM Career Club, can promote student interest, engagement, and awareness of STEM majors and fields, as well as encourage teachers to become more knowledgeable and competent in STEM areas. In this dissertation study, two schools were selected from a larger NSF-funded project to participate in this study. Teacher- Coaches (T-Coaches) from two rural middle schools in the southeastern United States (U.S.) participated in teacher professional development (TPD) sessions and Professional Learning Community (PLC) meetings to prepare them to lead an after-school STEM Club. The Community of Practice (CoP) framework and Social Cognitive Theory are employed to investigate underlying factors that contribute to teacher interactions and preparations, and differing STEM program outcomes. Data from the Dimensions of Success (DoS) observation tool, the teacher belief interview (TBI), T-Coach participation and attendance at TPD, attendance and audio recordings from PLC meetings, and T-Coach card sorts were analyzed over approximately 6 meetings for 5 months. Findings are presented in two chapters. In Chapter Four, a comparative case study of the interactions of the teachers at two participating middle schools is analyzed. Results indicate that for each case, the club's T-Coaches interacted positively to prepare for club meetings and have a well-functioning CoP within their PLC. The first case (Northern Middle School) interacted in ways that aligned with the CoP framework (enterprise and repertoire), which led them to achieve, on average, desirable ratings on 7 of the 12 DoS dimensions. However, the other case (Southern Middle School), the T-Coaches interacted in ways that demonstrated more equal levels of enterprise, mutuality, and repertoire; this PLC had higher DoS ratings during the STEM Clubs in all dimensions (11/12 met desirable ratings). These findings suggest that high levels of all of the social learning characteristics within PLCs can

  11. First principles investigation of interaction between impurity atom (Si, Ge, Sn) and carbon atom in diamond-like carbon system

    International Nuclear Information System (INIS)

    Li, Xiaowei; Wang, Aiying; Lee, Kwang-Ryeol

    2012-01-01

    The interaction between impurity atom (Si, Ge, and Sn) and carbon atom in diamond-like carbon (DLC) system was investigated by the first principles simulation method based on the density functional theory. The tetrahedral configuration was selected as the calculation model for simplicity. When the bond angle varied in a range of 90°–130° from the equivalent state of 109.471°, the distortion energy and the electronic structures including charge density of the highest occupied molecular orbital (HOMO) and partial density of state (PDOS) in the different systems were calculated. The results showed that the addition of Si, Ge and Sn atom into amorphous carbon matrix significantly decreased the distortion energy of the system as the bond angles deviated from the equilibrium one. Further studies of the HOMO and PDOS indicated that the weak covalent bond between Si(Ge, Sn) and C atoms was formed with the decreased strength and directionality, which were influenced by the electronegative difference. These results implied that the electron transfer behavior at the junction of carbon nano-devices could be tailored by the impurity element, and the compressive stress in DLC films could be reduced by the incorporation of Si, Ge and Sn because of the formation of weaker covalent bonds. - Highlights: ►Distortion energy after bond angle distortion was decreased comparing with C-C unit. ►The weak covalent bond was formed between impurity atoms and corner carbon atoms. ►Observed electron transfer behavior affected the strength and directionality of bond. ►Reduction of strength and directionality of bond contributed to small energy change.

  12. Experimental investigation of the impact of compound-specific dispersion and electrostatic interactions on transient transport and solute breakthrough

    Science.gov (United States)

    Muniruzzaman, Muhammad; Rolle, Massimo

    2017-02-01

    This study investigates the effects of compound-specific diffusion/dispersion and electrochemical migration on transient solute transport in saturated porous media. We conducted laboratory bench-scale experiments, under advection-dominated regimes (seepage velocity: 0.5, 5, 25 m/d), in a quasi two-dimensional flow-through setup using pulse injection of multiple tracers (both uncharged and ionic species). Extensive sampling and measurement of solutes' concentrations (˜1500 samples; >3000 measurements) were performed at the outlet of the flow-through setup, at high spatial and temporal resolution. The experimental results show that compound-specific effects and charge-induced Coulombic interactions are important not only at low velocities and/or for steady state plumes but also for transient transport under high flow velocities. Such effects can lead to a remarkably different behavior of measured breakthrough curves also at very high Péclet numbers. To quantitatively interpret the experimental results, we used four modeling approaches: classical advection-dispersion equation (ADE), continuous time random walk (CTRW), dual-domain mass transfer model (DDMT), and a multicomponent ionic dispersion model. The latter is based on the multicomponent formulation of coupled diffusive/dispersive fluxes and was used to describe and explain the electrostatic effects of charged species. Furthermore, we determined experimentally the temporal profiles of the flux-related dilution index. This metric of mixing, used in connection with the traditional solute breakthrough curves, proved to be useful to correctly distinguish between plume spreading and mixing, particularly for the cases in which the sole analysis of integrated concentration breakthrough curves may lead to erroneous interpretation of plume dilution.

  13. Investigation of electric quadrupole interaction in TiO2 by means of perturbed gamma-gamma angular correlation spectroscopy

    International Nuclear Information System (INIS)

    Martucci, Thiago; Ramos, Juliana Marques; Carbonari, Artur Wilson; Silva, Andreia S.; Saxena, Rajendra Narain

    2011-01-01

    TiO 2 has called attention in both basic research and technological applications as an energy converter in solar cells, photo catalyst for water purification, sunscreen material, drug detection, and other applications. In addition TiO 2 is a candidate for use in medical devices, food preparation surfaces, air conditioning filters and sanitary ware surfaces.TiO 2 has two crystalline phases: anatase and rutile. The structural properties and hyperfine interactions in TiO 2 were investigated by perturbed gamma-gamma angular correlation (PAC) spectroscopy using 111 In and 181 Hf as probe nuclei. The PAC spectroscopy provides information on crystalline and electronic structure at an atomic scale. In the present work, PAC measurements on TiO 2 were focused on the development of a methodology to prepare bulk samples, which have been characterized by conventional techniques such as x-ray diffraction, (XRD), scanning electron microscopy (SEM) and Energy Dispersive Spectroscopy (EDS). The samples were prepared by the sol gel Pechini method. The resulting powders were annealed at different temperatures in a tubular furnace under nitrogen atmosphere. The PAC measurements were carried out at room temperature in air. The occupation fraction of the probe nuclei reached 50% when the sample was annealed at 1373K and after measured at room temperature.In this case the frequency measured in site 1 is in agreement with that found in literature for substitutional titanium site in rutile structure when 111 In were used as probe nuclei. It was measured a frequency more closely to that was found in literature[7] for the case in which 181 Hf were used as probe nuclei when the sample annealed at 1373 K and measured at 973 K. (author)

  14. Investigating the spatio-temporal variability in groundwater and surface water interactions: a multi-technique approach

    Science.gov (United States)

    Unland, N. P.; Cartwright, I.; Andersen, M. S.; Rau, G. C.; Reed, J.; Gilfedder, B. S.; Atkinson, A. P.; Hofmann, H.

    2013-09-01

    The interaction between groundwater and surface water along the Tambo and Nicholson rivers, southeast Australia, was investigated using 222Rn, Cl, differential flow gauging, head gradients, electrical conductivity (EC) and temperature profiles. Head gradients, temperature profiles, Cl concentrations and 222Rn activities all indicate higher groundwater fluxes to the Tambo River in areas of increased topographic variation where the potential to form large groundwater-surface water gradients is greater. Groundwater discharge to the Tambo River calculated by Cl mass balance was significantly lower (1.48 × 104 to 1.41 × 103 m3 day-1) than discharge estimated by 222Rn mass balance (5.35 × 105 to 9.56 × 103 m3 day-1) and differential flow gauging (5.41 × 105 to 6.30 × 103 m3 day-1) due to bank return waters. While groundwater sampling from the bank of the Tambo River was intended to account for changes in groundwater chemistry associated with bank infiltration, variations in bank infiltration between sample sites remain unaccounted for, limiting the use of Cl as an effective tracer. Groundwater discharge to both the Tambo and Nicholson rivers was the highest under high-flow conditions in the days to weeks following significant rainfall, indicating that the rivers are well connected to a groundwater system that is responsive to rainfall. Groundwater constituted the lowest proportion of river discharge during times of increased rainfall that followed dry periods, while groundwater constituted the highest proportion of river discharge under baseflow conditions (21.4% of the Tambo in April 2010 and 18.9% of the Nicholson in September 2010).

  15. How do users interact with photovoltaic-powered products? Investigating 100 'lead-users' and 6 PV products

    NARCIS (Netherlands)

    Apostolou, G.; Reinders, Angelina H.M.E.

    2016-01-01

    In order to better understand how 'lead-users' interact with PV-powered products, the behaviour of 100 people interacting with six different PV-powered products in their daily life was analysed. The sample of respondents to be observed consisted of 20 groups, each one formed by five students of

  16. Large-Scale Investigation of Leishmania Interaction Networks with Host Extracellular Matrix by Surface Plasmon Resonance Imaging

    Science.gov (United States)

    Fatoux-Ardore, Marie; Peysselon, Franck; Weiss, Anthony; Bastien, Patrick; Pratlong, Francine

    2014-01-01

    We have set up an assay to study the interactions of live pathogens with their hosts by using protein and glycosaminoglycan arrays probed by surface plasmon resonance imaging. We have used this assay to characterize the interactions of Leishmania promastigotes with ∼70 mammalian host biomolecules (extracellular proteins, glycosaminoglycans, growth factors, cell surface receptors). We have identified, in total, 27 new partners (23 proteins, 4 glycosaminoglycans) of procyclic promastigotes of six Leishmania species and 18 partners (15 proteins, 3 glycosaminoglycans) of three species of stationary-phase promastigotes for all the strains tested. The diversity of the interaction repertoires of Leishmania parasites reflects their dynamic and complex interplay with their mammalian hosts, which depends mostly on the species and strains of Leishmania. Stationary-phase Leishmania parasites target extracellular matrix proteins and glycosaminoglycans, which are highly connected in the extracellular interaction network. Heparin and heparan sulfate bind to most Leishmania strains tested, and 6-O-sulfate groups play a crucial role in these interactions. Numerous Leishmania strains bind to tropoelastin, and some strains are even able to degrade it. Several strains interact with collagen VI, which is expressed by macrophages. Most Leishmania promastigotes interact with several regulators of angiogenesis, including antiangiogenic factors (endostatin, anastellin) and proangiogenic factors (ECM-1, VEGF, and TEM8 [also known as anthrax toxin receptor 1]), which are regulated by hypoxia. Since hypoxia modulates the infection of macrophages by the parasites, these interactions might influence the infection of host cells by Leishmania. PMID:24478075

  17. An Investigation of the Effects of Interactive Whiteboards as Perceived by Ohio High School Foreign Language Teachers

    Science.gov (United States)

    Langan-Perez, Julie

    2013-01-01

    Grounding education in technology with a global orientation is relevant to educating students in the United States today. A technology-oriented education with a global orientation can prepare students to be in a position to use technology and interact with others on a global scale. One example of a technology tool is Interactive Whiteboards…

  18. Investigations into light-front interactions for massless fields (I): non-constructibility of higher spin quartic amplitudes

    Energy Technology Data Exchange (ETDEWEB)

    Bengtsson, Anders K.H. [Academy of Textiles, Engineering and Economics, University of Borås,Allégatan 1, SE-50190 Borås (Sweden)

    2016-12-27

    The dynamical commutators of the light-front Poincaré algebra yield first order differential equations in the p{sup +} momenta for the interaction vertex operators. The homogeneous solution to the equation for the quartic vertex is studied. Consequences as regards the constructibility assumption of quartic higher spin amplitudes from cubic amplitudes are discussed. The existence of quartic contact interactions unrelated to cubic interactions by Poincaré symmetry indicates that the higher spin S-matrix is not constructible. Thus quartic amplitude based no-go results derived by BCFW recursion for Minkowski higher spin massless fields may be circumvented.

  19. Investigation of the interaction between liquid and micro/nanostructured surfaces during condensation with quartz crystal microbalance

    Science.gov (United States)

    Su, Junwei

    Dropwise condensation (DWC) on hydrophobic surfaces is attracting attention for its great potential in many industrial applications, such as steam power plants, water desalination, and de-icing of aerodynamic surfaces, to list a few. The direct dynamic characterization of liquid/solid interaction can significantly accelerate the progress toward a full understanding of the thermal and mass transport mechanisms during DWC processes. The research focuses on the development of a novel acoustic-based technique for analyzing the liquid/solid interactions of different condensations on micro- and nanostructured surfaces including DWC. hi addition. the newly developed technology was demonstrated for quantitatively sensing different wetting states of liquid on rough surfaces. First, different micro/nanostructures were fabricated on the quartz crystal microbalance (QCM), which serves as acoustic sensor. Polymethyl methacrylate (PMMA) micropillars, with varying heights from 6.03 to 25.02 microm, were fabricated on a quartz crystal microbalance (QCM) substrate by thermal nanoimprinting lithography to form pillar-based QCM (QCM-P). For nanostructured QCM. a copper layer was deposited on the QCM surface and then nanostructures of copper oxide (CuO) films were formed via chemical oxidation in an alkaline solution. Then, these surfaces were treated to make them superhydrophilic or superhydrophobic using oxygen plasma treatment or with coating of 1H,1 H,2H,2H-perfluorooctyl-trichlorosilane (PFOTS). Based on the geometry of these micro/nanostructures, the relationship between the frequency responses of QCM and the wetting states of these surfaces was theoretically investigated. Different theoretical models were established to describing the frequency shift of the micro- and nanostructured QCM in different wetting states. For the microstructured surface, the cantilever based model and a two-degree-of-freedom dynamic model were applied to predict the frequency shift of the QCM-P in

  20. Investigation of energy spectrum and nuclear interactions of primary cosmic radiation; Badanie widma energetycznego i oddzialywan jadrowych pierwotnego promieniowania kosmicznego

    Energy Technology Data Exchange (ETDEWEB)

    Wilczynski, H. [Dept. of High Energy Physics, The H. Niewodniczanski Inst. of Nuclear Physics, Cracow (Poland)

    1996-12-31

    In the paper the JACEE experiment data analysis: energy spectra in the energy range 10{sup 12} - 10{sup 15} eV of different nuclides in cosmic radiation and some aspects of nuclear interactions at energy above 10{sup 12} eV/nucleon is presented. The data were compared with results of theory of cosmic radiation acceleration by striking waves arises from supernova stars explosions. In the interactions of cosmic radiation nuclei the short-lived particles production has been observed what agrees with long-distance component of cascades initiated by cosmic radiation interactions. In one case an interaction with asymmetric photons emission were observed 72 refs, 33 figs, 4 tabs

  1. A Saccharomyces cerevisiae Assay System to Investigate Ligand/AdipoR1 Interactions That Lead to Cellular Signaling

    KAUST Repository

    Aouida, Mustapha; Kim, Kangchang; Shaikh, Abdul Rajjak; Pardo, Jose M.; Eppinger, Jö rg; Yun, Dae-Jin; Bressan, Ray A.; Narasimhan, Meena L.

    2013-01-01

    Adiponectin is a mammalian hormone that exerts anti-diabetic, anti-cancer and cardioprotective effects through interaction with its major ubiquitously expressed plasma membrane localized receptors, AdipoR1 and AdipoR2. Here, we report a

  2. Current status of investigations on molten fuel: Coolant interaction, material movement and relocation in LMFBRs in Russia

    International Nuclear Information System (INIS)

    Buksha, Yu.; Kuznetsov, I.

    1994-01-01

    The paper contains information on experimental studies and calculation codes, related to molten fuel-coolant interaction, material movement and relocation. Some calculation results for the BN-800 type reactor are presented. (author)

  3. Investigation of the influence of nuclear matter on hard neutrino nucleus interaction using the HARDPING Monte Carlo Event Generator

    International Nuclear Information System (INIS)

    Berdnikov, Ya.A.; Berdnikov, A.Ya.; Kim, V.T.; Ivanov, A.E.; Suetin, D.P.; Tiangov, K.D.

    2016-01-01

    Hadron production in neutrino-nucleus interactions is implemented in Monte Carlo event generator HARDPING (HARD Probe INteraction Generator). Such effects as formation length, energy loss and multiple rescattering for produced hadrons and their constituents are taken into account in HARDPING. Available data from WA/59 and SCAT collaborations on hadron production in neutrino-nucleus collisions is described by HARDPING with a reasonable agreement

  4. Structural Dynamics Investigation of Human Family 1 & 2 Cystatin-Cathepsin L1 Interaction: A Comparison of Binding Modes.

    Directory of Open Access Journals (Sweden)

    Suman Kumar Nandy

    Full Text Available Cystatin superfamily is a large group of evolutionarily related proteins involved in numerous physiological activities through their inhibitory activity towards cysteine proteases. Despite sharing the same cystatin fold, and inhibiting cysteine proteases through the same tripartite edge involving highly conserved N-terminal region, L1 and L2 loop; cystatins differ widely in their inhibitory affinity towards C1 family of cysteine proteases and molecular details of these interactions are still elusive. In this study, inhibitory interactions of human family 1 & 2 cystatins with cathepsin L1 are predicted and their stability and viability are verified through protein docking & comparative molecular dynamics. An overall stabilization effect is observed in all cystatins on complex formation. Complexes are mostly dominated by van der Waals interaction but the relative participation of the conserved regions varied extensively. While van der Waals contacts prevail in L1 and L2 loop, N-terminal segment chiefly acts as electrostatic interaction site. In fact the comparative dynamics study points towards the instrumental role of L1 loop in directing the total interaction profile of the complex either towards electrostatic or van der Waals contacts. The key amino acid residues surfaced via interaction energy, hydrogen bonding and solvent accessible surface area analysis for each cystatin-cathepsin L1 complex influence the mode of binding and thus control the diverse inhibitory affinity of cystatins towards cysteine proteases.

  5. Parent-child interactions and children with cerebral palsy: An exploratory study investigating emotional availability, functional ability, and parent distress.

    Science.gov (United States)

    Barfoot, J; Meredith, P; Ziviani, J; Whittingham, K

    2017-11-01

    Emotionally available parent-child relationships are supportive of child health and development. When a child has cerebral palsy, a range of child and parent factors can potentially impact the parent-child relationship; however, little research has specifically addressed this question. The aim of this study is to investigate links between parent-child emotional availability and both child functional abilities and parent distress in a sample of parents and children with cerebral palsy. Twenty-three mothers (mean age 37.3+/-5.7 years) and their children (mean age 4.9+/-3.3 years) with cerebral palsy completed a 20 min videoed parent-child interaction, scored using the Emotional Availability Scales. Parents also completed the Depression Anxiety Stress Scale, the Paediatric Evaluation of Disability Inventory, and the Strengths and Difficulties Questionnaire. Correlational analyses were conducted, and qualitative observations were made. Parent-child dyads in which the parent reported depressive symptoms scored poorer on all aspects of parent-child emotional availability. Where parents reported experiencing anxiety or stress, increased parent hostility and decreased child responsiveness was found. There was no relationship between child functional abilities and either parent distress or parent-child emotional availability. Parent sensitivity, structuring, and nonintrusiveness were negatively associated with child peer problems. Both child responsiveness and child involvement were negatively associated with hyperactivity/inattention. Observations of video footage suggested that parent implementation of therapy strategies impacted negatively on parent-child emotional availability for some dyads. Findings from this study are consistent with the wider literature showing a link between parental depression and the parent-child relationship and extend this link to the cerebral palsy population. The importance of routine screening for parental mental health problems in early

  6. Investigating the Heterogeneous Interaction of VOCs with Natural Atmospheric Particles: Adsorption of Limonene and Toluene on Saharan Mineral Dusts.

    Science.gov (United States)

    Romanías, Manolis N; Ourrad, Habib; Thévenet, Frédéric; Riffault, Véronique

    2016-03-03

    The heterogeneous interaction of limonene and toluene with Saharan dusts was investigated under dark conditions, pressure of 1 atm, and temperature 293 K. The mineral dust samples were collected from six different regions along the Sahara desert, extending from Tunisia to the western Atlantic coastal areas of Morocco, and experiments were carried out with the smallest sieved fractions, that is, inferior to 100 μm. N2 sorption measurements, granulometric analysis, and X-ray fluorescence and diffraction (XRF and XRD) measurements were conducted to determine the physicochemical properties of the particles. The chemical characterization showed that dust originating from mideastern Sahara has a significantly higher SiO2 content (∼ 82%) than dust collected from the western coastal regions where the SiO2 relative abundance was ∼ 50%. A novel experimental setup combining diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS), selected-ion flow-tube mass spectrometry (SIFT-MS), and long path transmission Fourier transform infrared spectroscopy (FTIR) allowed us to follow both the adsorbed and gas phases. The kinetic adsorption/desorption measurements were performed using purified dry air as bath gas, exposing each dust surface to 10 ppm of the selective volatile organic compound (VOC). The adsorption of limonene was independent of the SiO2 content, given the experimental uncertainties, and the coverage measurements ranged between (10 and 18) × 10(13) molecules cm(-2). Experimental results suggest that other metal oxides that could possibly influence dust acidity may enhance the adsorption of limonene. On the contrary, in the case of toluene, the adsorption capacities of the Saharan samples increased with decreasing SiO2 content; however, the coverage measurements were significantly lower than those of limonene and ranged between (2 and 12) × 10(13) molecules cm(-2). Flushing the surface with purified dry air showed that VOC desorption is not a

  7. Do law enforcement interactions reduce the initiation of injection drug use? An investigation in three North American settings.

    Science.gov (United States)

    Melo, J S; Garfein, R S; Hayashi, K; Milloy, M J; DeBeck, K; Sun, S; Jain, S; Strathdee, S A; Werb, D

    2018-01-01

    The prevention of drug injecting is often cited as a justification for the deployment of law enforcement and for the continuation of drug criminalization policies. We sought to characterize the impact of law enforcement interactions on the risk that people who inject drugs (PWID) report assisting others with injection initiation in three North American countries. Cross-sectional data from PWID participating in cohort studies in three cities (San Diego, USA; Tijuana, Mexico; Vancouver, Canada) were pooled (August 2014-December 2016). The dependent variable was defined as recently (i.e., past six months) providing injection initiation assistance; the primary independent variable was the frequency of recent law enforcement interactions, defined categorically (0 vs. 1 vs. 2-5 vs. ≥6). We employed multivariable logistic regression analyses to assess this relationship while controlling for potential confounders. Among 2122 participants, 87 (4.1%) reported recently providing injection initiation assistance, and 802 (37.8%) reported recent law enforcement interactions. Reporting either one or more than five recent interactions with law enforcement was not significantly ass