Hybrid deterministic/stochastic simulation of complex biochemical systems.

PubMed

Lecca, Paola; Bagagiolo, Fabio; Scarpa, Marina

2017-11-21

In a biological cell, cellular functions and the genetic regulatory apparatus are implemented and controlled by complex networks of chemical reactions involving genes, proteins, and enzymes. Accurate computational models are indispensable means for understanding the mechanisms behind the evolution of a complex system, not always explored with wet lab experiments. To serve their purpose, computational models, however, should be able to describe and simulate the complexity of a biological system in many of its aspects. Moreover, it should be implemented by efficient algorithms requiring the shortest possible execution time, to avoid enlarging excessively the time elapsing between data analysis and any subsequent experiment. Besides the features of their topological structure, the complexity of biological networks also refers to their dynamics, that is often non-linear and stiff. The stiffness is due to the presence of molecular species whose abundance fluctuates by many orders of magnitude. A fully stochastic simulation of a stiff system is computationally time-expensive. On the other hand, continuous models are less costly, but they fail to capture the stochastic behaviour of small populations of molecular species. We introduce a new efficient hybrid stochastic-deterministic computational model and the software tool MoBioS (MOlecular Biology Simulator) implementing it. The mathematical model of MoBioS uses continuous differential equations to describe the deterministic reactions and a Gillespie-like algorithm to describe the stochastic ones. Unlike the majority of current hybrid methods, the MoBioS algorithm divides the reactions' set into fast reactions, moderate reactions, and slow reactions and implements a hysteresis switching between the stochastic model and the deterministic model. Fast reactions are approximated as continuous-deterministic processes and modelled by deterministic rate equations. Moderate reactions are those whose reaction waiting time is greater than the fast reaction waiting time but smaller than the slow reaction waiting time. A moderate reaction is approximated as a stochastic (deterministic) process if it was classified as a stochastic (deterministic) process at the time at which it crosses the threshold of low (high) waiting time. A Gillespie First Reaction Method is implemented to select and execute the slow reactions. The performances of MoBios were tested on a typical example of hybrid dynamics: that is the DNA transcription regulation. The simulated dynamic profile of the reagents' abundance and the estimate of the error introduced by the fully deterministic approach were used to evaluate the consistency of the computational model and that of the software tool.

Product screening of fast reactions in IR-laser-heated liquid water filaments in a vacuum by mass spectrometry.

PubMed

Charvat, A; Stasicki, B; Abel, B

2006-03-09

In the present article a novel approach for rapid product screening of fast reactions in IR-laser-heated liquid microbeams in a vacuum is highlighted. From absorbed energies, a shock wave analysis, high-speed laser stroboscopy, and thermodynamic data of high-temperature water the enthalpy, temperature, density, pressure, and the reaction time window for the hot water filament could be characterized. The experimental conditions (30 kbar, 1750 K, density approximately 1 g/cm3) present during the lifetime of the filament (20-30 ns) were extreme and provided a unique environment for high-temperature water chemistry. For the probe of the reaction products liquid beam desorption mass spectrometry was employed. A decisive feature of the technique is that ionic species, as well as neutral products and intermediates may be detected (neutrals as protonated aggregates) via time-of-flight mass spectrometry without any additional ionization laser. After the explosive disintegration of the superheated beam, high-temperature water reactions are efficiently quenched via expansion and evaporative cooling. For first exploratory experiments for chemistry in ultrahigh-temperature, -pressure and -density water, we have chosen resorcinol as a benchmark system, simple enough and well studied in high-temperature water environments much below 1000 K. Contrary to oxidation reactions usually present under less extreme and dense supercritical conditions, we have observed hydration and little H-atom abstraction during the narrow time window of the experiment. Small amounts of radicals but no ionic intermediates other than simple proton adducts were detected. The experimental findings are discussed in terms of the energetic and dense environment and the small time window for reaction, and they provide firm evidence for additional thermal reaction channels in extreme molecular environments.

KSC-02pd1885

NASA Image and Video Library

2002-12-09

KENNEDY SPACE CENTER, FLA. -- Space Shuttle Columbia rolls towards Launch Pad 39A, sitting atop the Mobile Launcher Platform, which in turn is carried by the crawler-transporter underneath. The STS-107 research mission comprises experiments ranging from material sciences to life sciences (many rats), plus the Fast Reaction Experiments Enabling Science, Technology, Applications and Research (FREESTAR) that incorporates eight high priority secondary attached shuttle experiments. Mission STS-107 is scheduled to launch Jan. 16, 2003.

Association Reactions at Low Pressure: 5. The CH(sub 3)+/HCN System. A Final Word?

NASA Technical Reports Server (NTRS)

Anicich, V.; Sen, A.; Huntress, W.; McEwan, M.

1994-01-01

The reaction of the methyl cation with hydrogen cyanide is revisited. We have confidence that we have resolved a long standing apparent contradiction of experimental results. A literature history is presented along with one new experiment and a reexamination of an old experiment. In this present work it is shown that all of the previous studies had made consistent observations. Yet, each of the previous studies failed to observe all of the information present. The methyl cation does react with HCN by radiative association, a fact which had been in doubt. The product ions formed in the two-body and three-body processes react differently with HCN. The collisionally stabilized association product formed by a three-body mechanism does not react with HCN and is readily detected in the experiments. The radiatively stabilized association product, formed by a slow two-body reaction, is not detected because it reacts with HCN by a fast proton transfer reaction forming the protonated HCN ion.

KSC-02pd0422

NASA Image and Video Library

2002-04-04

KENNEDY SPACE CENTER, FLA. - In the Multi-Payload Processing Facility, members of the STS-107 crew run tests on the Fast Reaction Experiments Enabling Science, Technology, Applications and Research (FREESTAR) experiments, part of the payload on their mission. A research mission, the primary payload is the first flight of the SHI Research Double Module (SHI/RDM), also known as SPACEHAB. The experiments range from material sciences to life sciences (many rats). STS-107 is scheduled to launch July 11, 2002

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tarver, C M

Recent laser ignition experiments on octahydro-1,3,5,7-tetranitro-1,3,5,7-terrazocine (HMX) and 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) subjected to laser fluxes ranging from 10 to 800 W/cm{sup 2} produced ignition times from seconds to milliseconds. Global chemical kinetic thermal decomposition models for HMX and TATB have been developed to calculate times to thermal explosion for experiments in the seconds to days time frame. These models are applied to the laser ignition experimental data in this paper. Excellent agreement was obtained for TATB, while the calculated ignition times were longer than experiment for HMX at lower laser fluxes. At the temperatures produced in the laser experiments, HMX melts.more » Melting generally increases condensed phase reaction rates so faster rates were used for three of the HMX reaction rates. This improved agreement with experiments at the lower laser fluxes but yielded very fast ignition at high fluxes. The calculated times to ignition are in reasonable agreement with the laser ignition experiments, and this justifies the use of these models for estimating reaction times at impact and shock ''hot spot'' temperatures.« less

Flux trap effect study in a sub-critical neutron assembly using activation methods

NASA Astrophysics Data System (ADS)

Routsonis, K.; Stoulos, S.; Clouvas, A.; Catsaros, N.; Varvayianni, M.; Manolopoulou, M.

2016-09-01

The neutron flux trap effect was experimentally studied in the subcritical assembly of the Atomic and Nuclear Physics Laboratory of the Aristotle University of Thessaloniki, using delayed gamma neutron activation analysis. Measurements were taken within the natural uranium fuel grid, in vertical levels symmetrical to the Am-Be neutron source, before and after the removal of fuel elements, permitting likewise a basic study of the vertical flux profile. Three identical flux traps of diamond shape were created by removing four fuel rods for each one. Two (n, γ) reactions and one (n, p) threshold reaction were selected for thermal, epithermal and fast flux study. Results of thermal and epithermal flux obtained through the 197Au (n, γ) 198Au and 186W (n, γ) 187W reactions, with and without Cd covers, to differentiate between the two flux regions. The 58Ni (n, p) 58Co reaction was used for the fast flux determination. An interpolation technique based on local procedures was applied to fit the cross sections data and the neutron flux spectrum. End results show a maximum thermal flux increase of 105% at the source level, pointing to a high potential to increase in the available thermal flux for future experiments. The increase in thermal flux is not accompanied by a comparable decrease in epithermal or fast flux, since thermal flux gain is higher than epithermal and fast neutron flux loss. So, the neutron reflection is mainly responsible for the thermal neutron increase, contributing to 89% at the central axial position.

Degradation kinetics of ptaquiloside in soil and soil solution.

PubMed

Ovesen, Rikke Gleerup; Rasmussen, Lars Holm; Hansen, Hans Christian Bruun

2008-02-01

Ptaquiloside (PTA) is a carcinogenic norsesquiterpene glycoside produced in bracken (Pteridium aquilinum (L.) Kuhn), a widespread, aggressive weed. Transfer of PTA to soil and soil solution eventually may contaminate groundwater and surface water. Degradation rates of PTA were quantified in soil and soil solutions in sandy and clayey soils subjected to high natural PTA loads from bracken stands. Degradation kinetics in moist soil could be fitted with the sum of a fast and a slow first-order reaction; the fast reaction contributed 20 to 50% of the total degradation of PTA. The fast reaction was similar in all horizons, with the rate constant k(1F) ranging between 0.23 and 1.5/h. The slow degradation, with the rate constant k(1S) ranging between 0.00067 and 0.029/ h, was more than twice as fast in topsoils compared to subsoils, which is attributable to higher microbial activity in topsoils. Experiments with sterile controls confirmed that nonmicrobial degradation processes constituted more than 90% of the fast degradation and 50% of the slow degradation. The lower nonmicrobial degradation rate observed in the clayey compared with the sandy soil is attributed to a stabilizing effect of PTA by clay silicates. Ptaquiloside appeared to be stable in all soil solutions, in which no degradation was observed within a period of 28 d, in strong contrast to previous studies of hydrolysis rates in artificial aqueous electrolytes. The present study predicts that the risk of PTA leaching is controlled mainly by the residence time of pore water in soil, soil microbial activity, and content of organic matter and clay silicates.

Force feedback effects on single molecule hopping and pulling experiments

NASA Astrophysics Data System (ADS)

Rico-Pasto, M.; Pastor, I.; Ritort, F.

2018-03-01

Single-molecule experiments with optical tweezers have become an important tool to study the properties and mechanisms of biological systems, such as cells and nucleic acids. In particular, force unzipping experiments have been used to extract the thermodynamics and kinetics of folding and unfolding reactions. In hopping experiments, a molecule executes transitions between the unfolded and folded states at a preset value of the force [constant force mode (CFM) under force feedback] or trap position [passive mode (PM) without feedback] and the force-dependent kinetic rates extracted from the lifetime of each state (CFM) and the rupture force distributions (PM) using the Bell-Evans model. However, hopping experiments in the CFM are known to overestimate molecular distances and folding free energies for fast transitions compared to the response time of the feedback. In contrast, kinetic rate measurements from pulling experiments have been mostly done in the PM while the CFM is seldom implemented in pulling protocols. Here, we carry out hopping and pulling experiments in a short DNA hairpin in the PM and CFM at three different temperatures (6 °C, 25 °C, and 45 °C) exhibiting largely varying kinetic rates. As expected, we find that equilibrium hopping experiments in the CFM and PM perform well at 6 °C (where kinetics are slow), whereas the CFM overestimates molecular parameters at 45 °C (where kinetics are fast). In contrast, nonequilibrium pulling experiments perform well in both modes at all temperatures. This demonstrates that the same kind of feedback algorithm in the CFM leads to more reliable determination of the folding reaction parameters in irreversible pulling experiments.

Force feedback effects on single molecule hopping and pulling experiments.

PubMed

Rico-Pasto, M; Pastor, I; Ritort, F

2018-03-28

Single-molecule experiments with optical tweezers have become an important tool to study the properties and mechanisms of biological systems, such as cells and nucleic acids. In particular, force unzipping experiments have been used to extract the thermodynamics and kinetics of folding and unfolding reactions. In hopping experiments, a molecule executes transitions between the unfolded and folded states at a preset value of the force [constant force mode (CFM) under force feedback] or trap position [passive mode (PM) without feedback] and the force-dependent kinetic rates extracted from the lifetime of each state (CFM) and the rupture force distributions (PM) using the Bell-Evans model. However, hopping experiments in the CFM are known to overestimate molecular distances and folding free energies for fast transitions compared to the response time of the feedback. In contrast, kinetic rate measurements from pulling experiments have been mostly done in the PM while the CFM is seldom implemented in pulling protocols. Here, we carry out hopping and pulling experiments in a short DNA hairpin in the PM and CFM at three different temperatures (6 °C, 25 °C, and 45 °C) exhibiting largely varying kinetic rates. As expected, we find that equilibrium hopping experiments in the CFM and PM perform well at 6 °C (where kinetics are slow), whereas the CFM overestimates molecular parameters at 45 °C (where kinetics are fast). In contrast, nonequilibrium pulling experiments perform well in both modes at all temperatures. This demonstrates that the same kind of feedback algorithm in the CFM leads to more reliable determination of the folding reaction parameters in irreversible pulling experiments.

STS-107 Columbia rollout to Launch Pad 39A

NASA Technical Reports Server (NTRS)

2002-01-01

KENNEDY SPACE CENTER, FLA. -- Space Shuttle Columbia, framed by trees near the Banana River, rolls towards Launch Pad 39A, sitting atop the Mobile Launcher Platform, which in turn is carried by the crawler-transporter underneath. The STS-107 research mission comprises experiments ranging from material sciences to life sciences (many rats), plus the Fast Reaction Experiments Enabling Science, Technology, Applications and Research (FREESTAR) that incorporates eight high priority secondary attached shuttle experiments. Mission STS-107 is scheduled to launch Jan. 16, 2003.

Electron-transfer dynamics in highly reduced states of simple and superstructured metalloporphyrins

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anxolabehere, E.; Lexa, D.; Saveant, J.M.

1992-02-06

The standard rate constants of the Fe(I){sup -}/Fe({open_quotes}0{close_quotes}){sup 2-} couple in a series of four simple and basket-handle superstructured porphyrins have been measured by means of fast cyclic voltammetry at mercury and gold ultramicroelectrodes. Analysis of the experimental data by the Marcus-Hush model revealed that the main rate-controlling factor of these very fast electron-transfer reactions is solvent reorganization. The presence of secondary amide groups borne by the basket-handle structure and located in the close vicinity of the metalloporphyrin center largely facilitates the reaction from a thermodynamic viewpoint. This facilitation of the reaction is not counterbalanced by any significant contribution ofmore » the fluctuational reorganization of the NHCO dipoles thanks to their attachment to the basket-handle chains. A few complementary experiments were carried out with zinc and copper porphyrins where the same general trends were observed. 16 refs., 3 figs., 2 tabs.« less

KSC-02pd0758

NASA Image and Video Library

2002-05-24

KENNEDY SPACE CENTER, FLA. -- Dressed in a bunny suit, STS-107 Payload Specialist Ilan Ramon, who is with the Israeli Space Agency, reviews data in Columbia's payload bay for Fast Reaction Experiments Enabling Science, Technology, Applications and Research (FREESTAR) experiments for the mission. FREESTAR comprises Mediterranean Israeli Dust, Solar Constant, Shuttle Ozone Limb Sounding, Critical Viscosity of Xenon, Low Power, and Space Experimental Module experiments. Another payload is the SHI Research Double Module (SHI/RDM), also known as SPACEHAB. The experiments range from material sciences to life sciences. STS-107 is scheduled to launch July 11, 2002

Reaction-time-resolved measurements of laser-induced fluorescence in a shock tube with a single laser pulse

NASA Astrophysics Data System (ADS)

Zabeti, S.; Fikri, M.; Schulz, C.

2017-11-01

Shock tubes allow for the study of ultra-fast gas-phase reactions on the microsecond time scale. Because the repetition rate of the experiments is low, it is crucial to gain as much information as possible from each individual measurement. While reaction-time-resolved species concentration and temperature measurements with fast absorption methods are established, conventional laser-induced fluorescence (LIF) measurements with pulsed lasers provide data only at a single reaction time. Therefore, fluorescence methods have rarely been used in shock-tube diagnostics. In this paper, a novel experimental concept is presented that allows reaction-time-resolved LIF measurements with one single laser pulse using a test section that is equipped with several optical ports. After the passage of the shock wave, the reactive mixture is excited along the center of the tube with a 266-nm laser beam directed through a window in the end wall of the shock tube. The emitted LIF signal is collected through elongated sidewall windows and focused onto the entrance slit of an imaging spectrometer coupled to an intensified CCD camera. The one-dimensional spatial resolution of the measurement translates into a reaction-time-resolved measurement while the species information can be gained from the spectral axis of the detected two-dimensional image. Anisole pyrolysis was selected as the benchmark reaction to demonstrate the new apparatus.

Gasometric Determination of CO[subscript 2] Released from Carbonate Materials

ERIC Educational Resources Information Center

Fagerlund, Johan; Zevenhoven, Ron; Hulden, Stig-Goran; Sodergard, Berndt

2010-01-01

To determine the carbonation degree of materials used in mineral carbonation experiments, a fast, simple, and sufficiently accurate method is required. For this purpose, a method based on the reaction between carbonates and hydrochloric acid was developed. It was noted that this method could also be used to teach undergraduate students some basic…

Associative desorption of hydrogen isotopologues from copper surfaces: Characterization of two reaction mechanisms

NASA Astrophysics Data System (ADS)

Kaufmann, Sven; Shuai, Quan; Auerbach, Daniel J.; Schwarzer, Dirk; Wodtke, Alec M.

2018-05-01

We report quantum-state resolved measurements of angular and velocity distributions of the associative desorption of H2, HD, and D2 from Cu(111) and Cu(211) surfaces. The desorbing molecules have bimodal velocity distributions comprising a "fast" channel and a "slow" channel on both facets. The "fast channel" is promoted by both hydrogen incidence translational and vibrational energy, while the "slow channel" is promoted by vibrational energy but inhibited by translational energy. Using detailed balance, we determine state-specific reaction probabilities for dissociative adsorption and compare these to theoretical calculations. The results for the activation barrier for the "fast channel" on Cu(111) are in agreement with theory within "chemical accuracy" (1 kcal/mole). Results on the Cu(211) facet provide direct information on the effect of increasing step density, which is commonly believed to increase reactivity. Differences in reactivity on the (111) and (211) facets are subtle - quantum state specific reactivity on the (211) surface is characterized by a broader distribution of barrier heights whose average values are higher than for reaction on (111). We fully characterize the "slow channel," which has not been found in theoretical calculations although it makes up a large fraction of the reactivity in these experiments.

Stress reaction process-based hierarchical recognition algorithm for continuous intrusion events in optical fiber prewarning system

NASA Astrophysics Data System (ADS)

Qu, Hongquan; Yuan, Shijiao; Wang, Yanping; Yang, Dan

2018-04-01

To improve the recognition performance of optical fiber prewarning system (OFPS), this study proposed a hierarchical recognition algorithm (HRA). Compared with traditional methods, which employ only a complex algorithm that includes multiple extracted features and complex classifiers to increase the recognition rate with a considerable decrease in recognition speed, HRA takes advantage of the continuity of intrusion events, thereby creating a staged recognition flow inspired by stress reaction. HRA is expected to achieve high-level recognition accuracy with less time consumption. First, this work analyzed the continuity of intrusion events and then presented the algorithm based on the mechanism of stress reaction. Finally, it verified the time consumption through theoretical analysis and experiments, and the recognition accuracy was obtained through experiments. Experiment results show that the processing speed of HRA is 3.3 times faster than that of a traditional complicated algorithm and has a similar recognition rate of 98%. The study is of great significance to fast intrusion event recognition in OFPS.

Studying Reaction Intermediates Formed at Graphenic Surfaces

NASA Astrophysics Data System (ADS)

Sarkar, Depanjan; Sen Gupta, Soujit; Narayanan, Rahul; Pradeep, Thalappil

2014-03-01

We report in-situ production and detection of intermediates at graphenic surfaces, especially during alcohol oxidation. Alcohol oxidation to acid occurs on graphene oxide-coated paper surface, driven by an electrical potential, in a paper spray mass spectrometry experiment. As paper spray ionization is a fast process and the time scale matches with the reaction time scale, we were able to detect the intermediate, acetal. This is the first observation of acetal formed in surface oxidation. The process is not limited to alcohols and the reaction has been extended to aldehydes, amines, phosphenes, sugars, etc., where reaction products were detected instantaneously. By combining surface reactions with ambient ionization and mass spectrometry, we show that new insights into chemical reactions become feasible. We suggest that several other chemical transformations may be studied this way. This work opens up a new pathway for different industrially and energetically important reactions using different metal catalysts and modified substrate.

Trainable Nonlinear Reaction Diffusion: A Flexible Framework for Fast and Effective Image Restoration.

PubMed

Chen, Yunjin; Pock, Thomas

2017-06-01

Image restoration is a long-standing problem in low-level computer vision with many interesting applications. We describe a flexible learning framework based on the concept of nonlinear reaction diffusion models for various image restoration problems. By embodying recent improvements in nonlinear diffusion models, we propose a dynamic nonlinear reaction diffusion model with time-dependent parameters (i.e., linear filters and influence functions). In contrast to previous nonlinear diffusion models, all the parameters, including the filters and the influence functions, are simultaneously learned from training data through a loss based approach. We call this approach TNRD-Trainable Nonlinear Reaction Diffusion. The TNRD approach is applicable for a variety of image restoration tasks by incorporating appropriate reaction force. We demonstrate its capabilities with three representative applications, Gaussian image denoising, single image super resolution and JPEG deblocking. Experiments show that our trained nonlinear diffusion models largely benefit from the training of the parameters and finally lead to the best reported performance on common test datasets for the tested applications. Our trained models preserve the structural simplicity of diffusion models and take only a small number of diffusion steps, thus are highly efficient. Moreover, they are also well-suited for parallel computation on GPUs, which makes the inference procedure extremely fast.

Multiscale stochastic simulations of chemical reactions with regulated scale separation

NASA Astrophysics Data System (ADS)

Koumoutsakos, Petros; Feigelman, Justin

2013-07-01

We present a coupling of multiscale frameworks with accelerated stochastic simulation algorithms for systems of chemical reactions with disparate propensities. The algorithms regulate the propensities of the fast and slow reactions of the system, using alternating micro and macro sub-steps simulated with accelerated algorithms such as τ and R-leaping. The proposed algorithms are shown to provide significant speedups in simulations of stiff systems of chemical reactions with a trade-off in accuracy as controlled by a regulating parameter. More importantly, the error of the methods exhibits a cutoff phenomenon that allows for optimal parameter choices. Numerical experiments demonstrate that hybrid algorithms involving accelerated stochastic simulations can be, in certain cases, more accurate while faster, than their corresponding stochastic simulation algorithm counterparts.

Experimental and Computational Interrogation of Fast SCR Mechanism and Active Sites on H-Form SSZ-13

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Sichi; Zheng, Yang; Gao, Feng

Experiment and density functional theory (DFT) models are combined to develop a unified, quantitative model of the mechanism and kinetics of fast selective catalytic reduction (SCR) of NO/NO2 mixtures over H-SSZ-13 zeolite. Rates, rate orders, and apparent activation energies collected under differential conditions reveal two distinct kinetic regimes. First-principles thermodynamics simulations are used to determine the relative coverages of free Brønsted sites, chemisorbed NH4+ and physisorbed NH3 as a function of reaction conditions. First-principles metadynamics calculations show that all three sites can contribute to the rate-limiting N-N bond forming step in fast SCR. The results are used to parameterize amore » kinetic model that encompasses the full range of reaction conditions and recovers observed rate orders and apparent activation energies. Observed kinetic regimes are related to changes in most-abundant surface intermediates. Financial support was provided by the National Science Foundation GAOLI program under award number 1258690-CBET. We thank the Center for Research Computing at Notre« less

KSC-03pd0105

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. - STS-107 Payload Commander Michael Anderson is happy to being suiting up for launch on mission STS-107. The mission is devoted to research and will include more than 80 experiments that will study Earth and space science, advanced technology development, and astronaut health and safety. The payload on Space Shuttle Columbia includes FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Liftoff is scheduled for 10:39 a.m. EST.

KSC-02pd0757

NASA Image and Video Library

2002-05-24

KENNEDY SPACE CENTER, FLA. -- Dressed in bunny suits, STS-107 Payload Commander Michael Anderson (left) and 107 Payload Specialist Ilan Ramon (right), who is with the Israeli Space Agency, review data in Columbia's payload bay for the Fast Reaction Experiments Enabling Science, Technology, Applications and Research (FREESTAR) experiments for the mission. FREESTAR comprises Mediterranean Israeli Dust, Solar Constant, Shuttle Ozone Limb Sounding, Critical Viscosity of Xenon, Low Power, and Space Experimental Module experiments. Another payload is the SHI Research Double Module (SHI/RDM), also known as SPACEHAB. The experiments range from material sciences to life sciences. STS-107 is scheduled to launch July 11, 2002

KSC-02pd0755

NASA Image and Video Library

2002-05-24

KENNEDY SPACE CENTER, FLA. -- Dressed in bunny suits, STS-107 Payload Commander Michael Anderson (left) and 107 Payload Specialist Ilan Ramon, with the Israeli Space Agency, are ready to enter Columbia's payload bay to work on Fast Reaction Experiments Enabling Science, Technology, Applications and Research (FREESTAR) experiments for the mission. FREESTAR comprises Mediterranean Israeli Dust, Solar Constant, Shuttle Ozone Limb Sounding, Critical Viscosity of Xenon, Low Power, and Space Experimental Module experiments. Another payload is the SHI Research Double Module (SHI/RDM), also known as SPACEHAB. The experiments range from material sciences to life sciences. STS-107 is scheduled to launch July 11, 2002

Cherenkov neutron detector for fusion reaction and runaway electron diagnostics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheon, MunSeong, E-mail: munseong@nfri.re.kr; Kim, Junghee

2015-08-15

A Cherenkov-type neutron detector was newly developed and neutron measurement experiments were performed at Korea Superconducting Tokamak Advanced Research. It was shown that the Cherenkov neutron detector can monitor the time-resolved neutron flux from deuterium-fueled fusion plasmas. Owing to the high temporal resolution of the detector, fast behaviors of runaway electrons, such as the neutron spikes, could be observed clearly. It is expected that the Cherenkov neutron detector could be utilized to provide useful information on runaway electrons as well as fusion reaction rate in fusion plasmas.

Supramolecular water oxidation with Ru-bda-based catalysts.

PubMed

Richmond, Craig J; Matheu, Roc; Poater, Albert; Falivene, Laura; Benet-Buchholz, Jordi; Sala, Xavier; Cavallo, Luigi; Llobet, Antoni

2014-12-22

Extremely slow and extremely fast new water oxidation catalysts based on the Ru-bda (bda=2,2'-bipyridine-6,6'-dicarboxylate) systems are reported with turnover frequencies in the range of 1 and 900 cycles s(-1) , respectively. Detailed analyses of the main factors involved in the water oxidation reaction have been carried out and are based on a combination of reactivity tests, electrochemical experiments, and DFT calculations. These analyses give a convergent interpretation that generates a solid understanding of the main factors involved in the water oxidation reaction, which in turn allows the design of catalysts with very low energy barriers in all the steps involved in the water oxidation catalytic cycle. We show that for this type of system π-stacking interactions are the key factors that influence reactivity and by adequately controlling them we can generate exceptionally fast water oxidation catalysts. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Compact fission counter for DANCE

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, C Y; Chyzh, A; Kwan, E

2010-11-06

The Detector for Advanced Neutron Capture Experiments (DANCE) consists of 160 BF{sub 2} crystals with equal solid-angle coverage. DANCE is a 4{pi} {gamma}-ray calorimeter and designed to study the neutron-capture reactions on small quantities of radioactive and rare stable nuclei. These reactions are important for the radiochemistry applications and modeling the element production in stars. The recognition of capture event is made by the summed {gamma}-ray energy which is equivalent of the reaction Q-value and unique for a given capture reaction. For a selective group of actinides, where the neutron-induced fission reaction competes favorably with the neutron capture reaction, additionalmore » signature is needed to distinguish between fission and capture {gamma} rays for the DANCE measurement. This can be accomplished by introducing a detector system to tag fission fragments and thus establish a unique signature for the fission event. Once this system is implemented, one has the opportunity to study not only the capture but also fission reactions. A parallel-plate avalanche counter (PPAC) has many advantages for the detection of heavy charged particles such as fission fragments. These include fast timing, resistance to radiation damage, and tolerance of high counting rate. A PPAC also can be tuned to be insensitive to {alpha} particles, which is important for experiments with {alpha}-emitting actinides. Therefore, a PPAC is an ideal detector for experiments requiring a fast and clean trigger for fission. A PPAC with an ingenious design was fabricated in 2006 by integrating amplifiers into the target assembly. However, this counter was proved to be unsuitable for this application because of issues related to the stability of amplifiers and the ability to separate fission fragments from {alpha}'s. Therefore, a new design is needed. A LLNL proposal to develop a new PPAC for DANCE was funded by NA22 in FY09. The design goal is to minimize the mass for the proposed counter and still be able to maintain a stable operation under extreme radioactivity and the ability to separate fission fragments from {alpha}'s. In the following sections, the description is given for the design and performance of this new compact PPAC, for studying the neutron-induced reactions on actinides using DANCE at LANL.« less

A fast and complete GEANT4 and ROOT Object-Oriented Toolkit: GROOT

NASA Astrophysics Data System (ADS)

Lattuada, D.; Balabanski, D. L.; Chesnevskaya, S.; Costa, M.; Crucillà, V.; Guardo, G. L.; La Cognata, M.; Matei, C.; Pizzone, R. G.; Romano, S.; Spitaleri, C.; Tumino, A.; Xu, Y.

2018-01-01

Present and future gamma-beam facilities represent a great opportunity to validate and evaluate the cross-sections of many photonuclear reactions at near-threshold energies. Monte Carlo (MC) simulations are very important to evaluate the reaction rates and to maximize the detection efficiency but, unfortunately, they can be very cputime-consuming and in some cases very hard to reproduce, especially when exploring near-threshold cross-section. We developed a software that makes use of the validated tracking GEANT4 libraries and the n-body event generator of ROOT in order to provide a fast, realiable and complete MC tool to be used for nuclear physics experiments. This tool is indeed intended to be used for photonuclear reactions at γ-beam facilities with ELISSA (ELI Silicon Strip Array), a new detector array under development at the Extreme Light Infrastructure - Nuclear Physics (ELI-NP). We discuss the results of MC simulations performed to evaluate the effects of the electromagnetic induced background, of the straggling due to the target thickness and of the resolution of the silicon detectors.

Experiment and Theory for Nuclear Reactions in Nano-Materials Show e14 - e16 Solid-State Fusion Reactions

NASA Astrophysics Data System (ADS)

George, Russ

2005-03-01

Nano-lattices of deuterium loving metals exhibit coherent behavior by populations of deuterons (d's) occupying a Bloch state. Therein, coherent d-overlap occurs wherein the Bloch condition reduces the Coulomb barrier.Overlap of dd pairs provides a high probability fusion will/must occur. SEM photo evidence showing fusion events is now revealed by laboratories that load or flux d into metal nano-domains. Solid-state dd fusion creates an excited ^4He nucleus entangled in the large coherent population of d's.This contrasts with plasma dd fusion in collision space where an isolated excited ^4He nucleus seeks the ground state via fast particle emission. In momentum limited solid state fusion,fast particle emission is effectively forbidden.Photographed nano-explosive events are beyond the scope of chemistry. Corroboration of the nuclear nature derives from photographic observation of similar events on spontaneous fission, e.g. Cf. We present predictive theory, heat production, and helium isotope data showing reproducible e14 to e16 solid-state fusion reactions.

Pionic Fusion of 4He +12 C

NASA Astrophysics Data System (ADS)

Zarrella, Andrew; Yennello, Sherry

2017-09-01

Pionic fusion is the process by which two nuclei fuse and then deexcite by the exclusive emission of a pion. These reactions represent the most extreme examples of deep subthreshold pion production and provide evidence for an unknown, collective mechanism for pion production. An experiment was performed at the Texas A&M University Cyclotron Institute to measure the cross section of the 4He +12 C -> 16N +π+ reaction. The Momentum Achromat Recoil Spectrometer (MARS) was used to separate and identify the 16N fusion residues and the newly constructed Partial Truncated Icosahedron (ParTI) phoswich array was used to identify charged pions. The detector responses for each phoswich unit were recorded using fast-sampling ADCs which allow all light charged particles in the ParTI phoswiches to be identified using ``fast vs. slow'' pulse shape discrimination. By writing the waveform responses, pions can also be identified by the presence of a characteristic muon decay pulse. The combination of the residue-pion coincidence and the two independent pion identification techniques represent a highly sensitive experimental design for studying pionic fusion reactions.

The effect of presentation rate on implicit sequence learning in aging.

PubMed

Foster, Chris M; Giovanello, Kelly S

2017-02-01

Implicit sequence learning is thought to be preserved in aging when the to-be learned associations are first-order; however, when associations are second-order, older adults (OAs) tend to experience deficits as compared to young adults (YAs). Two experiments were conducted using a first (Experiment 1) and second-order (Experiment 2) serial-reaction time task. Stimuli were presented at a constant rate of either 800 milliseconds (fast) or 1200 milliseconds (slow). Results indicate that both age groups learned first-order dependencies equally in both conditions. OAs and YAs also learned second-order dependencies, but the learning of lag-2 information was significantly impacted by the rate of presentation for both groups. OAs showed significant lag-2 learning in slow condition while YAs showed significant lag-2 learning in the fast condition. The sensitivity of implicit sequence learning to the rate of presentation supports the idea that OAs and YAs different processing speeds impact the ability to build complex associations across time and intervening events.

Pulsed corona discharge: the role of ozone and hydroxyl radical in aqueous pollutants oxidation.

PubMed

Preis, S; Panorel, I C; Kornev, I; Hatakka, H; Kallas, J

2013-01-01

Ozone and hydroxyl radical are the most active oxidizing species in water treated with gas-phase pulsed corona discharge (PCD). The ratio of the species dependent on the gas phase composition and treated water contact surface was the objective for the experimental research undertaken for aqueous phenol (fast reaction) and oxalic acid (slow reaction) solutions. The experiments were carried out in the reactor, where aqueous solutions showered between electrodes were treated with 100-ns pulses of 20 kV voltage and 400 A current amplitude. The role of ozone increased with increasing oxygen concentration and the oxidation reaction rate. The PCD treatment showed energy efficiency surpassing that of conventional ozonation.

KSC-02pd1763

NASA Image and Video Library

2002-11-20

KENNEDY SPACE CENTER, FLA. -- Space Shuttle Columbia is being moved to the Vehicle Assembly Building where processing will continue for the flight of mission STS-107. Launch is now targeted for no earlier than Jan. 16, 2003. The STS-107 mission will be dedicated to microgravity research. The payloads include the Hitchhiker Bridge, a carrier for the Fast Reaction Experiments Enabling Science, Technology, Applications and Research (FREESTAR) incorporating eight high priority secondary attached Shuttle experiments, and the SHI Research Double Module (SHI/RDM), also known as SPACEHAB.

KSC-02pd1198

NASA Image and Video Library

2002-08-19

KENNEDY SPACE CENTER, FLA. -- Only the nose and tail of Columbia are visible as it sits inside an protective tent used to keep out moisture. The orbiter is next scheduled to fly on mission STS-107 no earlier than Nov. 29. STS-107 is a research mission. The payload includes the Hitchhiker Bridge, a carrier for the Fast Reaction Experiments Enabling Science, Technology, Applications and Research (FREESTAR) that incorporates eight high priority secondary attached shuttle experiments, plus the SHI Research Double Module (SHI/RDM), also known as SPACEHAB.

Fast Abiotic Production of Methane at Temperatures Below 100°C

NASA Astrophysics Data System (ADS)

Etiope, G.; Ionescu, A.

2015-12-01

Fischer-Tropsch Type (FTT) reactions, e.g., the Sabatier synthesis between H2 and CO2, are considered a main source of abiotic methane on Earth and likely on other planets. Several laboratory FTT experiments demonstrated abiotic CH4 production at temperatures above 200°C, by using Fe, Ni or Cr catalysts, simulating hydrothermal conditions in peridotite-hosted systems in mid-ocean ridges. Nevertheless, at least on laboratory experiment time-scale, Fe-Ni-Cr catalysts do not support CH4 generation at T<100°C, such as those of land-based serpentinization systems. We have recently reported rapid production of considerable amounts of CH4 (>800 ppmv in 155 mL bottles after 1 day) via Sabatier reaction at 90, 50 and 25°C, using small concentrations of non-pretreated ruthenium (Ru) equivalent to those occurring in chromitites in continental ultramafic rocks (Etiope & Ionescu, 2014; Geofluids, doi:10.1111/gfl.12106). We have repeated the experiments by using 13C-enriched CO2 and we confirm fast production of CH4at percentage levels. The experiments performed so far show that: 1. considerable amounts of CH4can be produced in dry conditions below 100°C with small quantities of Ru; 2. under the same experimental conditions (<100°C), Fe, Ni and Cr oxides do not produce CH4; 3. low T Sabatier reaction can produce CH4 with a large C isotope fractionation between CO2 and CH4, leading to relatively " light" (13C-depleted) CH4, resembling microbial gas; 4. the CO2-CH4isotope separation decreases over time and by increasing the temperature; 5. minor amounts of C2-C6hydrocarbons are also generated. Our laboratory data are compatible with the isotopic patterns of CH4 naturally occurring in land-based seeps and springs. Our experiments suggest that Ru-enriched chromitites could potentially generate CH4 at low T. Since Ru is reported in Martian meteorites, low T abiotic CH4 production on Mars via Sabatier reaction cannot be excluded (Etiope et al. 2013, Icarus, 224, 276-285).

Future research program on prompt γ-ray emission in nuclear fission

NASA Astrophysics Data System (ADS)

Oberstedt, S.; Billnert, R.; Hambsch, F.-J.; Lebois, M.; Oberstedt, A.; Wilson, J. N.

2015-12-01

In recent years the measurement of prompt fission γ-ray spectra (PFGS) has gained renewed interest, after about forty years since the first comprehensive studies of the reactions 235U(n th , f), 239Pu(n th ,f) and 252Cf(sf). The renaissance was initiated by requests for new values especially for γ-ray multiplicity and average total energy release per fission in neutron-induced fission of 235U and 239Pu. Both isotopes are considered the most important ones with respect to the modeling of innovative cores required for the Generation-IV reactors, the majority working with fast neutrons. During the last 5 years we have conducted a systematic study of spectral data for thermal-neutron-induced fission on 235U and 241Pu as well as for the spontaneous fission of 252Cf with unprecedented accuracy. From the new data we conclude that those reactions do not considerably contribute to the observed heat excess and suspect other reactions playing a significant role. Possible contributions may originate from fast-neutron-induced reactions on 238U, which is largely present in the fuel, or from γ-induced fission from neutron capture in the construction material. A first experiment campaign on prompt γ-ray emission from fast-neutron-induced fission on 235,238U was successfully performed in order to test our assumptions. In the following we attempt to summarize, what has been done in the field to date, and to motivate future measurement campaigns exploiting dedicated neutron and photon beams as well as upcoming highly efficient detector assemblies.

An Undergraduate Investigation into the 10-23 DNA Enzyme that Cleaves RNA: DNA Can Cut It in the Biochemistry Laboratory

ERIC Educational Resources Information Center

Flynn-Charlebois, Amber; Burns, Jamie; Chapelliquen, Stephanie; Sanmartino, Holly

2011-01-01

A low-cost biochemistry experiment is described that demonstrates current techniques in the use of catalytic DNA molecules and introduces a nonradioactive, nonfluorescent, inexpensive, fast, and safe method for monitoring these nucleic acid reactions. The laboratory involves the exploration of the 10-23 DNA enzyme as it cleaves a specific RNA…

Uncertainties in s-process nucleosynthesis in massive stars determined by Monte Carlo variations

NASA Astrophysics Data System (ADS)

Nishimura, N.; Hirschi, R.; Rauscher, T.; St. J. Murphy, A.; Cescutti, G.

2017-08-01

The s-process in massive stars produces the weak component of the s-process (nuclei up to A ˜ 90), in amounts that match solar abundances. For heavier isotopes, such as barium, production through neutron capture is significantly enhanced in very metal-poor stars with fast rotation. However, detailed theoretical predictions for the resulting final s-process abundances have important uncertainties caused both by the underlying uncertainties in the nuclear physics (principally neutron-capture reaction and β-decay rates) as well as by the stellar evolution modelling. In this work, we investigated the impact of nuclear-physics uncertainties relevant to the s-process in massive stars. Using a Monte Carlo based approach, we performed extensive nuclear reaction network calculations that include newly evaluated upper and lower limits for the individual temperature-dependent reaction rates. We found that most of the uncertainty in the final abundances is caused by uncertainties in the neutron-capture rates, while β-decay rate uncertainties affect only a few nuclei near s-process branchings. The s-process in rotating metal-poor stars shows quantitatively different uncertainties and key reactions, although the qualitative characteristics are similar. We confirmed that our results do not significantly change at different metallicities for fast rotating massive stars in the very low metallicity regime. We highlight which of the identified key reactions are realistic candidates for improved measurement by future experiments.

Kinetic Analysis of the Main Temperature Stage of Fast Pyrolysis

NASA Astrophysics Data System (ADS)

Yang, Xiaoxiao; Zhao, Yuying; Xu, Lanshu; Li, Rui

2017-10-01

Kinetics of the thermal decomposition of eucalyptus chips was evaluated using a high-rate thermogravimetric analyzer (BL-TGA) designed by our research group. The experiments were carried out under non-isothermal condition in order to determine the fast pyrolysis behavior of the main temperature stage (350-540ºC) at heating rates of 60, 120, 180, and 360ºC min-1. The Coats-Redfern integral method and four different reaction mechanism models were adopted to calculate the kinetic parameters including apparent activation energy and pre-exponential factor, and the Flynn-Wall-Ozawa method was employed to testify apparent activation energy. The results showed that estimation value was consistent with the values obtained by linear fitting equations, and the best-fit model for fast pyrolysis was found.

Ground water pollution by roof runoff infiltration evidenced with multi-tracer experiments.

PubMed

Ammann, Adrian A; Hoehn, Eduard; Koch, Sabine

2003-03-01

The infiltration of urban roof runoff into well permeable subsurface material may have adverse effects on the ground water quality and endanger drinking water resources. Precipitation water from three different roofs of an industrial complex was channelled to a pit and infiltrated into a perialpine glaciofluvial gravel-and-sand aquifer. A shaft was constructed at the bottom of the pit and equipped with an array of TDR probes, lysimeters and suction cups that allowed measuring and sampling soil water at different depths. A fast infiltration flow was observed during natural rainfall events and during artificial infiltration experiments. For a better understanding of the behaviour of contaminants, experiments were conducted with cocktails of compounds of different reactivity (ammonium, strontium, atratone) and of non-reactive tracers (uranine, bromide, naphthionate), which represent different classes of pollutants. The experiment identified cation exchange reactions influencing the composition of the infiltrating water. These processes occurred under preferential flow conditions in macropores of the material. Measuring concentration changes under the controlled inflow of tracer experiments, the pollution potential was found to be high. Non-reactive tracers exhibited fast breakthrough and little sorption.

Fast dye salts provide fast access to azidoarene synthons in multi-step one-pot tandem click transformations

PubMed Central

Fletcher, James T.; Reilly, Jacquelline E.

2012-01-01

This study examined whether commercially available diazonium salts could be used as efficient aromatic azide precursors in one-pot multi-step click transformations. Seven different diazonium salts, including Fast Red RC, Fast Blue B, Fast Corinth V and Variamine Blue B were surveyed under aqueous click reaction conditions of CuSO4/Na ascorbate catalyst with 1:1 t-BuOH:H2O solvent. Two-step tandem reactions with terminal alkyne and diyne co-reactants led to 1,2,3-triazole products in 66%-88% yields, while three-step tandem reactions with trimethylsilyl-protected alkyne and diyne co-reactants led to 1,2,3-triazole products in 61%-78% yields. PMID:22368306

An easy access to nanocrystalline alkaline earth metal fluorides - just by shaking

NASA Astrophysics Data System (ADS)

Dreger, M.; Scholz, G.; Kemnitz, E.

2012-04-01

High energy ball milling as fast, direct and solvent free method allows an easy access to nanocrystalline alkaline earth metal fluorides MF2 (M: Mg, Ca, Sr, Ba). Comparable metal sources (acetates, carbonates, hydroxides, alkoxides) were used for the reaction with NH4F as fluorinating agent. Even very simple manual shaking experiments between NH4F and the corresponding hydroxides in the stoichiometric ratio (M:F = 1:2, M: Ca, Sr, Ba) give phase pure fluorides. Moreover, comparable classical thermal reactions in closed crucibles at higher temperatures provide phase pure crystalline fluorides in nearly all cases as well.

42 CFR 493.1262 - Standard: Mycobacteriology.

Code of Federal Regulations, 2010 CFR

2010-10-01

... or test procedures used for mycobacteria identification with at least one acid-fast organism that produces a positive reaction and an acid-fast organism that produces a negative reaction. (b) For...

42 CFR 493.1262 - Standard: Mycobacteriology.

Code of Federal Regulations, 2011 CFR

2011-10-01

... or test procedures used for mycobacteria identification with at least one acid-fast organism that produces a positive reaction and an acid-fast organism that produces a negative reaction. (b) For...

42 CFR 493.1262 - Standard: Mycobacteriology.

Code of Federal Regulations, 2014 CFR

2014-10-01

... or test procedures used for mycobacteria identification with at least one acid-fast organism that produces a positive reaction and an acid-fast organism that produces a negative reaction. (b) For...

42 CFR 493.1262 - Standard: Mycobacteriology.

Code of Federal Regulations, 2013 CFR

2013-10-01

... or test procedures used for mycobacteria identification with at least one acid-fast organism that produces a positive reaction and an acid-fast organism that produces a negative reaction. (b) For...

42 CFR 493.1262 - Standard: Mycobacteriology.

Code of Federal Regulations, 2012 CFR

2012-10-01

... or test procedures used for mycobacteria identification with at least one acid-fast organism that produces a positive reaction and an acid-fast organism that produces a negative reaction. (b) For...

Modification of the D2 radial wavefunction by near resonant compact states

NASA Astrophysics Data System (ADS)

Hagelstein, Peter L.

2003-03-01

We have proposed that phonon exchange can occur in the presence of a highly excited optical phonon mode during a dd-fusion reaction. We have also suggested (P. L. Hagelstein, Bull. APS 45, 235 (2000)) at new second-order site-other-site reactions can occur when the energy of a fusion reaction is transferred elsewhere. Fast particle ejecta from the experiments of Chambers( G. P. Chambers, et al, J. Fusion Energy, Vol. 9, p. 281 (1990).) and of Cecil (F. E. Cecil, et al, AIP Conf. Proc. Vol. 228, p. 383 (1990).) appear to be consistent with such a mechanism, in which a dd-fusion reaction at one site is coupled to a disintegration at another site. The dominant process of this type is the null reaction in which dd-fusion is coupled to He-4 dissociation. This process can lead to compact dd-states(P. L. Hagelstein, Bull. APS 2001), and is consistent with the Kasagi experiment(J. Kasagi et al, J. Phys. Soc. Japan 64, 777 (1995). ). We find that compact states near resonance with the molecular D2 states changes the radial wavefunction at small r.

Rat psychomotor vigilance task with fast response times using a conditioned lick behavior

PubMed Central

Walker, Jennifer L.; Walker, Brendan M.; Fuentes, Fernanda Monjaraz; Rector, David M.

2010-01-01

Investigations into the physiological mechanisms of sleep control require an animal psychomotor vigilance task (PVT) with fast response times (<300ms). Rats provide a good PVT model since whisker stimulation produces a rapid and robust cortical evoked response, and animals can be trained to lick following stimulation. Our prior experiments used deprivation-based approaches to maximize motivation for operant conditioned responses. However, deprivation can influence physiological and neurobehavioral effects. In order to maintain motivation without water deprivation, we conditioned rats for immobilization and head restraint, then trained them to lick for a 10% sucrose solution in response to whisker stimulation. After approximately 8 training sessions, animals produced greater than 80% correct hits to the stimulus. Over the course of training, reaction times became faster and correct hits increased. Performance in the PVT was examined after 3, 6 and 12 hours of sleep deprivation achieved by gentle handling. A significant decrease in percent correct hits occurred following 6 and 12 hours of sleep deprivation and reaction times increased significantly following 12 hours of sleep deprivation. While behaviorally the animals appeared to be awake, we observed significant increases in EEG delta power prior to misses. The rat PVT with fast response times allows investigation of sleep deprivation effects, time on task and pharmacological agents. Fast response times also allow closer parallel studies to ongoing human protocols. PMID:20696188

Mapping reactive flow patterns in monolithic nanoporous catalysts

DOE PAGES

Falcucci, Giacomo; Succi, Sauro; Montessori, Andrea; ...

2016-07-06

The development of high-efficiency porous catalyst membranes critically depends on our understanding of where the majority of the chemical conversions occur within the porous structure. This then requires mapping of chemical reactions and mass transport inside the complex nanoscale architecture of porous catalyst membranes which is a multiscale problem in both the temporal and spatial domains. In order to address this problem, we developed a multiscale mass transport computational framework based on the lattice Boltzmann method that allows us to account for catalytic reactions at the gas–solid interface by introducing a new boundary condition. In good agreement with experiments, themore » simulations reveal that most catalytic reactions occur near the gas-flow facing side of the catalyst membrane if chemical reactions are fast compared to mass transport within the porous catalyst membrane.« less

Laser interferometry and emission spectroscopy measurements of cold-sprayed copper thermite shocked to 35 GPa

NASA Astrophysics Data System (ADS)

Neel, Christopher; Lacina, David; Johnson, Stephanie

2017-01-01

Plate impact experiments were conducted on a cold-sprayed Al-CuO thermite at peak stresses between 5-35 GPa to determine the Hugoniot curve and characterize any shock induced energetic reaction. Photon Doppler Velocimetry (PDV) measurements were used to obtain particle velocity histories and shock speed information for both the shock loading and unloading behavior of the material. A jump in shock velocity was observed in the Hugoniot curve when the material was shocked beyond 20 GPa, suggesting a volume-increasing reaction occurs in this shocked Al-CuO thermite near 20 GPa. To better characterize any shock-induced thermite reactions, emission spectroscopy measurements were obtained at stresses above 20 GPa. The best time-resolved spectra obtained thus far, at 25 GPa, does not support the fast thermite reaction hypothesis.

High Pressure ZZ-Exchange NMR Reveals Key Features of Protein Folding Transition States.

PubMed

Zhang, Yi; Kitazawa, Soichiro; Peran, Ivan; Stenzoski, Natalie; McCallum, Scott A; Raleigh, Daniel P; Royer, Catherine A

2016-11-23

Understanding protein folding mechanisms and their sequence dependence requires the determination of residue-specific apparent kinetic rate constants for the folding and unfolding reactions. Conventional two-dimensional NMR, such as HSQC experiments, can provide residue-specific information for proteins. However, folding is generally too fast for such experiments. ZZ-exchange NMR spectroscopy allows determination of folding and unfolding rates on much faster time scales, yet even this regime is not fast enough for many protein folding reactions. The application of high hydrostatic pressure slows folding by orders of magnitude due to positive activation volumes for the folding reaction. We combined high pressure perturbation with ZZ-exchange spectroscopy on two autonomously folding protein domains derived from the ribosomal protein, L9. We obtained residue-specific apparent rates at 2500 bar for the N-terminal domain of L9 (NTL9), and rates at atmospheric pressure for a mutant of the C-terminal domain (CTL9) from pressure dependent ZZ-exchange measurements. Our results revealed that NTL9 folding is almost perfectly two-state, while small deviations from two-state behavior were observed for CTL9. Both domains exhibited large positive activation volumes for folding. The volumetric properties of these domains reveal that their transition states contain most of the internal solvent excluded voids that are found in the hydrophobic cores of the respective native states. These results demonstrate that by coupling it with high pressure, ZZ-exchange can be extended to investigate a large number of protein conformational transitions.

Mechanochemical mechanism for reaction of aluminium nano- and micrometre-scale particles.

PubMed

Levitas, Valery I

2013-11-28

A recently suggested melt-dispersion mechanism (MDM) for fast reaction of aluminium (Al) nano- and a few micrometre-scale particles during fast heating is reviewed. Volume expansion of 6% during Al melting produces pressure of several GPa in a core and tensile hoop stresses of 10 GPa in an oxide shell. Such stresses cause dynamic fracture and spallation of the shell. After spallation, an unloading wave propagates to the centre of the particle and creates a tensile pressure of 3-8 GPa. Such a tensile pressure exceeds the cavitation strength of liquid Al and disperses the melt into small, bare clusters (fragments) that fly at a high velocity. Reaction of the clusters is not limited by diffusion through a pre-existing oxide shell. Some theoretical and experimental results related to the MDM are presented. Various theoretical predictions based on the MDM are in good qualitative and quantitative agreement with experiments, which resolves some basic puzzles in combustion of Al particles. Methods to control and improve reactivity of Al particles are formulated, which are exactly opposite to the current trends based on diffusion mechanism. Some of these suggestions have experimental confirmation.

Diabetes: a cross-cultural interview study of immigrants from Somalia.

PubMed

Wallin, Anne-Marie; Löfvander, Monica; Ahlström, Gerd

2007-11-01

To describe how diabetic immigrants from Somalia experience everyday life in Sweden and how they manage diabetes-related problems, with inclusion of a gender perspective. To treat and care for minority populations successfully, healthcare staff in Sweden must thoroughly understand the illness experiences of different ethnic groups. However, no studies have so far been reported that focus on immigrants from Somalia with diabetes. Descriptive, qualitative interview study with 19 diabetic adults born in Somalia and now living in Sweden. Cross-cultural interviews with the aid of an interpreter. The transcribed interviews were subjected to qualitative latent content analysis, resulting in sub-themes and themes. Four themes emerged: experience of distress in everyday life; everyday life continues as before; comprehensibility gives a feeling of control; and being compliant. A major finding was the variation in how the participants managed the fasting month of Ramadan. Several participants fasted and did not see the diabetes as an obstacle, others did see it as an obstacle or indicated that fasting was not compulsory for a sick person. This study provides healthcare staff with information about how a minority group experience and manage diabetes. The results indicate the importance of considering cultural background, as well as religious traditions such as Ramadan, in diabetes care. They also indicate that men and women differ in their reaction to diabetes and that care should be adapted to this. It is important to develop evidence-based guidelines for diabetes care in ethnic groups that are fasting during Ramadan to prevent complications and promote relevant self-care. Further, the prescribed dietary advice must be culturally appropriate.

Droplet based microfluidics.

PubMed

Seemann, Ralf; Brinkmann, Martin; Pfohl, Thomas; Herminghaus, Stephan

2012-01-01

Droplet based microfluidics is a rapidly growing interdisciplinary field of research combining soft matter physics, biochemistry and microsystems engineering. Its applications range from fast analytical systems or the synthesis of advanced materials to protein crystallization and biological assays for living cells. Precise control of droplet volumes and reliable manipulation of individual droplets such as coalescence, mixing of their contents, and sorting in combination with fast analysis tools allow us to perform chemical reactions inside the droplets under defined conditions. In this paper, we will review available drop generation and manipulation techniques. The main focus of this review is not to be comprehensive and explain all techniques in great detail but to identify and shed light on similarities and underlying physical principles. Since geometry and wetting properties of the microfluidic channels are crucial factors for droplet generation, we also briefly describe typical device fabrication methods in droplet based microfluidics. Examples of applications and reaction schemes which rely on the discussed manipulation techniques are also presented, such as the fabrication of special materials and biophysical experiments.

Dissociation of biomolecules in liquid environments during fast heavy-ion irradiation

NASA Astrophysics Data System (ADS)

Nomura, Shinji; Tsuchida, Hidetsugu; Kajiwara, Akihiro; Yoshida, Shintaro; Majima, Takuya; Saito, Manabu

2017-12-01

The effect of aqueous environment on fast heavy-ion radiation damage of biomolecules was studied by comparative experiments using liquid- and gas-phase amino acid targets. Three types of amino acids with different chemical structures were used: glycine, proline, and hydroxyproline. Ion-induced reaction products were analyzed by time-of-flight secondary-ion mass spectrometry. The results showed that fragments from the amino acids resulting from the C—Cα bond cleavage were the major products for both types of targets. For liquid-phase targets, specific products originating from chemical reactions in solutions were observed. Interestingly, multiple dissociated atomic fragments were negligible for the liquid-phase targets. We found that the ratio of multifragment to total fragment ion yields was approximately half of that for gas-phase targets. This finding agreed with the results of other studies on biomolecular cluster targets. It is concluded that the suppression of molecular multifragmentation is caused by the energy dispersion to numerous water molecules surrounding the biomolecular solutes.

Origin of fast catalysis in allylic amination reactions catalyzed by Pd-Ti heterobimetallic complexes.

PubMed

Walker, Whitney K; Kay, Benjamin M; Michaelis, Scott A; Anderson, Diana L; Smith, Stacey J; Ess, Daniel H; Michaelis, David J

2015-06-17

Experiments and density functional calculations were used to quantify the impact of the Pd-Ti interaction in the cationic heterobimetallic Cl2Ti(N(t)BuPPh2)2Pd(η(3)-methallyl) catalyst 1 used for allylic aminations. The catalytic significance of the Pd-Ti interaction was evaluated computationally by examining the catalytic cycle for catalyst 1 with a conformation where the Pd-Ti interaction is intact versus one where the Pd-Ti interaction is severed. Studies were also performed on the relative reactivity of the cationic monometallic (CH2)2(N(t)BuPPh2)2Pd(η(3)-methallyl) catalyst 2 where the Ti from catalyst 1 was replaced by an ethylene group. These computational and experimental studies revealed that the Pd-Ti interaction lowers the activation barrier for turnover-limiting amine reductive addition and accelerates catalysis up to 10(5). The Pd-Ti distance in 1 is the result of the N(t)Bu groups enforcing a boat conformation that brings the two metals into close proximity, especially in the transition state. The turnover frequency of classic Pd π allyl complexes was compared to that of 1 to determine the impact of P-Pd-P coordination angle and ligand electronic properties on catalysis. These experiments identified that cationic (PPh3)2Pd(η(3)-CH2C(CH3)CH2) catalyst 3 performs similarly to 1 for allylic aminations with diethylamine. However, computations and experiment reveal that the apparent similarity in reactivity is due to very fast reaction kinetics. The higher reactivity of 1 versus 3 was confirmed in the reaction of methallyl chloride and 2,2,6,6-tetramethylpiperidine (TMP). Overall, experiments and calculations demonstrate that the Pd-Ti interaction induces and is responsible for significantly lower barriers and faster catalysis for allylic aminations.

KSC-02pd0736

NASA Image and Video Library

2002-05-16

KENNEDY SPACE CENTER, FLA. - Suspended from the overhead crane, the SHI Research Double Module (SHI/RDM) travels across the Space Station Processing Facility to the payload canister waiting at right. The module will be placed in the canister for transport to the Orbiter Processing Facility where it will be installed in Columbia's payload bay for mission STS-107. SHI/RDM is the primary payload of the research mission, with experiments ranging from material sciences to life sciences (many rats). Also part of the payload is the Fast Reaction Experiments Enabling Science, Technology, Applications and Research (FREESTAR) that incorporates eight high priority secondary attached shuttle experiments. STS-107 is scheduled to launch July 19, 2002

KSC-02pd0754

NASA Image and Video Library

2002-05-24

KENNEDY SPACE CENTER, FLA. -- In the Orbiter Processing Facility, STS-107 Payload Commander Michael Anderson (left) and 107 Payload Specialist Ilan Ramon, with the Israeli Space Agency, look at one of the main engines on Columbia. A research mission, STS-107 will carry as the primary payload the first flight of the SHI Research Double Module (SHI/RDM), also known as SPACEHAB. The experiments range from material sciences to life sciences. Another payload is FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) comprising Mediterranean Israeli Dust, Solar Constant, Shuttle Ozone Limb Sounding, Critical Viscosity of Xenon, Low Power, and Space Experimental Module experiments. STS-107 is scheduled to launch July 11, 2002

KSC-02pd0753

NASA Image and Video Library

2002-05-24

KENNEDY SPACE CENTER, FLA. - STS-107 Payload Specialist Ilan Ramon (left), with the Israeli Space Agency, and Payload Commander Michael Anderson pause during a payload check in the Orbiter Processing Facility. A research mission, STS-107 will carry as the primary payload the first flight of the SHI Research Double Module (SHI/RDM), also known as SPACEHAB. The experiments range from material sciences to life sciences. Another payload is FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) comprising Mediterranean Israeli Dust, Solar Constant, Shuttle Ozone Limb Sounding, Critical Viscosity of Xenon, Low Power, and Space Experimental Module experiments. STS-107 is scheduled to launch July 11, 2002

Epithermal neutron beams from the 7 Li(p,n) reaction near the threshold for neutron capture therapy

NASA Astrophysics Data System (ADS)

Porras, I.; Praena, J.; Arias de Saavedra, F.; Pedrosa, M.; Esquinas, P.; L. Jiménez-Bonilla, P.

2016-11-01

Two applications for neutron capture therapy of epithermal neutron beams calculated from the 7Li ( p , n reaction are discussed. In particular, i) for a proton beam of 1920 keV of a 30 mA, a neutron beam of adequate features for BNCT is found at an angle of 80° from the forward direction; and ii) for a proton beam of 1910 keV, a neutron beam is obtained at the forward direction suitable for performing radiobiology experiments for the determination of the biological weighting factors of the fast dose component in neutron capture therapy.

Rapid adaptation to microgravity in mammalian macrophage cells.

PubMed

Thiel, Cora S; de Zélicourt, Diane; Tauber, Svantje; Adrian, Astrid; Franz, Markus; Simmet, Dana M; Schoppmann, Kathrin; Hauschild, Swantje; Krammer, Sonja; Christen, Miriam; Bradacs, Gesine; Paulsen, Katrin; Wolf, Susanne A; Braun, Markus; Hatton, Jason; Kurtcuoglu, Vartan; Franke, Stefanie; Tanner, Samuel; Cristoforetti, Samantha; Sick, Beate; Hock, Bertold; Ullrich, Oliver

2017-02-27

Despite the observed severe effects of microgravity on mammalian cells, many astronauts have completed long term stays in space without suffering from severe health problems. This raises questions about the cellular capacity for adaptation to a new gravitational environment. The International Space Station (ISS) experiment TRIPLE LUX A, performed in the BIOLAB laboratory of the ISS COLUMBUS module, allowed for the first time the direct measurement of a cellular function in real time and on orbit. We measured the oxidative burst reaction in mammalian macrophages (NR8383 rat alveolar macrophages) exposed to a centrifuge regime of internal 0 g and 1 g controls and step-wise increase or decrease of the gravitational force in four independent experiments. Surprisingly, we found that these macrophages adapted to microgravity in an ultra-fast manner within seconds, after an immediate inhibitory effect on the oxidative burst reaction. For the first time, we provided direct evidence of cellular sensitivity to gravity, through real-time on orbit measurements and by using an experimental system, in which all factors except gravity were constant. The surprisingly ultra-fast adaptation to microgravity indicates that mammalian macrophages are equipped with a highly efficient adaptation potential to a low gravity environment. This opens new avenues for the exploration of adaptation of mammalian cells to gravitational changes.

Implosion and heating experiments of fast ignition targets by Gekko-XII and LFEX lasers

NASA Astrophysics Data System (ADS)

Shiraga, H.; Fujioka, S.; Nakai, M.; Watari, T.; Nakamura, H.; Arikawa, Y.; Hosoda, H.; Nagai, T.; Koga, M.; Kikuchi, H.; Ishii, Y.; Sogo, T.; Shigemori, K.; Nishimura, H.; Zhang, Z.; Tanabe, M.; Ohira, S.; Fujii, Y.; Namimoto, T.; Sakawa, Y.; Maegawa, O.; Ozaki, T.; Tanaka, K. A.; Habara, H.; Iwawaki, T.; Shimada, K.; Key, M.; Norreys, P.; Pasley, J.; Nagatomo, H.; Johzaki, T.; Sunahara, A.; Murakami, M.; Sakagami, H.; Taguchi, T.; Norimatsu, T.; Homma, H.; Fujimoto, Y.; Iwamoto, A.; Miyanaga, N.; Kawanaka, J.; Kanabe, T.; Jitsuno, T.; Nakata, Y.; Tsubakimoto, K.; Sueda, K.; Kodama, R.; Kondo, K.; Morio, N.; Matsuo, S.; Kawasaki, T.; Sawai, K.; Tsuji, K.; Murakami, H.; Sarukura, N.; Shimizu, T.; Mima, K.; Azechi, H.

2013-11-01

The FIREX-1 project, the goal of which is to demonstrate fuel heating up to 5 keV by fast ignition scheme, has been carried out since 2003 including construction and tuning of LFEX laser and integrated experiments. Implosion and heating experiment of Fast Ignition targets have been performed since 2009 with Gekko-XII and LFEX lasers. A deuterated polystyrene shell target was imploded with the 0.53- μm Gekko-XII, and the 1.053- μm beam of the LFEX laser was injected through a gold cone attached to the shell to generate hot electrons to heat the imploded fuel plasma. Pulse contrast ratio of the LFEX beam was significantly improved. Also a variety of plasma diagnostic instruments were developed to be compatible with harsh environment of intense hard x-rays (γ rays) and electromagnetic pulses due to the intense LFEX beam on the target. Large background signals around the DD neutron signal in time-of-flight record of neutron detector were found to consist of neutrons via (γ,n) reactions and scattered gamma rays. Enhanced neutron yield was confirmed by carefully eliminating such backgrounds. Neutron enhancement up to 3.5 × 107 was observed. Heating efficiency was estimated to be 10-20% assuming a uniform temperature rise model.

Non-Maxwellian fast particle effects in gyrokinetic GENE simulations

NASA Astrophysics Data System (ADS)

Di Siena, A.; Görler, T.; Doerk, H.; Bilato, R.; Citrin, J.; Johnson, T.; Schneider, M.; Poli, E.; JET Contributors

2018-04-01

Fast ions have recently been found to significantly impact and partially suppress plasma turbulence both in experimental and numerical studies in a number of scenarios. Understanding the underlying physics and identifying the range of their beneficial effect is an essential task for future fusion reactors, where highly energetic ions are generated through fusion reactions and external heating schemes. However, in many of the gyrokinetic codes fast ions are, for simplicity, treated as equivalent-Maxwellian-distributed particle species, although it is well known that to rigorously model highly non-thermalised particles, a non-Maxwellian background distribution function is needed. To study the impact of this assumption, the gyrokinetic code GENE has recently been extended to support arbitrary background distribution functions which might be either analytical, e.g., slowing down and bi-Maxwellian, or obtained from numerical fast ion models. A particular JET plasma with strong fast-ion related turbulence suppression is revised with these new code capabilities both with linear and nonlinear gyrokinetic simulations. It appears that the fast ion stabilization tends to be less strong but still substantial with more realistic distributions, and this improves the quantitative power balance agreement with experiments.

Comprehensive approach to fast ion measurements in the beam-driven FRC

NASA Astrophysics Data System (ADS)

Magee, Richard; Smirnov, Artem; Onofri, Marco; Dettrick, Sean; Korepanov, Sergey; Knapp, Kurt; the TAE Team

2015-11-01

The C-2U experiment combines tangential neutral beam injection, edge biasing, and advanced recycling control to explore the sustainment of field-reversed configuration (FRC) plasmas. To study fast ion confinement in such advanced, beam-driven FRCs, a synergetic technique was developed that relies on the measurements of the DD fusion reaction products and the hybrid code Q2D, which treats the plasma as a fluid and the fast ions kinetically. Data from calibrated neutron and proton detectors are used in a complementary fashion to constrain the simulations: neutron detectors measure the volume integrated fusion rate to constrain the total number of fast ions, while proton detectors with multiple lines of sight through the plasma constrain the axial profile of fast ions. One application of this technique is the diagnosis of fast ion energy transfer and pitch angle scattering. A parametric numerical study was conducted, in which additional ad hoc loss and scattering terms of varying strengths were introduced in the code and constrained with measurement. Initial results indicate that the energy transfer is predominantly classical, while, in some cases, non-classical pitch angle scattering can be observed.

KSC01pd1885

NASA Image and Video Library

2001-12-19

KENNEDY SPACE CENTER, FLA. -- At SPACEHAB, Cape Canaveral, Fla., Commander Rick Husband works with an experiment that will be part of the mission. STS-107 is a research mission. The primary payload is the first flight of the SHI Research Double Module (SHI/RDM). The experiments range from material sciences to life sciences (many rats). Also part of the payload is the Fast Reaction Experiments Enabling Science, Technology, Applications and Research (FREESTAR) that incorporates eight high priority secondary attached shuttle experiments: Mediterranean Israeli Dust Experiment (MEIDEX), Shuttle Ozone Limb Sounding Experiment (SOLSE-2), Student Tracked Atmospheric Research Satellite for Heuristic International Networking Experiment (STARSHINE), Critical Viscosity of Xenon-2 (CVX-2), Solar Constant Experiment-3 (SOLOCON-3), Prototype Synchrotron Radiation Detector (PSRD), Low Power Transceiver (LPT), and Collisions Into Dust Experiment -2 (COLLIDE-2). STS-107 is scheduled to launch in July 2002

STS-107 Payload Specialist Ilan Ramon at SPACEHAB during training

NASA Technical Reports Server (NTRS)

2002-01-01

KENNEDY SPACE CENTER, FLA. - STS-107 Payload Specialist Ilan Ramon, from Israel, trains on equipment at SPACEHAB, Cape Canaveral, Fla. STS-107 is a research mission. The primary payload is the first flight of the SHI Research Double Module (SHI/RDM). The experiments range from material sciences to life sciences (many rats). Also part of the payload is the Fast Reaction Experiments Enabling Science, Technology, Applications and Research (FREESTAR) that incorporates eight high priority secondary attached shuttle experiments: Mediterranean Israeli Dust Experiment (MEIDEX), Shuttle Ozone Limb Sounding Experiment (SOLSE-2), Student Tracked Atmospheric Research Satellite for Heuristic International Networking Experiment (STARSHINE), Critical Viscosity of Xenon-2 (CVX-2), Solar Constant Experiment-3 (SOLOCON-3), Prototype Synchrotron Radiation Detector (PSRD), Low Power Transceiver (LPT), and Collisions Into Dust Experiment -2 (COLLIDE-2). STS-107 is scheduled to launch in July 2002

STS-107 Mission Specialist Kalpana Chawla at SPACEHAB during training

NASA Technical Reports Server (NTRS)

2002-01-01

KENNEDY SPACE CENTER, FLA. - STS-107 Mission Specialist Kalpana Chawla looks over equipment at SPACEHAB, Cape Canaveral, Fla., during crew training. STS-107 is a research mission. The primary payload is the first flight of the SHI Research Double Module (SHI/RDM). The experiments range from material sciences to life sciences (many rats). Also part of the payload is the Fast Reaction Experiments Enabling Science, Technology, Applications and Research (FREESTAR) that incorporates eight high priority secondary attached shuttle experiments: Mediterranean Israeli Dust Experiment (MEIDEX), Shuttle Ozone Limb Sounding Experiment (SOLSE-2), Student Tracked Atmospheric Research Satellite for Heuristic International Networking Experiment (STARSHINE), Critical Viscosity of Xenon-2 (CVX-2), Solar Constant Experiment-3 (SOLOCON-3), Prototype Synchrotron Radiation Detector (PSRD), Low Power Transceiver (LPT), and Collisions Into Dust Experiment -2 (COLLIDE-2). STS-107 is scheduled to launch in July 2002

KSC01pd1881

NASA Image and Video Library

2001-12-19

KENNEDY SPACE CENTER, FLA. -- STS-107 Commander Rick Husband and Mission Specialist Laurel Clark learn to work with mission-related equipment at SPACEHAB, Cape Canaveral, Fla. STS-107 is a research mission. The primary payload is the first flight of the SHI Research Double Module (SHI/RDM). The experiments range from material sciences to life sciences (many rats). Also part of the payload is the Fast Reaction Experiments Enabling Science, Technology, Applications and Research (FREESTAR) that incorporates eight high priority secondary attached shuttle experiments: Mediterranean Israeli Dust Experiment (MEIDEX), Shuttle Ozone Limb Sounding Experiment (SOLSE-2), Student Tracked Atmospheric Research Satellite for Heuristic International Networking Experiment (STARSHINE), Critical Viscosity of Xenon-2 (CVX-2), Solar Constant Experiment-3 (SOLOCON-3), Prototype Synchrotron Radiation Detector (PSRD), Low Power Transceiver (LPT), and Collisions Into Dust Experiment -2 (COLLIDE-2). STS-107 is scheduled to launch in July 2002

KSC-02pd0052

NASA Image and Video Library

2002-01-10

KENNEDY SPACE CENTER, FLA. - STS-107 Payload Specialist Ilan Ramon, from Israel, trains on equipment at SPACEHAB, Cape Canaveral, Fla. STS-107 is a research mission. The primary payload is the first flight of the SHI Research Double Module (SHI/RDM). The experiments range from material sciences to life sciences (many rats). Also part of the payload is the Fast Reaction Experiments Enabling Science, Technology, Applications and Research (FREESTAR) that incorporates eight high priority secondary attached shuttle experiments: Mediterranean Israeli Dust Experiment (MEIDEX), Shuttle Ozone Limb Sounding Experiment (SOLSE-2), Student Tracked Atmospheric Research Satellite for Heuristic International Networking Experiment (STARSHINE), Critical Viscosity of Xenon-2 (CVX-2), Solar Constant Experiment-3 (SOLOCON-3), Prototype Synchrotron Radiation Detector (PSRD), Low Power Transceiver (LPT), and Collisions Into Dust Experiment -2 (COLLIDE-2). STS-107 is scheduled to launch in July 2002

KSC-02pd0053

NASA Image and Video Library

2002-01-10

KENNEDY SPACE CENTER, FLA. -- STS-107 Mission Specialist Kalpana Chawla scans paperwork for equipment at SPACEHAB, Cape Canaveral, Fla., during crew training. STS-107 is a research mission. The primary payload is the first flight of the SHI Research Double Module (SHI/RDM). The experiments range from material sciences to life sciences (many rats). Also part of the payload is the Fast Reaction Experiments Enabling Science, Technology, Applications and Research (FREESTAR) that incorporates eight high priority secondary attached shuttle experiments: Mediterranean Israeli Dust Experiment (MEIDEX), Shuttle Ozone Limb Sounding Experiment (SOLSE-2), Student Tracked Atmospheric Research Satellite for Heuristic International Networking Experiment (STARSHINE), Critical Viscosity of Xenon-2 (CVX-2), Solar Constant Experiment-3 (SOLOCON-3), Prototype Synchrotron Radiation Detector (PSRD), Low Power Transceiver (LPT), and Collisions Into Dust Experiment -2 (COLLIDE-2). STS-107 is scheduled to launch in July 2002

Indistinguishability and identifiability of kinetic models for the MurC reaction in peptidoglycan biosynthesis.

PubMed

Hattersley, J G; Pérez-Velázquez, J; Chappell, M J; Bearup, D; Roper, D; Dowson, C; Bugg, T; Evans, N D

2011-11-01

An important question in Systems Biology is the design of experiments that enable discrimination between two (or more) competing chemical pathway models or biological mechanisms. In this paper analysis is performed between two different models describing the kinetic mechanism of a three-substrate three-product reaction, namely the MurC reaction in the cytoplasmic phase of peptidoglycan biosynthesis. One model involves ordered substrate binding and ordered release of the three products; the competing model also assumes ordered substrate binding, but with fast release of the three products. The two versions are shown to be distinguishable; however, if standard quasi-steady-state assumptions are made distinguishability cannot be determined. Once model structure uniqueness is ensured the experimenter must determine if it is possible to successfully recover rate constant values given the experiment observations, a process known as structural identifiability. Structural identifiability analysis is carried out for both models to determine which of the unknown reaction parameters can be determined uniquely, or otherwise, from the ideal system outputs. This structural analysis forms an integrated step towards the modelling of the full pathway of the cytoplasmic phase of peptidoglycan biosynthesis. Copyright © 2010 Elsevier Ireland Ltd. All rights reserved.

Microfluidic study of fast gas-liquid reactions.

PubMed

Li, Wei; Liu, Kun; Simms, Ryan; Greener, Jesse; Jagadeesan, Dinesh; Pinto, Sascha; Günther, Axel; Kumacheva, Eugenia

2012-02-15

We present a new concept for studies of the kinetics of fast gas-liquid reactions. The strategy relies on the microfluidic generation of highly monodisperse gas bubbles in the liquid reaction medium and subsequent analysis of time-dependent changes in bubble dimensions. Using reactions of CO(2) with secondary amines as an exemplary system, we demonstrate that the method enables rapid determination of reaction rate constant and conversion, and comparison of various binding agents. The proposed approach addresses two challenges in studies of gas-liquid reactions: a mass-transfer limitation and a poorly defined gas-liquid interface. The proposed strategy offers new possibilities in studies of the fundamental aspects of rapid multiphase reactions, and can be combined with throughput optimization of reaction conditions.

Association reactions at low pressure. 5: The CH3(+)/HCN system. A final word?

NASA Technical Reports Server (NTRS)

Anicich, Vincent G.; Sen, Atish D.; Huntress, Wesley, Jr.; McEwan, Murray J.

1995-01-01

The reaction of the methyl cation with hydrogen cyanide is revisited. We have confidence that we have resolved a long standing apparent contradiction of experimental results. A literature history is presented along with one new experiment and a re-examination of an old experiment. In this present work it is shown that all of the previous studies had made consistent observations. Yet, each of the previous studies failed to observe all of the information present. The methyl cation does react with HCN by radiative association, a fact which had been in doubt. The product ions formed in the two-body and three-body processes react differently with HCN. The collisionally stabilized association product formed by a three-body mechanism, does not react with HCN and is readily detected in the experiments. The radiatively stabilized association product, formed by a slow two-body reaction, is not detected because it reacts with HCN by a fast proton transfer reaction forming the protonated HCN ion. Previous studies either 'lost' this product in the extremely large protonated HCN signal that is always present when HCN is used, or discounted it for various reasons. We have been able to show by ion cyclotron resonance (ICR) techniques (both FT-ICR and tandem ICR-dempster-ICR) that the radiative association product does react with the HCN to form the protonated HCN ion.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Uchibori, Akihiro; Kurihara, Akikazu; Ohshima, Hiroyuki

A multiphysics analysis system for sodium-water reaction phenomena in a steam generator of sodium-cooled fast reactors was newly developed. The analysis system consists of the mechanistic numerical analysis codes, SERAPHIM, TACT, and RELAP5. The SERAPHIM code calculates the multicomponent multiphase flow and sodium-water chemical reaction caused by discharging of pressurized water vapor. Applicability of the SERAPHIM code was confirmed through the analyses of the experiment on water vapor discharging in liquid sodium. The TACT code was developed to calculate heat transfer from the reacting jet to the adjacent tube and to predict the tube failure occurrence. The numerical models integratedmore » into the TACT code were verified through some related experiments. The RELAP5 code evaluates thermal hydraulic behavior of water inside the tube. The original heat transfer correlations were corrected for the tube rapidly heated by the reacting jet. The developed system enables evaluation of the wastage environment and the possibility of the failure propagation.« less

Probing fast ribozyme reactions under biological conditions with rapid quench-flow kinetics.

PubMed

Bingaman, Jamie L; Messina, Kyle J; Bevilacqua, Philip C

2017-05-01

Reaction kinetics on the millisecond timescale pervade the protein and RNA fields. To study such reactions, investigators often perturb the system with abiological solution conditions or substrates in order to slow the rate to timescales accessible by hand mixing; however, such perturbations can change the rate-limiting step and obscure key folding and chemical steps that are found under biological conditions. Mechanical methods for collecting data on the millisecond timescale, which allow these perturbations to be avoided, have been developed over the last few decades. These methods are relatively simple and can be conducted on affordable and commercially available instruments. Here, we focus on using the rapid quench-flow technique to study the fast reaction kinetics of RNA enzymes, or ribozymes, which often react on the millisecond timescale under biological conditions. Rapid quench of ribozymes is completely parallel to the familiar hand-mixing approach, including the use of radiolabeled RNAs and fractionation of reactions on polyacrylamide gels. We provide tips on addressing and preventing common problems that can arise with the rapid-quench technique. Guidance is also offered on ensuring the ribozyme is properly folded and fast-reacting. We hope that this article will facilitate the broader use of rapid-quench instrumentation to study fast-reacting ribozymes under biological reaction conditions. Copyright © 2017 Elsevier Inc. All rights reserved.

Probing fast ribozyme reactions under biological conditions with rapid quench-flow kinetics

PubMed Central

Bingaman, Jamie L.; Messina, Kyle J.; Bevilacqua, Philip C.

2017-01-01

Reaction kinetics on the millisecond timescale pervade the protein and RNA fields. To study such reactions, investigators often perturb the system with abiological solution conditions or substrates in order to slow the rate to timescales accessible by hand-mixing; however, such perturbations can change the rate-limiting step and obscure key folding and chemical steps that are found under biological conditions. Mechanical methods for collecting data on the millisecond timescale, which allow these perturbations to be avoided, have been developed over the last few decades. These methods are relatively simple and can be conducted on affordable and commercially available instruments. Here, we focus on using the rapid quench-flow technique to study the fast reaction kinetics of RNA enzymes, or ribozymes, which often react on the millisecond timescale under biological conditions. Rapid quench of ribozymes is completely parallel to the familiar hand-mixing approach, including the use of radiolabeled RNAs and fractionation of reactions on polyacrylamide gels. We provide tips on addressing and preventing common problems that can arise with the rapid-quench technique. Guidance is also offered on ensuring the ribozyme is properly folded and fast-reacting. We hope that this article will facilitate the broader use of rapid-quench instrumentation to study fast-reacting ribozymes under biological reaction conditions. PMID:28315484

Microstructural effects on ignition sensitivity in Ni/Al systems subjected to high strain rate impacts

NASA Astrophysics Data System (ADS)

Reeves, Robert; Mukasyan, Alexander; Son, Steven

2011-06-01

The effect of microstructural refinement on the sensitivity of the Ni/Al (1:1 at%) system to ignition via high strain rate impacts is investigated. The tested microstructures include compacts of irregularly convoluted lamellar structures with nanometric features created through high-energy ball milling (HEBM) of micron size Ni/Al powders and compacts of nanometric Ni and Al powders. The test materials were subjected to high strain rate impacts through Asay shear experiments powered by a light gas gun. Muzzle velocities up to 1.1 km/s were used. It was found that the nanometric powder exhibited a greater sensitivity to ignition via impact than the HEBM material, despite greater thermal sensitivity of the HEBM. A previously unseen fast reaction mode where the reaction front traveled at the speed of the input stress wave was also observed in the nanometric mixtures at high muzzle energies. This fast mode is considered to be a mechanically induced thermal explosion mode dependent on the magnitude of the traveling stress wave, rather than a self-propagating detonation, since its propagation rate decreases rapidly across the sample. A similar mode is not exhibited by HEBM samples, although local, nonpropagating reaction zones occur in shear bands formed during the impact event.

Microstructural effects on ignition sensitivity in Ni/Al systems subjected to high strain rate impacts

NASA Astrophysics Data System (ADS)

Reeves, Robert V.; Mukasyan, Alexander S.; Son, Steven

2012-03-01

The effect of microstructural refinement on the sensitivity of the Ni/Al (1:1 mol%) system to ignition via high strain rate impacts is investigated. The tested microstructures include compacts of irregularly convoluted lamellar structures with nanometric features created through high-energy ball milling (HEBM) of micron size Ni/Al powders and compacts of nanometric Ni and Al powders. The test materials were subjected to high strain rate impacts through Asay shear experiments powered by a light gas gun. Muzzle velocities up to 1.1 km/s were used. It was found that the nanometric powder exhibited a greater sensitivity to ignition via impact than the HEBM material, despite greater thermal sensitivity of the HEBM. A previously unseen fast reaction mode where the reaction front traveled at the speed of the input stress wave was also observed in the nanometric mixtures at high muzzle energies. This fast mode is considered to be a mechanically induced thermal explosion mode dependent on the magnitude of the traveling stress wave, rather than a self-propagating detonation, since its propagation rate decreases rapidly across the sample. A similar mode is not exhibited by HEBM samples, although local, nonpropagating reaction zones shear bands formed during the impact event are observed.

Strategic interactions, affective reactions, and fast adaptations.

PubMed

Kareev, Yaakov; Avrahami, Judith; Fiedler, Klaus

2014-06-01

We studied repeated choices under uncertainty in situations in which the source of uncertainty is the choice of an interaction partner. In 1 experiment the participants engaged in repeated decisions in a mixed motive game; in another experiment the options and outcomes were identical to those in the 1st, but periods of the mixed-motive game alternated with periods of a coordination game, with the change in period not announced. We analyzed choice dynamics-the relationship between an outcome and the choice that followed-and aggregate choice probabilities to gauge the relative merit of reward-based or affect-based accounts (the affects considered being disappointment and regret). In both experiments choice dynamics were essentially identical and were compatible with only the regret-based account. This was true irrespective of the game played or the stage (early or late) of the game. Moreover, the same dynamics explained the very different aggregate probabilities with which the 2 options were chosen in the 2 games and the remarkably fast adaptations to unannounced changes in the game played. PsycINFO Database Record (c) 2014 APA, all rights reserved.

Mechanism of formation of subnanosecond current front in high-voltage pulse open discharge

NASA Astrophysics Data System (ADS)

Schweigert, I. V.; Alexandrov, A. L.; Zakrevsky, Dm. E.; Bokhan, P. A.

2014-11-01

The mechanism of subnanosecond current front rise observed previously in the experiment in high-voltage pulse open discharge in helium is studied in kinetic particle-in-cell simulations. The Boltzmann equations for electrons, ions, and fast atoms are solved self-consistently with the Poisson equations for the electrical potential. The partial contributions to the secondary electron emission from the ions, fast atoms, photons, and electrons, bombarding the electrode, are calculated. In simulations, as in the experiment, the discharge glows between two symmetrical cathodes and the anode grid in the midplane at P =6 Torr and the applied voltage of 20 kV. The electron avalanche development is considered for two experimental situations during the last stage of breakdown: (i) with constant voltage and (ii) with decreasing voltage. For case (i), the subnanosecond current front rise is set by photons from the collisional excitation transfer reactions. For the case (ii), the energetic electrons swamp the cathode during voltage drop and provide the secondary electron emission for the subnanosecond current rise, observed in the experiment.

Direct single-molecule dynamic detection of chemical reactions.

PubMed

Guan, Jianxin; Jia, Chuancheng; Li, Yanwei; Liu, Zitong; Wang, Jinying; Yang, Zhongyue; Gu, Chunhui; Su, Dingkai; Houk, Kendall N; Zhang, Deqing; Guo, Xuefeng

2018-02-01

Single-molecule detection can reveal time trajectories and reaction pathways of individual intermediates/transition states in chemical reactions and biological processes, which is of fundamental importance to elucidate their intrinsic mechanisms. We present a reliable, label-free single-molecule approach that allows us to directly explore the dynamic process of basic chemical reactions at the single-event level by using stable graphene-molecule single-molecule junctions. These junctions are constructed by covalently connecting a single molecule with a 9-fluorenone center to nanogapped graphene electrodes. For the first time, real-time single-molecule electrical measurements unambiguously show reproducible large-amplitude two-level fluctuations that are highly dependent on solvent environments in a nucleophilic addition reaction of hydroxylamine to a carbonyl group. Both theoretical simulations and ensemble experiments prove that this observation originates from the reversible transition between the reactant and a new intermediate state within a time scale of a few microseconds. These investigations open up a new route that is able to be immediately applied to probe fast single-molecule physics or biophysics with high time resolution, making an important contribution to broad fields beyond reaction chemistry.

Direct single-molecule dynamic detection of chemical reactions

PubMed Central

Guan, Jianxin; Jia, Chuancheng; Li, Yanwei; Liu, Zitong; Wang, Jinying; Yang, Zhongyue; Gu, Chunhui; Su, Dingkai; Houk, Kendall N.; Zhang, Deqing; Guo, Xuefeng

2018-01-01

Single-molecule detection can reveal time trajectories and reaction pathways of individual intermediates/transition states in chemical reactions and biological processes, which is of fundamental importance to elucidate their intrinsic mechanisms. We present a reliable, label-free single-molecule approach that allows us to directly explore the dynamic process of basic chemical reactions at the single-event level by using stable graphene-molecule single-molecule junctions. These junctions are constructed by covalently connecting a single molecule with a 9-fluorenone center to nanogapped graphene electrodes. For the first time, real-time single-molecule electrical measurements unambiguously show reproducible large-amplitude two-level fluctuations that are highly dependent on solvent environments in a nucleophilic addition reaction of hydroxylamine to a carbonyl group. Both theoretical simulations and ensemble experiments prove that this observation originates from the reversible transition between the reactant and a new intermediate state within a time scale of a few microseconds. These investigations open up a new route that is able to be immediately applied to probe fast single-molecule physics or biophysics with high time resolution, making an important contribution to broad fields beyond reaction chemistry. PMID:29487914

KSC01pd1882

NASA Image and Video Library

2001-12-19

KENNEDY SPACE CENTER, FLA. - STS-107 Payload Specialist Ilan Ramon, from Israel, pauses during an experiment at SPACEHAB, Cape Canaveral, Fla., to talk with Mission Specialist Laurel Clark. STS-107 is a research mission. The primary payload is the first flight of the SHI Research Double Module (SHI/RDM). The experiments range from material sciences to life sciences (many rats). Also part of the payload is the Fast Reaction Experiments Enabling Science, Technology, Applications and Research (FREESTAR) that incorporates eight high priority secondary attached shuttle experiments: Mediterranean Israeli Dust Experiment (MEIDEX), Shuttle Ozone Limb Sounding Experiment (SOLSE-2), Student Tracked Atmospheric Research Satellite for Heuristic International Networking Experiment (STARSHINE), Critical Viscosity of Xenon-2 (CVX-2), Solar Constant Experiment-3 (SOLOCON-3), Prototype Synchrotron Radiation Detector (PSRD), Low Power Transceiver (LPT), and Collisions Into Dust Experiment -2 (COLLIDE-2). STS-107 is scheduled to launch in July 2002.

KSC01pd1884

NASA Image and Video Library

2001-12-19

KENNEDY SPACE CENTER, FLA. - At SPACEHAB, Cape Canaveral, Fla., members of the STS-107 crew familiarize themselves with experiments and equipment for the mission. Pointing at a piece of equipment (center) is Mission Specialist Laurel Clark . At right is Mission Specialist Kalpana Chawla. STS-107 is a research mission. The primary payload is the first flight of the SHI Research Double Module (SHI/RDM). The experiments range from material sciences to life sciences (many rats). Also part of the payload is the Fast Reaction Experiments Enabling Science, Technology, Applications and Research (FREESTAR) that incorporates eight high priority secondary attached shuttle experiments: Mediterranean Israeli Dust Experiment (MEIDEX), Shuttle Ozone Limb Sounding Experiment (SOLSE-2), Student Tracked Atmospheric Research Satellite for Heuristic International Networking Experiment (STARSHINE), Critical Viscosity of Xenon-2 (CVX-2), Solar Constant Experiment-3 (SOLOCON-3), Prototype Synchrotron Radiation Detector (PSRD), Low Power Transceiver (LPT), and Collisions Into Dust Experiment -2 (COLLIDE-2). STS-107 is scheduled to launch in July 2002

KSC01pd1883

NASA Image and Video Library

2001-12-19

KENNEDY SPACE CENTER, FLA. - - STS-107 Payload Specialist Ilan Ramon, from Israel, works on an experiment at SPACEHAB, Cape Canaveral, Fla. With him is Mission Specialist Laurel Clark. STS-107 is a research mission. The primary payload is the first flight of the SHI Research Double Module (SHI/RDM). The experiments range from material sciences to life sciences (many rats). Also part of the payload is the Fast Reaction Experiments Enabling Science, Technology, Applications and Research (FREESTAR) that incorporates eight high priority secondary attached shuttle experiments: Mediterranean Israeli Dust Experiment (MEIDEX), Shuttle Ozone Limb Sounding Experiment (SOLSE-2), Student Tracked Atmospheric Research Satellite for Heuristic International Networking Experiment (STARSHINE), Critical Viscosity of Xenon-2 (CVX-2), Solar Constant Experiment-3 (SOLOCON-3), Prototype Synchrotron Radiation Detector (PSRD), Low Power Transceiver (LPT), and Collisions Into Dust Experiment -2 (COLLIDE-2). STS-107 is scheduled to launch in July 2002

Low-lying electromagnetic transition strengths in 180Pt

NASA Astrophysics Data System (ADS)

Müller-Gatermann, C.; Dewald, A.; Fransen, C.; Braunroth, T.; Jolie, J.; Litzinger, J.; Régis, J. M.; von Spee, F.; Warr, N.; Zell, K. O.; Grahn, T.; Greenlees, P. T.; Hauschild, K.; Jakobsson, U.; Julin, R.; Juutinen, S.; Ketelhut, S.; Nieminen, P.; Nyman, M.; Peura, P.; Rahkila, P.; Ruotsalainen, P.; Sandzelius, M.; Sarén, J.; Scholey, C.; Sorri, J.; Stolze, S.; Uusitalo, J.; Petkov, P.

2018-02-01

Lifetime measurements have been performed using the 98Mo(86Kr,4 n )180Pt reaction at a beam energy of 380 MeV, and the recoil distance Doppler-shift method. In a second experiment the 168Yb(16O,4 n )180Pt reaction at a beam energy of 88 MeV using the Ge-gated γ -γ fast timing technique was used to determine lifetimes. Lifetimes of the four lowest yrast states of 180Pt have been determined. The experimental data are compared to calculations within the framework of the interacting boson model and the general collective model. Both models predict a deformed ground state and are consistent with all the remaining experimental results.

Nuclear Data Needs for Generation IV Nuclear Energy Systems

NASA Astrophysics Data System (ADS)

Rullhusen, Peter

2006-04-01

Nuclear data needs for generation IV systems. Future of nuclear energy and the role of nuclear data / P. Finck. Nuclear data needs for generation IV nuclear energy systems-summary of U.S. workshop / T. A. Taiwo, H. S. Khalil. Nuclear data needs for the assessment of gen. IV systems / G. Rimpault. Nuclear data needs for generation IV-lessons from benchmarks / S. C. van der Marck, A. Hogenbirk, M. C. Duijvestijn. Core design issues of the supercritical water fast reactor / M. Mori ... [et al.]. GFR core neutronics studies at CEA / J. C. Bosq ... [et al]. Comparative study on different phonon frequency spectra of graphite in GCR / Young-Sik Cho ... [et al.]. Innovative fuel types for minor actinides transmutation / D. Haas, A. Fernandez, J. Somers. The importance of nuclear data in modeling and designing generation IV fast reactors / K. D. Weaver. The GIF and Mexico-"everything is possible" / C. Arrenondo Sánchez -- Benmarks, sensitivity calculations, uncertainties. Sensitivity of advanced reactor and fuel cycle performance parameters to nuclear data uncertainties / G. Aliberti ... [et al.]. Sensitivity and uncertainty study for thermal molten salt reactors / A. Biduad ... [et al.]. Integral reactor physics benchmarks- The International Criticality Safety Benchmark Evaluation Project (ICSBEP) and the International Reactor Physics Experiment Evaluation Project (IRPHEP) / J. B. Briggs, D. W. Nigg, E. Sartori. Computer model of an error propagation through micro-campaign of fast neutron gas cooled nuclear reactor / E. Ivanov. Combining differential and integral experiments on [symbol] for reducing uncertainties in nuclear data applications / T. Kawano ... [et al.]. Sensitivity of activation cross sections of the Hafnium, Tanatalum and Tungsten stable isotopes to nuclear reaction mechanisms / V. Avrigeanu ... [et al.]. Generating covariance data with nuclear models / A. J. Koning. Sensitivity of Candu-SCWR reactors physics calculations to nuclear data files / K. S. Kozier, G. R. Dyck. The lead cooled fast reactor benchmark BREST-300: analysis with sensitivity method / V. Smirnov ... [et al.]. Sensitivity analysis of neutron cross-sections considered for design and safety studies of LFR and SFR generation IV systems / K. Tucek, J. Carlsson, H. Wider -- Experiments. INL capabilities for nuclear data measurements using the Argonne intense pulsed neutron source facility / J. D. Cole ... [et al.]. Cross-section measurements in the fast neutron energy range / A. Plompen. Recent measurements of neutron capture cross sections for minor actinides by a JNC and Kyoto University Group / H. Harada ... [et al.]. Determination of minor actinides fission cross sections by means of transfer reactions / M. Aiche ... [et al.] -- Evaluated data libraries. Nuclear data services from the NEA / H. Henriksson, Y. Rugama. Nuclear databases for energy applications: an IAEA perspective / R. Capote Noy, A. L. Nichols, A. Trkov. Nuclear data evaluation for generation IV / G. Noguère ... [et al.]. Improved evaluations of neutron-induced reactions on americium isotopes / P. Talou ... [et al.]. Using improved ENDF-based nuclear data for candu reactor calculations / J. Prodea. A comparative study on the graphite-moderated reactors using different evaluated nuclear data / Do Heon Kim ... [et al.].

In situ and time resolved nucleation and growth of silica nanoparticles forming under simulated geothermal conditions

NASA Astrophysics Data System (ADS)

Tobler, Dominique J.; Benning, Liane G.

2013-08-01

Detailed knowledge of the reaction kinetics of silica nanoparticle formation in cooling supersaturated waters is fundamental to the understanding of many natural processes including biosilicifcation, sinter formation, and silica diagenesis. Here, we quantified the formation of silica nanoparticles from solution as it would occur in geothermal waters. We used an in situ and real-time approach with silica polymerisation being induced by fast cooling of a 230 °C hot and supersaturated silica solution. Experiments were carried out using a novel flow-through geothermal simulator system that was designed to work on-line with either a synchrotron-based small angle X-ray scattering (SAXS) or a conventional dynamic light scattering (DLS) detector system. Our results show that the rate of silica nanoparticle formation is proportional to the silica concentration (640 vs. 960 ppm SiO2), and the first detected particles form spheres of approximately 3 nm in diameter. These initial nanoparticles grow and reach a final particle diameter of approximately 7 nm. Interestingly, neither variations in ionic strength (0.02 vs. 0.06) nor temperature (reactions at 30 to 60 °C, mimicking Earth surface values) seem to affect the formation kinetics or the final size of the silica nanoparticles formed. Comparing these results with our previous data from experiments where silica polymerisation and nanoparticle formation was induced by a drop in pH from 12 to near neutral (pH-induced, Tobler et al., 2009) showed that (a) the mechanisms and kinetics of silica nanoparticle nucleation and growth were unaffected by the means to induce silica polymerisation (T drop or pH drop), both following first order reactions kinetics coupled with a surface controlled reaction mechanism. However, the rates of the formation of silica nanoparticles were substantially (around 50%) slower when polymerisation was induced by fast cooling as opposed to pH change. This was evidenced by the occurrence of an induction period, the formation of larger critical nuclei, and the absence of particle aggregation in the T-induced experiments.

Reduction of hexavalent chromium by fasted and fed human gastric fluid. II. Ex vivo gastric reduction modeling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kirman, Christopher R., E-mail: ckirman@summittoxi

To extend previous models of hexavalent chromium [Cr(VI)] reduction by gastric fluid (GF), ex vivo experiments were conducted to address data gaps and limitations identified with respect to (1) GF dilution in the model; (2) reduction of Cr(VI) in fed human GF samples; (3) the number of Cr(VI) reduction pools present in human GF under fed, fasted, and proton pump inhibitor (PPI)-use conditions; and (4) an appropriate form for the pH-dependence of Cr(VI) reduction rate constants. Rates and capacities of Cr(VI) reduction were characterized in gastric contents from fed and fasted volunteers, and from fasted pre-operative patients treated with PPIs.more » Reduction capacities were first estimated over a 4-h reduction period. Once reduction capacity was established, a dual-spike approach was used in speciated isotope dilution mass spectrometry analyses to characterize the concentration-dependence of the 2nd order reduction rate constants. These data, when combined with previously collected data, were well described by a three-pool model (pool 1 = fast reaction with low capacity; pool 2 = slow reaction with higher capacity; pool 3 = very slow reaction with higher capacity) using pH-dependent rate constants characterized by a piecewise, log-linear relationship. These data indicate that human gastric samples, like those collected from rats and mice, contain multiple pools of reducing agents, and low concentrations of Cr(VI) (< 0.7 mg/L) are reduced more rapidly than high concentrations. The data and revised modeling results herein provide improved characterization of Cr(VI) gastric reduction kinetics, critical for Cr(VI) pharmacokinetic modeling and human health risk assessment. - Highlights: • SIDMS allows for measurement of Cr(VI) reduction rate in gastric fluid ex vivo • Human gastric fluid has three reducing pools • Cr(VI) in drinking water at < 0.7 mg/L is rapidly reduced in human gastric fluid • Reduction rate is concentration- and pH-dependent • A refined PK model is used to characterize inter-individual variability in Cr(VI) gastric reduction capacity.« less

Production of bio-oil rich in acetic acid and phenol from fast pyrolysis of palm residues using a fluidized bed reactor: Influence of activated carbons.

PubMed

Jeong, Jae-Yong; Lee, Uen-Do; Chang, Won-Seok; Jeong, Soo-Hwa

2016-11-01

In this study, palm residues were pyrolyzed in a bench-scale (3kg/h) fast pyrolysis plant equipped with a fluidized bed reactor and bio-oil separation system for the production of bio-oil rich in acetic acid and phenol. Pyrolysis experiments were performed to investigate the effects of reaction temperature and the types and amounts of activated carbon on the bio-oil composition. The maximum bio-oil yield obtained was approximately 47wt% at a reaction temperature of 515°C. The main compounds produced from the bio-oils were acetic acid, hydroxyacetone, phenol, and phenolic compounds such as cresol, xylenol, and pyrocatechol. When coal-derived activated carbon was applied, the acetic acid and phenol yields in the bio-oils reached 21 and 19wt%, respectively. Finally, bio-oils rich in acetic acid and phenol could be produced separately by using an in situ bio-oil separation system and activated carbon as an additive. Copyright © 2016 Elsevier Ltd. All rights reserved.

STS-107 Mission Specialist Kalpana Chawla at SPACEHAB during training

NASA Technical Reports Server (NTRS)

2002-01-01

KENNEDY SPACE CENTER, FLA. -- STS-107 Mission Specialist Kalpana Chawla scans paperwork for equipment at SPACEHAB, Cape Canaveral, Fla., during crew training. STS-107 is a research mission. The primary payload is the first flight of the SHI Research Double Module (SHI/RDM). The experiments range from material sciences to life sciences (many rats). Also part of the payload is the Fast Reaction Experiments Enabling Science, Technology, Applications and Research (FREESTAR) that incorporates eight high priority secondary attached shuttle experiments: Mediterranean Israeli Dust Experiment (MEIDEX), Shuttle Ozone Limb Sounding Experiment (SOLSE-2), Student Tracked Atmospheric Research Satellite for Heuristic International Networking Experiment (STARSHINE), Critical Viscosity of Xenon-2 (CVX-2), Solar Constant Experiment-3 (SOLOCON-3), Prototype Synchrotron Radiation Detector (PSRD), Low Power Transceiver (LPT), and Collisions Into Dust Experiment -2 (COLLIDE-2). STS-107 is scheduled to launch in July 2002

A mesoscopic reaction rate model for shock initiation of multi-component PBX explosives.

PubMed

Liu, Y R; Duan, Z P; Zhang, Z Y; Ou, Z C; Huang, F L

2016-11-05

The primary goal of this research is to develop a three-term mesoscopic reaction rate model that consists of a hot-spot ignition, a low-pressure slow burning and a high-pressure fast reaction terms for shock initiation of multi-component Plastic Bonded Explosives (PBX). Thereinto, based on the DZK hot-spot model for a single-component PBX explosive, the hot-spot ignition term as well as its reaction rate is obtained through a "mixing rule" of the explosive components; new expressions for both the low-pressure slow burning term and the high-pressure fast reaction term are also obtained by establishing the relationships between the reaction rate of the multi-component PBX explosive and that of its explosive components, based on the low-pressure slow burning term and the high-pressure fast reaction term of a mesoscopic reaction rate model. Furthermore, for verification, the new reaction rate model is incorporated into the DYNA2D code to simulate numerically the shock initiation process of the PBXC03 and the PBXC10 multi-component PBX explosives, and the numerical results of the pressure histories at different Lagrange locations in explosive are found to be in good agreements with previous experimental data. Copyright © 2016 Elsevier B.V. All rights reserved.

Measurement of 235U(n,n'γ) and 235U(n,2nγ) reaction cross sections

NASA Astrophysics Data System (ADS)

Kerveno, M.; Thiry, J. C.; Bacquias, A.; Borcea, C.; Dessagne, P.; Drohé, J. C.; Goriely, S.; Hilaire, S.; Jericha, E.; Karam, H.; Negret, A.; Pavlik, A.; Plompen, A. J. M.; Romain, P.; Rouki, C.; Rudolf, G.; Stanoiu, M.

2013-02-01

The design of generation IV nuclear reactors and the studies of new fuel cycles require knowledge of the cross sections of various nuclear reactions. Our research is focused on (n,xnγ) reactions occurring in these new reactors. The aim is to measure unknown cross sections and to reduce the uncertainty on present data for reactions and isotopes of interest for transmutation or advanced reactors. The present work studies the 235U(n,n'γ) and 235U(n,2nγ) reactions in the fast neutron energy domain (up to 20 MeV). The experiments were performed with the Geel electron linear accelerator GELINA, which delivers a pulsed white neutron beam. The time characteristics enable measuring neutron energies with the time-of-flight (TOF) technique. The neutron induced reactions [in this case inelastic scattering and (n,2n) reactions] are identified by on-line prompt γ spectroscopy with an experimental setup including four high-purity germanium (HPGe) detectors. A fission ionization chamber is used to monitor the incident neutron flux. The experimental setup and analysis methods are presented and the model calculations performed with the TALYS-1.2 code are discussed.

Fast and ultrafast endocytosis.

PubMed

Watanabe, Shigeki; Boucrot, Emmanuel

2017-08-01

Clathrin-mediated endocytosis (CME) is the main endocytic pathway supporting housekeeping functions in cells. However, CME may be too slow to internalize proteins from the cell surface during certain physiological processes such as reaction to stress hormones ('fight-or-flight' reaction), chemotaxis or compensatory endocytosis following exocytosis of synaptic vesicles or hormone-containing vesicles. These processes take place on a millisecond to second timescale and thus require very rapid cellular reaction to prevent overstimulation or exhaustion of the response. There are several fast endocytic processes identified so far: macropinocytosis, activity-dependent bulk endocytosis (ABDE), fast-endophilin-mediated endocytosis (FEME), kiss-and-run and ultrafast endocytosis. All are clathrin-independent and are not constitutively active but may use different molecular mechanisms to rapidly remove receptors and proteins from the cell surface. Here, we review our current understanding of fast and ultrafast endocytosis, their functions, and molecular mechanisms. Copyright © 2017 Elsevier Ltd. All rights reserved.

KSC-03pd0128

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- Against a backdrop of blue sky and the blue Atlantic Ocean, launch of Space Shuttle Columbia is reflected in the nearby water. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day STS-107 research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

Transient porosity pulses and microfracturing during a stress-generating retrograde metamorphic reaction

NASA Astrophysics Data System (ADS)

Renard, F.; Zheng, X.; Cordonnier, B.; Zhu, W.; Jamtveit, B.

2017-12-01

Several geological processes involve mineral transformations where nominally dry rocks transform into hydrated ones when left in contact with water (i.e. eclogitization, serpentinization). In these systems, the transformation induces stress if the rock is confined, and the new minerals create a so-called force of crystallization. Here, we study a model retrograde metamorphic reaction, the hydration of periclase, MgO, into brucite, Mg(OH)2, to quantify the coupling between reaction, stress generation, porosity evolution and fracturing. This hydration reaction generates a volume increase of 110%, and a density decrease of 33.8% of the solid. Samples of a microporous MgO ceramics were reacted at 170-211°C, 5-80 MPa confining pressure, 6-95 MPa differential stress and 5 MPa pore fluid pressure. They were installed into an X-ray transparent triaxial deformation rig, called Hades, and mounted on a synchrotron microtomography stage. Each experiment lasted between 2 and 5 hours, during which between 35 and 130 three-dimensional images were acquired, allowing to follow the chemical transformation and the deformation of the sample. Below 30 MPa mean pressure, the hydration reaction was coupled to fracturing of the MgO ceramics, and the transformation rate followed a sigmoidal kinetics curve with a slow initiation, a fast reaction coupled to fracturing and the generation of a transient porosity pulse, and a slow-down until an almost complete transformation of periclase into brucite.. Conversely, above 30 MPa, the reaction kinetics was very slow, without fracturing over the time scale of the experiment. When considering the driving force of the hydration reaction, stress generation should be several hundreds MPa, whereas the present experiments show that fracturing occurred only below 30 MPa. This indicates that the potential energy due to phase transformation generates much lower stress than what is estimated from non-equilibrium thermodynamics. A possible interpretation of this observation is that the stress created by the reaction may overcome the disjoining pressure at the grain-grain interface, expelling the water film trapped there and reducing the kinetics of reaction. As a consequence, only a fraction of the available potential driving force was used to accelerate the reaction by microfracturing.

Photochemical versus Thermal Synthesis of Cobalt Oxyhydroxide Nanocrystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alvarado, Samuel R.; Guo, Yijun; Ruberu, T. Purnima A.

2012-04-18

Photochemical methods facilitate the generation, isolation, and study of metastable nanomaterials having unusual size, composition, and morphology. These harder-to-isolate and highly reactive phases, inaccessible using conventional high-temperature pyrolysis, are likely to possess enhanced and unprecedented chemical, electromagnetic, and catalytic properties. We report a fast, low-temperature and scalable photochemical route to synthesize very small (3 nm) monodisperse cobalt oxyhydroxide (Co(O)OH) nanocrystals. This method uses readily and commercially available pentaamminechlorocobalt(III) chloride, [Co(NH3)5Cl]Cl2, under acidic or neutral pH and proceeds under either near-UV (350 nm) or Vis (575 nm) illumination. Control experiments showed that the reaction proceeds at competent rates only in themore » presence of light, does not involve a free radical mechanism, is insensitive to O2, and proceeds in two steps: (1) Aquation of [Co(NH3)5Cl]2+ to yield [Co(NH3)5(H2O)]3+, followed by (2) slow photoinduced release of NH3 from the aqua complex. This reaction is slow enough for Co(O)OH to form but fast enough so that nanocrystals are small (ca. 3 nm). The alternative dark thermal reaction proceeds much more slowly and produces much larger (250 nm) polydisperse Co(O)OH aggregates. UV–Vis absorption measurements and ab initio calculations yield a Co(O)OH band gap of 1.7 eV. Fast thermal annealing of Co(O)OH nanocrystals leads to Co3O4 nanocrystals with overall retention of nanoparticle size and morphology. Thermogravimetric analysis shows that oxyhydroxide to mixed-oxide phase transition occurs at significantly lower temperatures (up to ΔT = 64 °C) for small nanocrystals compared with the bulk.« less

Excited state intramolecular charge transfer reaction in binary mixtures of water and tertiary butanol (TBA): alcohol mole fraction dependence.

PubMed

Pradhan, Tuhin; Ghoshal, Piue; Biswas, Ranjit

2008-02-07

The excited state intramolecular charge transfer reaction of 4-(1-azetidinyl)benzonitrile (P4C) has been studied in water-tertiary butanol (TBA) mixtures at different alcohol mole fractions by using steady state and time-resolved fluorescence spectroscopy. The ratio between the areas under the locally excited (LE) and charge transferred (CT) emission bands is found to exhibit a sharp rise at alcohol mole fraction approximately 0.04, a value at which several thermodynamic properties of this mixture is known to show anomalous change due to the enhancement of H-bonding network. The radiative rate associated with the LE emission also shows a maximum at this TBA mole fraction. Although the structural transition from the water-like tetrahedral network to the alcohol-like chain is reflected in the red shift of the absorption spectrum up to TBA mole fraction approximately 0.10, the emission bands (both LE and CT) show the typical nonideal alcohol mole fraction dependence at all TBA mole fractions. Quantum yield, CT radiative rate as well as transition moments also exhibit a nonideal alcohol mole fraction dependence. The time-resolved emission decay of P4C has been found to be biexponential at all TBA mole fractions, regardless of emission collection around either the LE or the CT bands. The time constant associated with the slow component (tau(slow)) shows a minimum at TBA mole fraction approximately 0.04, whereas such a minimum for the fast time constant, tau(fast) (representing the rate of LE --> CT conversion reaction) is not observed. The nonobservation of the minimum in tau(fast) might be due to the limited time resolution employed in our experiments.

Experimental deformation of a mafic rock - interplay between fracturing, reaction and viscous deformation

NASA Astrophysics Data System (ADS)

Marti, Sina; Stünitz, Holger; Heilbronner, Renée; Plümper, Oliver; Drury, Martyn

2016-04-01

Deformation experiments were performed on natural Maryland Diabase (˜ 55% Plg, 42% Px, 3% accessories, 0.18 wt.-% H2O added) in a Griggs-type deformation apparatus in order to explore the brittle-viscous transition and the interplay between deformation and mineral reactions. Shear experiments at strain rates of ˜ 2e-5 /s are performed, at T=600, 700 and 800°C and confining pressures Pc=1.0 and 1.5 GPa. Deformation localizes in all experiments. Below 700°C, the microstructure is dominated by brittle deformation with a foliation formed by cataclastic flow and high strain accommodated along 3-5 major ultracataclasite shear bands. At 700°C, the bulk of the material still exhibits abundant microfractures, however, deformation localizes into an anastomosing network of shear bands (SB) formed from a fine-grained (<< 1 μm) mixture of newly formed Plg and Amph. These reaction products occur almost exclusively along syn-kinematic structures such as fractures and SB. Experiments at 800°C show extensive mineral reactions, with the main reaction products Amph+Plg (+Zo). Deformation is localized in broad C' and C SB formed by a fine-grained (0.1 - 0.8 μm) mixture of Plg+Amph (+Zo). The onset of mineral reactions in the 700°C experiments shows that reaction kinetics and diffusional mass transport are fast enough to keep up with the short experimental timescales. While in the 700°C experiments brittle processes kinematically contribute to deformation, fracturing is largely absent at 800°C. Diffusive mass transfer dominates. The very small grain size within SB favours a grain size sensitive deformation mechanism. Due to the presence of water (and relatively high supported stresses), dissolution-precipitation creep is interpreted to be the dominant strain accommodating mechanism. From the change of Amph coronas around Px clasts with strain, we can determine that Amph is re-dissolved at high stress sites while growing in low stress sites, showing the ability of Amph to accommodate strain via dissolution precipitation creep. The transition from dominantly brittle, to dominantly viscous deformation is determined by the onset of diffusive mass transport. In the transitional regime, reaction kinetics are strongly dependent on strain energy and viscously deforming SB form most likely from an initial brittle stage in a dominantly brittle behaving rock. Viscous deformation in our experiments takes place at comparatively low experimental T, providing a realistic phase assemblage and likely deformation mechanism for the lower crust.

KSC-03pd0127

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- After a perfect launch, spectators try to catch a last glimpse of Space Shuttle Columbia, barely visible at the top end of the twisted column of smoke. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. Headed for a 16-day research mission, Columbia's crew will be taking part in more than 80 experiment, including FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

KSC-03PP-0146

NASA Technical Reports Server (NTRS)

2003-01-01

KENNEDY SPACE CENTER, FLA. - STS-107 David Brown chats with the Closeout Crew during final preparations of his launch and entry suit in the White Room. The environmentally controlled chamber is mated to Space Shuttle Columbia for entry into the Shuttle. The hatch is seen in the background right. STS-107 is a mission devoted to research and will include more than 80 experiments that will study Earth and space science, advanced technology development, and astronaut health and safety. The payload on Space Shuttle Columbia includes FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Liftoff is scheduled for 10:39 a.m. EST.

KSC-03pp0146

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. - STS-107 David Brown chats with the Closeout Crew during final preparations of his launch and entry suit in the White Room. The environmentally controlled chamber is mated to Space Shuttle Columbia for entry into the Shuttle. The hatch is seen in the background right. STS-107 is a mission devoted to research and will include more than 80 experiments that will study Earth and space science, advanced technology development, and astronaut health and safety. The payload on Space Shuttle Columbia includes FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Liftoff is scheduled for 10:39 a.m. EST.

KSC-03pp0145

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. - STS-107 Mission Specialist Laurel Clark waves to a camera out of view during final preparations of her launch and entry suit in the White Room. The environmentally controlled chamber is mated to Space Shuttle Columbia for entry into the Shuttle. The hatch is seen in the background right. STS-107 is a mission devoted to research and will include more than 80 experiments that will study Earth and space science, advanced technology development, and astronaut health and safety. The payload on Space Shuttle Columbia includes FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Liftoff is scheduled for 10:39 a.m. EST.

KSC-03pp0144

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- STS-107 Mission Specialist Kalpana Chawla gets help with her launch and entry suit from the Closeout Crew in the White Room. The environmentally controlled chamber is mated to Space Shuttle Columbia for entry into the Shuttle. The hatch is seen in the background right. STS-107 is a mission devoted to research and will include more than 80 experiments that will study Earth and space science, advanced technology development, and astronaut health and safety. The payload on Space Shuttle Columbia includes FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Liftoff is scheduled for 10:39 a.m. EST.

KSC-03pp0147

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- STS-107 Payload Commander Michael Anderson gets help with his launch and entry suit from the Closeout Crew in the White Room. The environmentally controlled chamber is mated to Space Shuttle Columbia for entry into the Shuttle. Behind him is Pilot William "Willie" McCool. STS-107 is a mission devoted to research and will include more than 80 experiments that will study Earth and space science, advanced technology development, and astronaut health and safety. The payload on Space Shuttle Columbia includes FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Liftoff is scheduled for 10:39 a.m. EST.

KSC-03pp0148

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. - STS-107 Pilot William "Willie" McCool (center) gets help with his launch and entry suit from the Closeout Crew in the White Room. The environmentally controlled chamber is mated to Space Shuttle Columbia for entry into the Shuttle. In the foreground, left, is Mission Specialist David Brown. STS-107 is a mission devoted to research and will include more than 80 experiments that will study Earth and space science, advanced technology development, and astronaut health and safety. The payload on Space Shuttle Columbia includes FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Liftoff is scheduled for 10:39 a.m. EST.

DANCE : Device for Measurement of (n.g.) Reactions on radioactive Species /

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chamberlin, E. P.; Dragowsky, M.; Fowler, Malcolm M.

2001-01-01

DANCE (Device for Advanced Neutron Capture Experiments) is a 4{pi} 162 element BaF{sub 2} array under development at Los Alamos National Laboratory. It is designed to provide high granularity, fast timing and high photon detection efficiency. It will be located at the Los Alamos Neutron Scattering Center where neutrons are produced using 800 MeV proton induced spallation reactions on heavy element production targets. Using the pulsed high neutron fluence available at this facility combined with time of flight techniques it will be possible to make neutron capture measurements in the neutron energy range from eV to 100's of keV onmore » rare and radioactive target material at the milligram and below level. These measurements will provide critically needed data for the interpretation of the astrophysical s-process 'branching point' nuclei as well as information for reactions needed in understanding transmutation processes of radioactive species.« less

Evidence of 9Be  +  p nuclear reactions during 2ω CH and hydrogen minority ICRH in JET-ILW hydrogen and deuterium plasmas

NASA Astrophysics Data System (ADS)

Krasilnikov, A. V.; Kiptily, V.; Lerche, E.; Van Eester, D.; Afanasyev, V. I.; Giroud, C.; Goloborodko, V.; Hellesen, C.; Popovichev, S. V.; Mironov, M. I.; contributors, JET

2018-02-01

The intensity of 9Be  +  p nuclear fusion reactions was experimentally studied during second harmonic (2ω CH) ion-cyclotron resonance heating (ICRH) and further analyzed during fundamental hydrogen minority ICRH of JET-ILW hydrogen and deuterium plasmas. In relatively low-density plasmas with a high ICRH power, a population of fast H+ ions was created and measured by neutral particle analyzers. Primary and secondary nuclear reaction products, due to 9Be  +  p interaction, were observed with fast ion loss detectors, γ-ray spectrometers and neutron flux monitors and spectrometers. The possibility of using 9Be(p, d)2α and 9Be(p, α)6Li nuclear reactions to create a population of fast alpha particles and study their behaviour in non-active stage of ITER operation is discussed in the paper.

Cross-section measurement for the 67Zn(n, α)64Ni reaction at 6.0 MeV

NASA Astrophysics Data System (ADS)

Zhang, Guohui; Wu, Hao; Zhang, Jiaguo; Liu, Jiaming; Chen, Jinxiang; Gledenov, Yu. M.; Sedysheva, M. V.; Khuukhenkhuu, G.; Szalanski, P. J.

2010-01-01

Up to now, no experimental cross-section data exist for the 67Zn ( n, α) 64Ni reaction in the MeV neutron energy region. In the present work, the cross-section of the 67Zn ( n, α) 64Ni reaction was measured at E n = 6.0 MeV. Experiments were performed at the Van de Graaff accelerator of Peking University, China. Fast neutrons were produced through the D ( d, n) 3He reaction using a deuterium gas target. Absolute neutron flux was determined by a small 238U fission chamber and a BF3 long counter was used as a neutron flux monitor. A twin gridded ionization chamber was employed as the α -particle detector and two back-to-back 67Zn samples were used for α events measurement. Background was measured and subtracted from foreground. The measured cross-section of the 67Zn ( n, α) 64Ni reaction was 7.3 (1±15%) mb at 6.0MeV. The present result was compared with existing evaluations and TALYS code calculations.

Preliminary measurements of neutrons from the D-D reaction in the COMPASS tokamak

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dankowski, J., E-mail: jan.dankowski@ifj.edu.pl; Kurowski, A.; Twarog, D.

Recent results of measured fast neutrons created in the D-D reaction on the COMPASS tokamak during ohmic discharges are presented in this paper. Two different type detectors were used during experiment. He-3 detectors and bubble detectors as a support. The measurements are an introduction for neutron diagnostic on tokamak COMPASS and monitoring neutrons during discharges with Neutral Beam Injection (NBI). The He-3 counters and bubble detectors were located in two positions near tokamak vacuum chamber at a distance less than 40 cm to the centre of plasma. The neutrons flux was observed in ohmic discharges. However, analysis of our resultsmore » does not indicate any clear source of neutrons production during ohmic discharges.« less

Formation of nanocarbon spheres by thermal treatment of woody char from fast pyrolysis process

Treesearch

Qiangu Yan; Hossein Toghiani; Zhiyong Cai; Jilei Zhang

2014-01-01

Influences of thermal treatment conditions of temperature, reaction cycle and time, and purge gas type on nanocarbon formation over bio-chars from fast pyrolysis and effects of thermal reaction cycle and purge gas type on bio-char surface functional groups were investigated by temperature-programmed desorption (TPD) and temperature programmed reduction methods....

Accidental neutron dosimetry with human hair

NASA Astrophysics Data System (ADS)

Ekendahl, Daniela; Bečková, Věra; Zdychová, Vlasta; Bulánek, Boris; Prouza, Zdeněk; Štefánik, Milan

2014-11-01

Human hair contains sulfur, which can be activated by fast neutrons. The 32S(n,p)32P reaction with a threshold of 2.5 MeV was used for fast neutron dose estimation. It is a very important parameter for individual dose reconstruction with regards to the heterogeneity of the neutron transfer to the human body. Samples of human hair were irradiated in a radial channel of a training reactor VR-1. 32P activity in hair was measured both, directly by means of a proportional counter, and as ash dispersed in a liquid scintillator. Based on neutron spectrum estimation, a relationship between the neutron dose and induced activity was derived. The experiment verified the practical feasibility of this dosimetry method in cases of criticality accidents or malevolent acts with nuclear materials.

Performance study of the neutron-TPC

NASA Astrophysics Data System (ADS)

Huang, Meng; Li, Yulan; Niu, Libo; Deng, Zhi; Cheng, Xiaolei; He, Li; Zhang, Hongyan; Fu, Jianqiang; Yan, Yangyang; Cai, Yiming; Li, Yuanjing

2017-02-01

Fast neutron spectrometers will play an important role in the future of the nuclear industry and nuclear physics experiments, in tasks such as fast neutron reactor monitoring, thermo-nuclear fusion plasma diagnostics, nuclear reaction cross-section measurement, and special nuclear material detection. Recently, a new fast neutron spectrometer based on a GEM (Gas Electron Multiplier amplification)-TPC (Time Projection Chamber), named the neutron-TPC, has been under development at Tsinghua University. It is designed to have a high energy resolution, high detection efficiency, easy access to the medium material, an outstanding n/γ suppression ratio, and a wide range of applications. This paper presents the design, test, and experimental study of the neutron-TPC. Based on the experimental results, the energy resolution (FWHM) of the neutron-TPC can reach 15.7%, 10.3% and 7.0% with detection efficiency higher than 10-5 for 1.2 MeV, 1.81 MeV and 2.5 MeV neutrons respectively. Supported by National Natural Science Foundation of China (11275109)

α and 2 p 2 n emission in fast neutron-induced reactions on 60Ni

NASA Astrophysics Data System (ADS)

Fotiades, N.; Devlin, M.; Haight, R. C.; Nelson, R. O.; Kunieda, S.; Kawano, T.

2015-06-01

Background: The cross sections for populating the residual nucleus in the reaction ZAX(n,x) Z -2 A -4Y exhibit peaks as a function of incident neutron energy corresponding to the (n ,n'α ) reaction and, at higher energy, to the (n ,2 p 3 n ) reaction. The relative magnitudes of these peaks vary with the Z of the target nucleus. Purpose: Study fast neutron-induced reactions on 60Ni. Locate experimentally the nuclear charge region along the line of stability where the cross sections for α emission and for 2 p 2 n emission in fast neutron-induced reactions are comparable as a further test of reaction models. Methods: Data were taken by using the Germanium Array for Neutron-Induced Excitations. The broad-spectrum pulsed neutron beam of the Los Alamos Neutron Science Center's Weapons Neutron Research facility provided neutrons in the energy range from 1 to 250 MeV. The time-of-flight technique was used to determine the incident-neutron energies. Results: Absolute partial cross sections for production of seven discrete Fe γ rays populated in 60Ni (n ,α /2 p x n γ ) reactions with 2 ≤x ≤5 were measured for neutron energies 1 MeV

pH-regulated formation of side products in the reductive amination approach for differential labeling of peptides in relative quantitative experiments.

PubMed

Levi Mortera, Stefano; Dioni, Ilaria; Greco, Viviana; Neri, Cristina; Rovero, Paolo; Urbani, Andrea

2014-05-01

Among the most common stable-isotope labeling strategies, the reaction of formaldehyde with peptides in the presence of NaCNBH₃ features many attractive aspects that are conducive to its employment in quantitation experiments in proteomics. Reductive amination, with formaldehyde and d(2)-formaldehyde, is reported to be a fast, easy, and specific reaction, undoubtedly inexpensive if compared with commercially available kits for differential isotope coding. Acetaldehyde and d(4)-acetaldehyde could be employed as well without a substantial increase in terms of cost, and should provide a wider spacing between the differentially tagged peptides in the mass spectrum. Nevertheless, only a single paper reports about a diethylation approach for quantitation. We undertook a systematic analytical investigation on the reductive amination of some standard peptides pointing out the occasional occurrence of side reactions in dependence of pH or reagents order of addition, particularly observing the formation of cyclic adducts ascribable to rearrangements involving the generated Schiff-base and all the nucleophilic sites of its chemical environment. We also tried to evaluate how much this side-products amount may impair isotope coded relative quantitation.

Validation of the U-238 inelastic scattering neutron cross section through the EXCALIBUR dedicated experiment

NASA Astrophysics Data System (ADS)

Leconte, Pierre; Bernard, David

2017-09-01

EXCALIBUR is an integral transmission experiment based on the fast neutron source produced by the bare highly enriched fast burst reactor CALIBAN, located in CEA/DAM Valduc (France). Two experimental campaigns have been performed, one using a sphere of diameter 17 cm and one using two cylinders of 17 cm diameter 9 cm height, both made of metallic Uranium 238. A set of 15 different dosimeters with specific threshold energies have been employed to provide information on the neutron flux attenuation as a function of incident energy. Measurements uncertainties are typically in the range of 0.5-3% (1σ). The analysis of these experiments is performed with the TRIPOLI4 continuous energy Monte Carlo code. A calculation benchmark with validated simplifications is defined in order to improve the statistical convergence under 2%. Various 238U evaluations have been tested: JEFF-3.1.1, ENDF/B-VII.1 and the IB36 evaluation from IAEA. A sensitivity analysis is presented to identify the contribution of each reaction cross section to the integral transmission rate. This feedback may be of interest for the international effort on 238U, through the CIELO project.

Studying Fast Reactions: Construction and Use of a Low-Cost Continuous-Flow Instrument

ERIC Educational Resources Information Center

Bisson, Patrick J.; Whitten, James E.

2006-01-01

The construction and use of a low-cost continuous-flow instrument for measuring the kinetics of fast reaction which include the use of an light emitting diode light source, a photodiode-on-a-chip detector, and a position sensor is demonstrated. The instrument is suitable for the physical chemistry laboratory and could be used to study the kinetics…

Fast quench reactor and method

DOEpatents

Detering, Brent A.; Donaldson, Alan D.; Fincke, James R.; Kong, Peter C.

2002-01-01

A fast quench reaction includes a reactor chamber having a high temperature heating means such as a plasma torch at its inlet and a restrictive convergent-divergent nozzle at its outlet end. Reactants are injected into the reactor chamber. The resulting heated gaseous stream is then rapidly cooled by passage through the nozzle. This "freezes" the desired end product(s) in the heated equilibrium reaction stage.

Fast quench reactor and method

DOEpatents

Detering, Brent A.; Donaldson, Alan D.; Fincke, James R.; Kong, Peter C.

1998-01-01

A fast quench reaction includes a reactor chamber having a high temperature heating means such as a plasma torch at its inlet and a restrictive convergent-divergent nozzle at its outlet end. Reactants are injected into the reactor chamber. The resulting heated gaseous stream is then rapidly cooled by passage through the nozzle. This "freezes" the desired end product(s) in the heated equilibrium reaction stage.

Fast quench reactor and method

DOEpatents

Detering, Brent A.; Donaldson, Alan D.; Fincke, James R.; Kong, Peter C.

2002-09-24

A fast quench reaction includes a reactor chamber having a high temperature heating means such as a plasma torch at its inlet and a restrictive convergent-divergent nozzle at its outlet end. Reactants are injected into the reactor chamber. The resulting heated gaseous stream is then rapidly cooled by passage through the nozzle. This "freezes" the desired end product(s) in the heated equilibrium reaction stage.

Synthesis of Cesium Lead Halide Perovskite Nanocrystals in a Droplet-Based Microfluidic Platform: Fast Parametric Space Mapping.

PubMed

Lignos, Ioannis; Stavrakis, Stavros; Nedelcu, Georgian; Protesescu, Loredana; deMello, Andrew J; Kovalenko, Maksym V

2016-03-09

Prior to this work, fully inorganic nanocrystals of cesium lead halide perovskite (CsPbX3, X = Br, I, Cl and Cl/Br and Br/I mixed halide systems), exhibiting bright and tunable photoluminescence, have been synthesized using conventional batch (flask-based) reactions. Unfortunately, our understanding of the parameters governing the formation of these nanocrystals is still very limited due to extremely fast reaction kinetics and multiple variables involved in ion-metathesis-based synthesis of such multinary halide systems. Herein, we report the use of a droplet-based microfluidic platform for the synthesis of CsPbX3 nanocrystals. The combination of online photoluminescence and absorption measurements and the fast mixing of reagents within such a platform allows the rigorous and rapid mapping of the reaction parameters, including molar ratios of Cs, Pb, and halide precursors, reaction temperatures, and reaction times. This translates into enormous savings in reagent usage and screening times when compared to analogous batch synthetic approaches. The early-stage insight into the mechanism of nucleation of metal halide nanocrystals suggests similarities with multinary metal chalcogenide systems, albeit with much faster reaction kinetics in the case of halides. Furthermore, we show that microfluidics-optimized synthesis parameters are also directly transferrable to the conventional flask-based reaction.

Rethinking fast and slow based on a critique of reaction-time reverse inference

PubMed Central

Krajbich, Ian; Bartling, Björn; Hare, Todd; Fehr, Ernst

2015-01-01

Do people intuitively favour certain actions over others? In some dual-process research, reaction-time (RT) data have been used to infer that certain choices are intuitive. However, the use of behavioural or biological measures to infer mental function, popularly known as ‘reverse inference', is problematic because it does not take into account other sources of variability in the data, such as discriminability of the choice options. Here we use two example data sets obtained from value-based choice experiments to demonstrate that, after controlling for discriminability (that is, strength-of-preference), there is no evidence that one type of choice is systematically faster than the other. Moreover, using specific variations of a prominent value-based choice experiment, we are able to predictably replicate, eliminate or reverse previously reported correlations between RT and selfishness. Thus, our findings shed crucial light on the use of RT in inferring mental processes and strongly caution against using RT differences as evidence favouring dual-process accounts. PMID:26135809

Rethinking fast and slow based on a critique of reaction-time reverse inference.

PubMed

Krajbich, Ian; Bartling, Björn; Hare, Todd; Fehr, Ernst

2015-07-02

Do people intuitively favour certain actions over others? In some dual-process research, reaction-time (RT) data have been used to infer that certain choices are intuitive. However, the use of behavioural or biological measures to infer mental function, popularly known as 'reverse inference', is problematic because it does not take into account other sources of variability in the data, such as discriminability of the choice options. Here we use two example data sets obtained from value-based choice experiments to demonstrate that, after controlling for discriminability (that is, strength-of-preference), there is no evidence that one type of choice is systematically faster than the other. Moreover, using specific variations of a prominent value-based choice experiment, we are able to predictably replicate, eliminate or reverse previously reported correlations between RT and selfishness. Thus, our findings shed crucial light on the use of RT in inferring mental processes and strongly caution against using RT differences as evidence favouring dual-process accounts.

Click chemistry in the Development of Contrast Agents for Magnetic Resonance Imaging

PubMed Central

Hapuarachchige, Sudath; Artemov, Dmitri

2016-01-01

Click chemistry provides fast, convenient, versatile and reliable chemical reactions that take place between pairs of functional groups of small molecules that can be purified without chromatographic methods. Due to the fast kinetics and low or no elimination of byproducts, click chemistry is a promising approach that is rapidly gaining acceptance in drug discovery, radiochemistry, bioconjugation, and nanoscience applications. Increasing use of click chemistry in synthetic procedures or as a bioconjugation technique in diagnostic imaging is occurring because click reactions are fast, provide a quantitative yield, and produce minimal amount of nontoxic byproducts. This review summarizes the recent application of click chemistry in magnetic resonance imaging and discusses the directions for applying novel click reactions and strategies for further improving MRI performance. PMID:27748712

Electronic processes in fast thermite chemical reactions: a first-principles molecular dynamics study.

PubMed

Shimojo, Fuyuki; Nakano, Aiichiro; Kalia, Rajiv K; Vashishta, Priya

2008-06-01

Rapid reaction of a molten metal with an oxide is the key to understanding recently discovered fast reactions in nanothermite composites. We have investigated the thermite reaction of Fe2O3 with aluminum by molecular dynamics simulations with interatomic forces calculated quantum mechanically in the framework of the density functional theory. A redox reaction to form iron metal and Al2O3 initiates with the rapid formation of Al-O bonds at the interface within 1 ps, followed by the propagation of the combustion front with a velocity of 70 m/s for at least 5 ps at 2000 K. The reaction time for an oxygen atom to change character from Fe2O3 type to Al2O3 type at the interface is estimated to be 1.7+/-0.9 ps , and bond-overlap population analysis has been used to calculate reaction rates.

Eliminating fast reactions in stochastic simulations of biochemical networks: A bistable genetic switch

NASA Astrophysics Data System (ADS)

Morelli, Marco J.; Allen, Rosalind J.; Tǎnase-Nicola, Sorin; ten Wolde, Pieter Rein

2008-01-01

In many stochastic simulations of biochemical reaction networks, it is desirable to "coarse grain" the reaction set, removing fast reactions while retaining the correct system dynamics. Various coarse-graining methods have been proposed, but it remains unclear which methods are reliable and which reactions can safely be eliminated. We address these issues for a model gene regulatory network that is particularly sensitive to dynamical fluctuations: a bistable genetic switch. We remove protein-DNA and/or protein-protein association-dissociation reactions from the reaction set using various coarse-graining strategies. We determine the effects on the steady-state probability distribution function and on the rate of fluctuation-driven switch flipping transitions. We find that protein-protein interactions may be safely eliminated from the reaction set, but protein-DNA interactions may not. We also find that it is important to use the chemical master equation rather than macroscopic rate equations to compute effective propensity functions for the coarse-grained reactions.

Fast Pb-glass neutron-to-light converter for ICF (Inertial Confinement Fusion) target burn history measurements

NASA Astrophysics Data System (ADS)

Lerche, R. A.; Cable, M. D.; Phillion, D. W.

1990-09-01

We are developing a streak camera based instrument to diagnose the fusion reaction rate (burn history) within laser-driven ICF targets filled with D-T fuel. Recently, we attempted measurements using the 16.7 MeV gamma ray emitted in the T(d,gamma)He(5) fusion reaction. Pb glass which has a large cross section for pair production acts as a gamma-ray-to-light converter. Gamma rays interact within the glass to form electron-positron pairs that produce large amounts (1000 photons/gamma ray) of prompt (less than 10 ps) Cerenkov light as they slow down. In our experimental instrument, an f/10 Cassegrain telescope optically couples light produced within the converter to a streak camera having 20-ps resolution. Experiments using high-yield (10(exp 13) D-T neutrons), direct-drive targets at Nova produced good signals with widths of 200 ps. Time-of-flight measurements show the signals to be induced by neutrons rather than gamma rays. The Pb glass appears to act as a fast neutron-to-light converter. We continue to study the interactions process and the possibility of using the 16.7 MeV gamma rays for burn time measurements.

Spectroscopic Investigations with Dual Neutron-Gamma Scintillators

NASA Astrophysics Data System (ADS)

Chowdhury, P.; Brown, T.; Doucet, E.; Lister, C. J.; Morse, C.; Rogers, A. M.; Wilson, G. L.; Devlin, M.; Fotiades, N.; Gomez, J. A.; Mosby, S.

2017-09-01

The spectroscopic capabilities of 7Li-enriched Cs27LiYCl6 (C7LYC) dual neutron-gamma scintillators are being tested in diverse application arenas to exploit the excellent pulse-shape discrimination together with the unprecedented pulse height resolution ( 10%) for fast neutrons in the < 8 MeV range via the 35Cl(n,p) reaction. Test experiments include both elastic and inelastic neutron scattering cross-sections on 56Fe at Los Alamos with a pulsed white neutron source, as well as (p,n) and (d,n) reactions on low-Z targets using mono-energetic proton and deuteron beams from the 5.5 MV Van de Graaff accelerator at the UMass Lowell Radiation Laboratory. Tests of waveform digitizers with different sampling rates are also being performed. A key goal is to evaluate whether the low intrinsic efficiency of C7LYC for fast neutrons compared to traditional neutron detectors, such as liquid scintillators, can be effectively offset by the gain in solid angle obtained by positioning the detectors much closer to the target, since the typical long time-of-flight arms for energy resolution are not necessary. Supported by the NNSA Stewardship Science Academic Alliance Program under Grant DE-NA0002932.

Problems encountered in the use of neutron methods for elemental analysis on planetary surfaces

USGS Publications Warehouse

Senftle, F.; Philbin, P.; Moxham, R.; Boynton, G.; Trombka, J.

1974-01-01

From experimental studies of gamma rays from fast and thermal neutron reactions in hydrogeneous and non-hydrogeneous, semi-infinite samples and from Monte Carlo calculations on soil of a composition which might typically be encountered on planetary surfaces, it is found that gamma rays from fast or inelastic scattering reactions would dominate the observed spectra. With the exception of gamma rays formed by inelastically scattered neutrons on oxygen, useful spectra would be limited to energies below 3 MeV. Other experiments were performed which show that if a gamma-ray detector were placed within 6 m of an isotopic neutron source in a spacecraft, it would be rendered useless for gamma-ray spectrometry below 3 MeV because of internal activation produced by neutron exposure during space travel. Adequate shielding is not practicable because of the size and weight constraints for planetary missions. Thus, it is required that the source be turned off or removed to a safe distance during non-measurement periods. In view of these results an accelerator or an off-on isotopic source would be desirable for practical gamma-ray spectral analysis on planetary surfaces containing but minor amounts of hydrogen. ?? 1974.

Generation of skeletal mechanism by means of projected entropy participation indices

NASA Astrophysics Data System (ADS)

Paolucci, Samuel; Valorani, Mauro; Ciottoli, Pietro Paolo; Galassi, Riccardo Malpica

2017-11-01

When the dynamics of reactive systems develop very-slow and very-fast time scales separated by a range of active time scales, with gaps in the fast/active and slow/active time scales, then it is possible to achieve multi-scale adaptive model reduction along-with the integration of the ODEs using the G-Scheme. The scheme assumes that the dynamics is decomposed into active, slow, fast, and invariant subspaces. We derive expressions that establish a direct link between time scales and entropy production by using estimates provided by the G-Scheme. To calculate the contribution to entropy production, we resort to a standard model of a constant pressure, adiabatic, batch reactor, where the mixture temperature of the reactants is initially set above the auto-ignition temperature. Numerical experiments show that the contribution to entropy production of the fast subspace is of the same magnitude as the error threshold chosen for the identification of the decomposition of the tangent space, and the contribution of the slow subspace is generally much smaller than that of the active subspace. The information on entropy production associated with reactions within each subspace is used to define an entropy participation index that is subsequently utilized for model reduction.

KSC-03pd0117

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. - A crowd by the countdown clock watches as Space Shuttle Columbia roars toward space on mission STS-107. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Landing is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

KSC-03pd0116

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. - Seconds after launch, Space Shuttle Columbia appears as a flaming tip of the smoke column it trails. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Landing is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

KSC-03pd0119

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- Seconds after launch, Space Shuttle Columbia appears as a flaming tip of the smoke column it trails. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Landing is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

KSC-03pd0115

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- Trailing a twisting column of smoke, Space Shuttle Columbia hurtles toward space on mission STS-107. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Landing is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

KSC-03pd0114

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- Space Shuttle Columbia hurtles through a perfect blue Florida sky following a flawless and uneventful countdown. Liftoff of Columbia on mission STS-107 occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Landing is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program

KSC-03PP-0149

NASA Technical Reports Server (NTRS)

2003-01-01

KENNEDY SPACE CENTER, FLA. -- STS-107 Payload Specialist Ilan Ramon, who represents the Israel Space Agency, chats with the Closeout Crew in the White Room before entering Columbia. The environmentally controlled chamber is mated to Space Shuttle Columbia for entry into the Shuttle. Ramon is the first Israeli astronaut to fly in the Shuttle. STS-107 is a mission devoted to research and will include more than 80 experiments that will study Earth and space science, advanced technology development, and astronaut health and safety. The payload on Space Shuttle Columbia includes FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Liftoff is scheduled for 10:39 a.m. EST.

STS-107 Crew Interviews: David Brown MS1

NASA Technical Reports Server (NTRS)

2002-01-01

STS-107 Mission Specialist 1 David Brown is seen during this preflight interview where he gives a quick overview of the mission before answering questions about his inspiration to become an astronaut and his career. Brown outlines his role in the mission in general, and specifically during the conducting of on-board science experiments. Brown discusses the following instruments and experiments in detail: ARMS (Advanced Respiratory Monitoring System), MEIDEX (Mediterranean Israeli Dust Experiment), Combustion Module 2, and FREESTAR (Fast Reaction Enables Science Technology and Research). He also describes the new primary payload carrier, the SPACEHAB research double module which doubles the amount of space available for research. Brown shares his thoughts about the importance of international cooperation in mission planning and the need for scientific research in space.

KSC-03pp0149

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- STS-107 Payload Specialist Ilan Ramon, who represents the Israel Space Agency, chats with the Closeout Crew in the White Room before entering Columbia. The environmentally controlled chamber is mated to Space Shuttle Columbia for entry into the Shuttle. Ramon is the first Israeli astronaut to fly in the Shuttle. STS-107 is a mission devoted to research and will include more than 80 experiments that will study Earth and space science, advanced technology development, and astronaut health and safety. The payload on Space Shuttle Columbia includes FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Liftoff is scheduled for 10:39 a.m. EST.

Kinetic mechanism of L-α-glycerophosphate oxidase from Mycoplasma pneumoniae.

PubMed

Maenpuen, Somchart; Watthaisong, Pratchaya; Supon, Pacharee; Sucharitakul, Jeerus; Parsonage, Derek; Karplus, P Andrew; Claiborne, Al; Chaiyen, Pimchai

2015-08-01

L-α-glycerophosphate oxidase is an FAD-dependent enzyme that catalyzes the oxidation of L-α-glycerophosphate (Glp) by molecular oxygen to generate dihydroxyacetone phosphate (DHAP) and hydrogen peroxide (H2O2). The catalytic properties of recombinant His6-GlpO from Mycoplasma pneumoniae (His6-MpGlpO) were investigated through transient and steady-state kinetics and ligand binding studies. The results indicate that the reaction mechanism of His6-MpGlpO follows a ping-pong model. Double-mixing mode stopped-flow experiments show that, after flavin-mediated substrate oxidation, DHAP leaves rapidly prior to the oxygen reaction. The values determined for the individual rate constants and kcat (4.2 s(-1) at 4 °C), in addition to the finding that H2 O2 binds to the oxidized enzyme, suggest that H2O2 release is the rate-limiting step for the overall reaction. The results indicate that His6 -MpGlpO contains mixed populations of fast- and slow-reacting species. It is predominantly the fast-reacting species that participates in turnover. In contrast to other GlpO enzymes previously described, His6-MpGlpO is able to catalyze the reverse reaction of reduced enzyme and DHAP. This result may be explained by the standard reduction potential value of His6-MpGlpO (-167 ± 1 mV), which is lower than those of GlpO from other species. We found that D,L-glyceraldehyde 3-phosphate (GAP) may be used as a substrate in the His6-MpGlpO reaction, although it exhibited an approximately 100-fold lower kcat value in comparison with the reaction of Glp. These results also imply involvement of GlpO in glycolysis, as well as in lipid and glycerol metabolism. The kinetic models and distinctive properties of His6-MpGlpO reported here should be useful for future drug development against Mycoplasma pneumoniae infection. © 2015 FEBS.

Dehydration kinetics of talc and 10 Å phase: Consequences for subduction zone seismicity

NASA Astrophysics Data System (ADS)

Chollet, Mélanie; Daniel, Isabelle; Koga, Kenneth T.; Petitgirard, Sylvain; Morard, Guillaume

2009-06-01

The process of dehydration embrittlement is usually proposed as an explanation for the presence of intermediate-depth earthquakes in subduction zones. It assumes that the release of water by hydrous mineral breakdown is fast enough to provoke brittle failure. We performed high-pressure, high-temperature, dehydration experiments of talc and 10 Å phase coupled with in situ measurement of reaction kinetics using synchrotron X-ray diffraction. Newly developed, X-ray transparent, pressure-sealed, titanium capsule ensured a closed thermochemical environment. From isothermal kinetics data fitted to the Avrami's equation and from the texture of reaction products, we conclude that dehydration rates of these minerals are limited by diffusion. Predicted minimum rates of fluid release range from 10 - 4 to 9 × 10 - 6 m 3fluid m - 3 rock s - 1 , and are fast enough to provoke hydraulic rupture since Maxwell relaxation rate of rocks relevant of subduction zones are slower than the rate of fluid release. These rates are comparable between talc, 10 Å phase and antigorite also [Perrillat, J.-P., Daniel, I., Koga, K.T., Reynard, B., Cardon, H., Crichton, W.A., 2005. Kinetics of antigorite dehydration: a real-time X-ray diffraction study. Earth Planet. Sci. Lett. 236, 899-913]. Consequently, we suggest that the dehydration of hydrous minerals may eventually be fast enough to trigger the intermediate-depth earthquakes, and that the deepest among intermediate-depth earthquakes may actually locate the limits for dehydration of hydrous minerals in the downgoing lithosphere.

Fast neutron measurements with 7Li and 6Li enriched CLYC scintillators

NASA Astrophysics Data System (ADS)

Giaz, A.; Blasi, N.; Boiano, C.; Brambilla, S.; Camera, F.; Cattadori, C.; Ceruti, S.; Gramegna, F.; Marchi, T.; Mattei, I.; Mentana, A.; Million, B.; Pellegri, L.; Rebai, M.; Riboldi, S.; Salamida, F.; Tardocchi, M.

2016-07-01

The recently developed Cs2LiYCl6:Ce (CLYC) crystals are interesting scintillation detectors not only for their gamma energy resolution (<5% at 662 keV) but also for their capability to identify and measure the energy of both gamma rays and fast/thermal neutrons. The thermal neutrons were detected by the 6Li(n,α)t reaction while for the fast neutrons the 35Cl(n,p)35S and 35Cl(n,α)32P neutron-capture reactions were exploited. The energy of the outgoing proton or α particle scales linearly with the incident neutron energy. The kinetic energy of the fast neutrons can be measured using both the Time Of Flight (TOF) technique and using the CLYC energy signal. In this work, the response to monochromatic fast neutrons (1.9-3.8 MeV) of two CLYC 1″×1″ crystals was measured using both the TOF and the energy signal. The observables were combined to identify fast neutrons, to subtract the thermal neutron background and to identify different fast neutron-capture reactions on 35Cl, in other words to understand if the detected particle is an α or a proton. We performed a dedicated measurement at the CN accelerator facility of the INFN Legnaro National Laboratories (Italy), where the fast neutrons were produced by impinging a proton beam (4.5, 5.0 and 5.5 MeV) on a 7LiF target. We tested a CLYC detector 6Li-enriched at about 95%, which is ideal for thermal neutron measurements, in parallel with another CLYC detector 7Li-enriched at more than 99%, which is suitable for fast neutron measurements.

The Polarized Deuteron Breakup Experiment at COSY

NASA Astrophysics Data System (ADS)

Rathmann, F.; Barsov, S.; Dymov, S.; Kacharava, A.; Khoukaz, A.; Komarov, V.; Kulikov, A.; Kurbatov, A.; Lang, N.; Lehmann, I.; Lorentz, B.; Macharashvili, G.; Mussgiller, A.; Paetz gen. Schieck, H.; Schleichert, R.; Seyfarth, H.; Steffens, E.; Ströher, H.; Uzikov, Yu.; Yaschenko, S.; Zalikhanov, B.

2003-07-01

A study of the deuteron breakup reaction pd → (pp)n with forward emission of a fast proton pair with small excitation energy Epp < 3 MeV has been performed using the ANKE spectrometer at COSY Jülich. The differential cross section of the breakup reaction, averaged up to 8° over the cm polar angle of the total momentum of the pp pairs, has been obtained at six proton beam energies Tp = 0.6, 0.7, 0.8, 0.95, 1.35, and 1.9 GeV. A first measurement of the vector analyzing power Ayp has been carried out, using a polarization normalization obtained with the EDDA detector. In addition, for the first time asymmetries of p⃗d elastic scattering at Tp = 500 MeV have been recorded with the spectator setup at ANKE.

Preservation of water samples for arsenic(III/V) determinations: An evaluation of the literature and new analytical results

USGS Publications Warehouse

McCleskey, R. Blaine; Nordstrom, D. Kirk; Maest, A.S.

2004-01-01

Published literature on preservation procedures for stabilizing aqueous inorganic As(III/V) redox species contains discrepancies. This study critically evaluates published reports on As redox preservation and explains discrepancies in the literature. Synthetic laboratory preservation experiments and time stability experiments were conducted for natural water samples from several field sites. Any field collection procedure that filters out microorganisms, adds a reagent that prevents dissolved Fe and Mn oxidation and precipitation, and isolates the sample from solar radiation will preserve the As(III/V) ratio. Reagents that prevent Fe and Mn oxidation and precipitation include HCl, H 2SO4, and EDTA, although extremely high concentrations of EDTA are necessary for some water samples high in Fe. Photo-catalyzed Fe(III) reduction causes As(III) oxidation; however, storing the sample in the dark prevents photochemical reactions. Furthermore, the presence of Fe(II) or SO 4 inhibits the oxidation of As(III) by Fe(III) because of complexation reactions and competing reactions with free radicals. Consequently, fast abiotic As(III) oxidation reactions observed in the laboratory are not observed in natural water samples for one or more of the following reasons: (1) the As redox species have already stabilized, (2) most natural waters contain very low dissolved Fe(III) concentrations, (3) the As(III) oxidation caused by Fe(III) photoreduction is inhibited by Fe(II) or SO4.

What limits the yield of levoglucosan during fast pyrolysis of cellulose?

NASA Astrophysics Data System (ADS)

Proano-Aviles, Juan

The pyrolysis of cellulose to form levoglucosan is investigated in this study. Although the stoichiometric yield of levoglucosan from the pyrolysis of cellulose is expected to be 100%, only about 60 wt.% yields are reported in the literature. Several possible reasons for this limitation are investigated through experiments in micropyrolyzers and computational studies on the depolymerization of cellulose. Heat and mass transfer limitations in an experimental apparatus is one possible limitation on the yield of levoglucosan. Repolymerization of condensed phase reaction intermediates could prevent the formation and release of volatile levoglucosan. Thermohydrolysis of pyrolyzing cellulose to form non-volatile and thermally unstable glucose has also been proposed as a mechanism that reduces levoglucosan yields. Secondary reactions in the gas phase were also investigated to explain limitations on levoglucosan yields. Population balance models were developed to test ideas on how cellulose depolymerized to form levoglucosan at less than stoichiometric yields. These models were supported with chemical kinetic data obtained from transient pyrolysis experiments. Under carefully controlled experimental conditions, no evidence was found for heat and mass transfer effects limiting levoglucosan yields to 60 wt.% nor do secondary reactions in the condensed- or gas-phases appear to offer a satisfactory explanation. Based on modeling results, it appears levoglucosan-forming reaction rates that decrease as oligosaccharide chain length decreases is the most plausible explanation for limitations on levoglucosan yield from cellulose.

Singlet oxygen production by chloroperoxidase-hydrogen peroxide-halide systems.

PubMed

Kanofsky, J R

1984-05-10

Singlet oxygen production in the chloroperoxidase-hydrogen peroxide-halide system was studied using 1268 nm chemiluminescence. With chloride or bromide ions, singlet oxygen is produced by the mechanism (formula; see text) (formula; see text) where X- is chloride or bromide ion. Under conditions where there is high enzyme activity and when Reaction B is fast relative to Reaction A, singlet oxygen is produced in near stoichiometric amounts. In contrast, when Reaction A is fast relative to Reaction B, oxidized halogen species (chlorine and hypochlorous acid for chloride ion; bromide, tribromide ion, and hypobromous acid for bromide ion) are the principle reaction products. With iodide ion, no 1268 nm chemiluminescence was detected. Past studies have shown that iodine and iodate ion are the major end products of this system.

A laser-induced repetitive fast neutron source applied for gold activation analysis

NASA Astrophysics Data System (ADS)

Lee, Sungman; Park, Sangsoon; Lee, Kitae; Cha, Hyungki

2012-12-01

A laser-induced repetitively operated fast neutron source was developed for applications in laser-driven nuclear physics research. The developed neutron source, which has a neutron yield of approximately 4 × 105 n/pulse and can be operated up to a pulse repetition rate of 10 Hz, was applied for a gold activation analysis. Relatively strong delayed gamma spectra of the activated gold were measured at 333 keV and 355 keV, and proved the possibility of the neutron source for activation analyses. In addition, the nuclear reactions responsible for the measured gamma spectra of gold were elucidated by the 14 MeV fast neutrons resulting from the D(t,n)He4 nuclear reaction, for which the required tritium originated from the primary fusion reaction, D(d,p)T3.

A laser-induced repetitive fast neutron source applied for gold activation analysis.

PubMed

Lee, Sungman; Park, Sangsoon; Lee, Kitae; Cha, Hyungki

2012-12-01

A laser-induced repetitively operated fast neutron source was developed for applications in laser-driven nuclear physics research. The developed neutron source, which has a neutron yield of approximately 4 × 10(5) n/pulse and can be operated up to a pulse repetition rate of 10 Hz, was applied for a gold activation analysis. Relatively strong delayed gamma spectra of the activated gold were measured at 333 keV and 355 keV, and proved the possibility of the neutron source for activation analyses. In addition, the nuclear reactions responsible for the measured gamma spectra of gold were elucidated by the 14 MeV fast neutrons resulting from the D(t,n)He(4) nuclear reaction, for which the required tritium originated from the primary fusion reaction, D(d,p)T(3).

Radiolabeling of a cyclic RGD (cyclo Arg-Gly-Asp-d-Tyr-Lys) peptide using sodium hypochlorite as an oxidizing agent.

PubMed

Doll, Stephanie; Woolum, Karen; Kumar, Krishan

2016-09-01

A simple and rapid nonradioactive iodide labeling/radiolabeling method for peptides, using an inexpensive oxidizing agent such as sodium hypochlorite and a cyclic peptide, cRGDyK (cyclo Arg-Gly-Asp-d-Tyr-Lys), was developed in this work. Labeling reaction was optimized by conducting experiments under variable ratios of the reagents, the reaction times, and the pH. The study demonstrated that radiolabeling of the cyclic peptide was fast and pH independent. Monoiodinated and di-iodinated cRGDyK were formed under all conditions and varied with the ratio of the reagents and the reaction time. Total percent of the iodinated cRGDyK (monoiodinated and di-iodinated cRGDyK) varied between 44 and 100 depending on the reaction conditions. Excess cyclic peptide over equal molar ratio of sodium iodide and sodium hypochlorite yielded in predominant amounts of monoiodinated cRGDyK, ie, >60% under 2:1:1 ratio and ~88% under 5:1:1 ratio of cRGDyK:sodium iodide:sodium hypochlorite. Copyright © 2016 John Wiley & Sons, Ltd.

Precursor Ion Scan Mode-Based Strategy for Fast Screening of Polyether Ionophores by Copper-Induced Gas-Phase Radical Fragmentation Reactions.

PubMed

Crevelin, Eduardo J; Possato, Bruna; Lopes, João L C; Lopes, Norberto P; Crotti, Antônio E M

2017-04-04

The potential of copper(II) to induce gas-phase fragmentation reactions in macrotetrolides, a class of polyether ionophores produced by Streptomyces species, was investigated by accurate-mass electrospray tandem mass spectrometry (ESI-MS/MS). Copper(II)/copper(I) transition directly induced production of diagnostic acylium ions with m/z 199, 185, 181, and 167 from α-cleavages of [macrotetrolides + Cu] 2+ . A UPLC-ESI-MS/MS methodology based on the precursor ion scan of these acylium ions was developed and successfully used to identify isodinactin (1), trinactin (2), and tetranactin (3) in a crude extract of Streptomyces sp. AMC 23 in the precursor ion scan mode. In addition, copper(II) was also used to induce radical fragmentation reactions in the carboxylic acid polyether ionophore nigericin. The resulting product ions with m/z 755 and 585 helped to identify nigericin in a crude extract of Streptomyces sp. Eucal-26 by means of precursor ion scan experiments, demonstrating that copper-induced fragmentation reactions can potentially identify different classes of polyether ionophores rapidly and selectively.

Cross Section Measurement for the 95Mo(n, {alpha})92Zr Reaction at 4.0, 5.0 and 6.0 MeV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Guohui; Wu, Hao; Zhang, Jiaguo

2011-01-01

For the {sup 95}Mo(n, {alpha}){sup 92}Zr reaction cross section, there is only one experimental datum in the MeV neutron energy region with large uncertainty. As a result, very large deviations exist in different evaluated nuclear data libraries. This paper report the measurement of cross sections of the {sup 95}Mo(n, {alpha}){sup 92}Zr reaction at En = 4.0, 5.0 and 6.0 MeV. Experiments were performed at the 4.5 MV Van de Graaff of Peking University, China. A twin gridded ionization chamber was used as alpha particle detector and two large area {sup 95}Mo samples placed back to back were adopted. Fast neutronsmore » were produced through the D(d, n){sup 3}He reaction by using a deuterium gas target. A small {sup 238}U fission chamber was adopted for absolute neutron flux determination and a BF{sub 3} long counter was used for neutron flux monitor. Present experimental data are compared with existing evaluations and measurement.« less

Ab initio molecular dynamics simulations of the initial stages of solid-electrolyte interphase formation on lithium ion battery graphitic anodes.

PubMed

Leung, Kevin; Budzien, Joanne L

2010-07-07

The decomposition of ethylene carbonate (EC) during the initial growth of solid-electrolyte interphase (SEI) films at the solvent-graphitic anode interface is critical to lithium ion battery operations. Ab initio molecular dynamics simulations of explicit liquid EC/graphite interfaces are conducted to study these electrochemical reactions. We show that carbon edge terminations are crucial at this stage, and that achievable experimental conditions can lead to surprisingly fast EC breakdown mechanisms, yielding decomposition products seen in experiments but not previously predicted.

γ{\\hbox-}Flash suppression using a gated photomultiplier assembled with an LaBr3(Ce) detector to measure fast neutron capture reactions

NASA Astrophysics Data System (ADS)

Hara, K. Y.; Harada, H.; Toh, Y.; Hori, J.

2013-09-01

A gated photomultiplier tube (PMT) assembled with an LaBr3(Ce) detector was applied toward the prompt γ{hbox-}ray measurement of fast neutron capture reactions. Time-of-flight measurements of the neutron capture reactions of Cl and Al were performed using the 46-MeV electron linear accelerator at the Kyoto University Research Reactor Institute (KURRI) as a pulsed neutron source. The photomultiplier gating technique effectively suppressed the saturation of the PMT output and extended the energy region of the TOF measurement.

Dynamical resonances in the fluorine atom reaction with the hydrogen molecule.

PubMed

Yang, Xueming; Zhang, Dong H

2008-08-01

[Reaction: see text]. The concept of transition state has played a crucial role in the field of chemical kinetics and reaction dynamics. Resonances in the transition state region are important in many chemical reactions at reaction energies near the thresholds. Detecting and characterizing isolated reaction resonances, however, have been a major challenge in both experiment and theory. In this Account, we review the most recent developments in the study of reaction resonances in the benchmark F + H 2 --> HF + H reaction. Crossed molecular beam scattering experiments on the F + H 2 reaction have been carried out recently using the high-resolution, highly sensitive H-atom Rydberg tagging technique with HF rovibrational states almost fully resolved. Pronounced forward scattering for the HF (nu' = 2) product has been observed at the collision energy of 0.52 kcal/mol in the F + H 2 (j = 0) reaction. Quantum dynamical calculations based on two new potential energy surfaces, the Xu-Xie-Zhang (XXZ) surface and the Fu-Xu-Zhang (FXZ) surface, show that the observed forward scattering of HF (nu' = 2) in the F + H 2 reaction is caused by two Feshbach resonances (the ground resonance and first excited resonance). More interestingly, the pronounced forward scattering of HF (nu' = 2) at 0.52 kcal/mol is enhanced considerably by the constructive interference between the two resonances. In order to probe the resonance potential more accurately, the isotope substituted F + HD --> HF + D reaction has been studied using the D-atom Rydberg tagging technique. A remarkable and fast changing dynamical picture has been mapped out in the collision energy range of 0.3-1.2 kcal/mol for this reaction. Quantum dynamical calculations based on the XXZ surface suggest that the ground resonance on this potential is too high in comparison with the experimental results of the F + HD reaction. However, quantum scattering calculations on the FXZ surface can reproduce nearly quantitatively the resonance picture of the F + HD reaction observed in the experiment. It is clear that the dynamics of the F + HD reaction below the threshold was dominated by the ground resonance state. Furthermore, the forward scattering HF (nu' = 3) channel from the F + H 2 ( j = 0) reaction was investigated and was attributed mainly to a slow-down mechanism over the centrifugal exit barrier, with small contributions from a shape resonance mechanism in a narrow collision energy range. A striking effect of the reagent rotational excitation on resonance was also observed in F + H 2 ( j = 1), in comparison with F + H 2 ( j = 0). From these concerted experimental and theoretical studies, a clear physical picture of the reaction resonances in this benchmark reaction has emerged, providing a textbook example of dynamical resonances in elementary chemical reactions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wolverton, Christopher; Ozolins, Vidvuds; Kung, Harold H.

The objective of the proposed program is to discover novel mixed hydrides for hydrogen storage, which enable the DOE 2010 system-level goals. Our goal is to find a material that desorbs 8.5 wt.% H 2 or more at temperatures below 85°C. The research program will combine first-principles calculations of reaction thermodynamics and kinetics with material and catalyst synthesis, testing, and characterization. We will combine materials from distinct categories (e.g., chemical and complex hydrides) to form novel multicomponent reactions. Systems to be studied include mixtures of complex hydrides and chemical hydrides [e.g. LiNH 2+NH 3BH 3] and nitrogen-hydrogen based borohydrides [e.g.more » Al(BH 4) 3(NH 3) 3]. The 2010 and 2015 FreedomCAR/DOE targets for hydrogen storage systems are very challenging, and cannot be met with existing materials. The vast majority of the work to date has delineated materials into various classes, e.g., complex and metal hydrides, chemical hydrides, and sorbents. However, very recent studies indicate that mixtures of storage materials, particularly mixtures between various classes, hold promise to achieve technological attributes that materials within an individual class cannot reach. Our project involves a systematic, rational approach to designing novel multicomponent mixtures of materials with fast hydrogenation/dehydrogenation kinetics and favorable thermodynamics using a combination of state-of-the-art scientific computing and experimentation. We will use the accurate predictive power of first-principles modeling to understand the thermodynamic and microscopic kinetic processes involved in hydrogen release and uptake and to design new material/catalyst systems with improved properties. Detailed characterization and atomic-scale catalysis experiments will elucidate the effect of dopants and nanoscale catalysts in achieving fast kinetics and reversibility. And, state-of-the-art storage experiments will give key storage attributes of the investigated reactions, validate computational predictions, and help guide and improve computational methods. In sum, our approach involves a powerful blend of: 1) H2 Storage measurements and characterization, 2) State-of-the-art computational modeling, 3) Detailed catalysis experiments, 4) In-depth automotive perspective.« less

When fellow customers behave badly: Witness reactions to employee mistreatment by customers.

PubMed

Hershcovis, M Sandy; Bhatnagar, Namita

2017-11-01

In 3 experiments, we examined how customers react after witnessing a fellow customer mistreat an employee. Drawing on the deontic model of justice, we argue that customer mistreatment of employees leads witnesses (i.e., other customers) to leave larger tips, engage in supportive employee-directed behaviors, and evaluate employees more positively (Studies 1 and 2). We also theorize that witnesses develop less positive treatment intentions and more negative retaliatory intentions toward perpetrators, with anger and empathy acting as parallel mediators of our perpetrator- and target-directed outcomes, respectively. In Study 1, we conducted a field experiment that examined real customers' target-directed reactions to witnessed mistreatment in the context of a fast-food restaurant. In Study 2, we replicated Study 1 findings in an online vignette experiment, and extended it by examining more severe mistreatment and perpetrator-directed responses. In Study 3, we demonstrated that employees who respond to mistreatment uncivilly are significantly less likely to receive the positive outcomes found in Studies 1 and 2 than those who respond neutrally. We discuss the implications of our findings for theory and practice. (PsycINFO Database Record (c) 2017 APA, all rights reserved).

Fertilizers mobilization in alluvial aquifer: laboratory experiments

NASA Astrophysics Data System (ADS)

Mastrocicco, M.; Colombani, N.; Palpacelli, S.

2009-02-01

In alluvial plains, intensive farming with conspicuous use of agrochemicals, can cause land pollution and groundwater contamination. In central Po River plain, paleo-channels are important links between arable lands and the underlaying aquifer, since the latter is often confined by clay sediments that act as a barrier against contaminants migration. Therefore, paleo-channels are recharge zones of particular interest that have to be protected from pollution as they are commonly used for water supply. This paper focuses on fertilizer mobilization next to a sand pit excavated in a paleo-channel near Ferrara (Italy). The problem is approached via batch test leaking and columns elution of alluvial sediments. Results from batch experiments showed fast increase in all major cations and anions, suggesting equilibrium control of dissolution reactions, limited availability of solid phases and geochemical homogeneity of samples. In column experiments, early elution and tailing of all ions breakthrough was recorded due to preferential flow paths. For sediments investigated in this study, dispersion, dilution and chemical reactions can reduce fertilizers at concentration below drinking standards in a reasonable time frame, provided fertilizer loading is halted or, at least, reduced. Thus, the definition of a corridor along paleo-channels is recommended to preserve groundwater quality.

STS-107 Crew Interviews: Rick D. Husband, Commander

NASA Technical Reports Server (NTRS)

2002-01-01

STS-107 Commander Rick Husband is seen during this preflight interview, where he gives a quick overview of the mission before answering questions about his inspiration to become an astronaut and his career path. Husband outlines what his role in the mission will be, what training the crew received, what crew member responsibilities will be, particularly during launch and reentry, what day to day life will be like on an extended duration mission, and what science experiments are going to be conducted onboard. He discusses the following science experiments and instruments in detail: MEIDEX (Mediterranean Israeli Dust Experiment), SOLSE (Shuttle Ozone Limb Sounding Experiment, FREESTAR (Fast Reaction Enabling Science Technology and Research) and various student projects. Husband also touches on the importance of space research, the value of international cooperation, the reason for dual crew shifts on the mission and the role of crew members as research subjects.

Modeling and testing of reactive contaminant transport in drinking water pipes: chlorine response and implications for online contaminant detection.

PubMed

Jeffrey Yang, Y; Goodrich, James A; Clark, Robert M; Li, Sylvana Y

2008-03-01

A modified one-dimensional Danckwerts convection-dispersion-reaction (CDR) model is numerically simulated to explain the observed chlorine residual loss for a "slug" of reactive contaminants instantaneously introduced into a drinking water pipe of assumed no or negligible wall demand. In response to longitudinal dispersion, a contaminant propagates into the bulk phase where it reacts with disinfectants in the water. This process generates a U-shaped pattern of chlorine residual loss in a time-series concentration plot. Numerical modeling indicates that the residual loss curve geometry (i.e., slope, depth, and width) is a function of several variables such as axial Péclet number, reaction rate constants, molar fraction of the fast- and slow-reacting contaminants, and the quasi-steady-state chlorine decay inside the "slug" which serves as a boundary condition of the CDR model. Longitudinal dispersion becomes dominant for less reactive contaminants. Pilot-scale pipe flow experiments for a non-reactive sodium fluoride tracer and the fast-reacting aldicarb, a pesticide, were conducted under turbulent flow conditions (Re=9020 and 25,000). Both the experimental results and the CDR modeling are in agreement showing a close relationship among the aldicarb contaminant "slug", chlorine residual loss and its variations, and a concentration increase of chloride as the final reaction product. Based on these findings, the residual loss curve and its geometry are useful tools to identify the presence of a contaminant "slug" and infer its reactive properties in adaptive contaminant detections.

Quantum mechanical study of solvent effects in a prototype S{sub N}2 reaction in solution: Cl{sup −} attack on CH{sub 3}Cl

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuechler, Erich R.; Department of Chemistry, University of Minnesota, Minneapolis, Minnesota 55455-0431; York, Darrin M., E-mail: york@biomaps.rutgers.edu

2014-02-07

The nucleophilic attack of a chloride ion on methyl chloride is an important prototype S{sub N}2 reaction in organic chemistry that is known to be sensitive to the effects of the surrounding solvent. Herein, we develop a highly accurate Specific Reaction Parameter (SRP) model based on the Austin Model 1 Hamiltonian for chlorine to study the effects of solvation into an aqueous environment on the reaction mechanism. To accomplish this task, we apply high-level quantum mechanical calculations to study the reaction in the gas phase and combined quantum mechanical/molecular mechanical simulations with TIP3P and TIP4P-ew water models and the resultingmore » free energy profiles are compared with those determined from simulations using other fast semi-empirical quantum models. Both gas phase and solution results with the SRP model agree very well with experiment and provide insight into the specific role of solvent on the reaction coordinate. Overall, the newly parameterized SRP Hamiltonian is able to reproduce both the gas phase and solution phase barriers, suggesting it is an accurate and robust model for simulations in the aqueous phase at greatly reduced computational cost relative to comparably accurate ab initio and density functional models.« less

Quantum mechanical study of solvent effects in a prototype SN2 reaction in solution: Cl- attack on CH3Cl

NASA Astrophysics Data System (ADS)

Kuechler, Erich R.; York, Darrin M.

2014-02-01

The nucleophilic attack of a chloride ion on methyl chloride is an important prototype SN2 reaction in organic chemistry that is known to be sensitive to the effects of the surrounding solvent. Herein, we develop a highly accurate Specific Reaction Parameter (SRP) model based on the Austin Model 1 Hamiltonian for chlorine to study the effects of solvation into an aqueous environment on the reaction mechanism. To accomplish this task, we apply high-level quantum mechanical calculations to study the reaction in the gas phase and combined quantum mechanical/molecular mechanical simulations with TIP3P and TIP4P-ew water models and the resulting free energy profiles are compared with those determined from simulations using other fast semi-empirical quantum models. Both gas phase and solution results with the SRP model agree very well with experiment and provide insight into the specific role of solvent on the reaction coordinate. Overall, the newly parameterized SRP Hamiltonian is able to reproduce both the gas phase and solution phase barriers, suggesting it is an accurate and robust model for simulations in the aqueous phase at greatly reduced computational cost relative to comparably accurate ab initio and density functional models.

Quantum mechanical study of solvent effects in a prototype SN2 reaction in solution: Cl- attack on CH3Cl.

PubMed

Kuechler, Erich R; York, Darrin M

2014-02-07

The nucleophilic attack of a chloride ion on methyl chloride is an important prototype SN2 reaction in organic chemistry that is known to be sensitive to the effects of the surrounding solvent. Herein, we develop a highly accurate Specific Reaction Parameter (SRP) model based on the Austin Model 1 Hamiltonian for chlorine to study the effects of solvation into an aqueous environment on the reaction mechanism. To accomplish this task, we apply high-level quantum mechanical calculations to study the reaction in the gas phase and combined quantum mechanical/molecular mechanical simulations with TIP3P and TIP4P-ew water models and the resulting free energy profiles are compared with those determined from simulations using other fast semi-empirical quantum models. Both gas phase and solution results with the SRP model agree very well with experiment and provide insight into the specific role of solvent on the reaction coordinate. Overall, the newly parameterized SRP Hamiltonian is able to reproduce both the gas phase and solution phase barriers, suggesting it is an accurate and robust model for simulations in the aqueous phase at greatly reduced computational cost relative to comparably accurate ab initio and density functional models.

The Self-sustained High temperature Synthesis (SHS) technology as novel approach in the management of asbestos waste.

PubMed

Gaggero, Laura; Ferretti, Maurizio

2018-06-15

The SHS technique was experimented in chrysotile breakdown. By means of two reactions such as Mg 3 Si 2 O 5 (OH) 4  + Fe 2 O 3  + 3 Mg and 2Mg 3 Si 2 O 5 (OH) 4  + Fe 3 O 4  + 4 Mg the chrysotile was completely converted into forsterite-rich olivine. Different mixtures of hematite + Mg and magnetite + Mg were tested with chrysotile to establish the maximum chrysotile amount in order to allow the reaction. In comparison with conventional thermal treatments, the SHS process is characterized by a fast reaction, needs low activation energy and the apparatus is simple. For these reasons, the asbestos neutralisation is carried out with positive balance of time and costs of the process. Furthermore, the combustion product can be re-used as secondary material. Copyright © 2017 Elsevier Ltd. All rights reserved.

Agile green process design for the intensified Kolbe-Schmitt synthesis by accompanying (simplified) life cycle assessment.

PubMed

Kressirer, Sabine; Kralisch, Dana; Stark, Annegret; Krtschil, Ulrich; Hessel, Volker

2013-05-21

In order to investigate the potential for process intensification, various reaction conditions were applied to the Kolbe-Schmitt synthesis starting from resorcinol. Different CO₂ precursors such as aqueous potassium hydrogencarbonate, hydrogencarbonate-based ionic liquids, DIMCARB, or sc-CO₂, the application of microwave irradiation for fast volumetric heating of the reaction mixture, and the effect of harsh reaction conditions were investigated. The experiments, carried out in conventional batch-wise as well as in continuously operated microstructured reactors, aimed at the development of an environmentally benign process for the preparation of 2,4-dihydroxybenzoic acid. To provide decision support toward a green process design, a research-accompanying simplified life cycle assessment (SLCA) was performed throughout the whole investigation. Following this approach, it was found that convective heating methods such as oil bath or electrical heating were more beneficial than the application of microwave irradiation. Furthermore, the consideration of workup procedures was crucial for a holistic view on the environmental burdens.

Identification of a recently active Prunus-specific non-autonomous Mutator element with considerable genome shaping force.

PubMed

Halász, Júlia; Kodad, Ossama; Hegedűs, Attila

2014-07-01

Miniature inverted-repeat transposable elements (MITEs) are known to contribute to the evolution of plants, but only limited information is available for MITEs in the Prunus genome. We identified a MITE that has been named Falling Stones, FaSt. All structural features (349-bp size, 82-bp terminal inverted repeats and 9-bp target site duplications) are consistent with this MITE being a putative member of the Mutator transposase superfamily. FaSt showed a preferential accumulation in the short AT-rich segments of the euchromatin region of the peach genome. DNA sequencing and pollination experiments have been performed to confirm that the nested insertion of FaSt into the S-haplotype-specific F-box gene of apricot resulted in the breakdown of self-incompatibility (SI). A bioinformatics-based survey of the known Rosaceae and other genomes and a newly designed polymerase chain reaction (PCR) assay verified the Prunoideae-specific occurrence of FaSt elements. Phylogenetic analysis suggested a recent activity of FaSt in the Prunus genome. The occurrence of a nested insertion in the apricot genome further supports the recent activity of FaSt in response to abiotic stress conditions. This study reports on a presumably active non-autonomous Mutator element in Prunus that exhibits a major indirect genome shaping force through inducing loss-of-function mutation in the SI locus. © 2014 The Authors The Plant Journal © 2014 John Wiley & Sons Ltd.

STS-107 Crew Interviews: Ilan Ramon, Mission Specialist

NASA Technical Reports Server (NTRS)

2002-01-01

STS-107 Mission Specialist Ilan Ramon is seen during this preflight interview, where he gives a quick overview of the mission before answering questions about his inspiration to become an astronaut and his career path. He outlines his role in the mission in general, and specifically in conducting on-board science experiments. He discusses the following instruments and sets of experiments in detail: CM2 (Combustion Module 2), FREESTAR (Fast Reaction Enabling Science Technology and Research), MEIDEX (Mediterranean Israeli Dust Experiment) and MGM (Mechanics of Granular Materials). Ramon also mentions on-board activities during launch and reentry, mission training and microgravity research. In addition, he touches on the dual work-shift nature of the mission, the use of crew members as research subjects including pre and postflight monitoring activities, the emphasis on crew safety during training and the value of international cooperation.

Using radio astronomical receivers for molecular spectroscopic characterization in astrochemical laboratory simulations: A proof of concept.

PubMed

Tanarro, I; Alemán, B; de Vicente, P; Gallego, J D; Pardo, J R; Santoro, G; Lauwaet, K; Tercero, F; Díaz-Pulido, A; Moreno, E; Agúndez, M; Goicoechea, J R; Sobrado, J M; López, J A; Martínez, L; Doménech, J L; Herrero, V J; Hernández, J M; Peláez, R J; López-Pérez, J A; Gómez-González, J; Alonso, J L; Jiménez, E; Teyssier, D; Makasheva, K; Castellanos, M; Joblin, C; Martín-Gago, J A; Cernicharo, J

2018-01-01

We present a proof of concept on the coupling of radio astronomical receivers and spectrometers with chemical reactors and the performances of the resulting setup for spectroscopy and chemical simulations in laboratory astrophysics. Several experiments including cold plasma generation and UV photochemistry were performed in a 40 cm long gas cell placed in the beam path of the Aries 40 m radio telescope receivers operating in the 41-49 GHz frequency range interfaced with fast Fourier transform spectrometers providing 2 GHz bandwidth and 38 kHz resolution. The impedance matching of the cell windows has been studied using different materials. The choice of the material and its thickness was critical to obtain a sensitivity identical to that of standard radio astronomical observations. Spectroscopic signals arising from very low partial pressures of CH 3 OH, CH 3 CH 2 OH, HCOOH, OCS, CS, SO 2 (<10 -3 mbar) were detected in a few seconds. Fast data acquisition was achieved allowing for kinetic measurements in fragmentation experiments using electron impact or UV irradiation. Time evolution of chemical reactions involving OCS, O 2 and CS 2 was also observed demonstrating that reactive species, such as CS, can be maintained with high abundance in the gas phase during these experiments.

Using radio astronomical receivers for molecular spectroscopic characterization in astrochemical laboratory simulations: A proof of concept

NASA Astrophysics Data System (ADS)

Tanarro, I.; Alemán, B.; de Vicente, P.; Gallego, J. D.; Pardo, J. R.; Santoro, G.; Lauwaet, K.; Tercero, F.; Díaz-Pulido, A.; Moreno, E.; Agúndez, M.; Goicoechea, J. R.; Sobrado, J. M.; López, J. A.; Martínez, L.; Doménech, J. L.; Herrero, V. J.; Hernández, J. M.; Peláez, R. J.; López-Pérez, J. A.; Gómez-González, J.; Alonso, J. L.; Jiménez, E.; Teyssier, D.; Makasheva, K.; Castellanos, M.; Joblin, C.; Martín-Gago, J. A.; Cernicharo, J.

2018-01-01

We present a proof of concept on the coupling of radio astronomical receivers and spectrometers with chemical reactors and the performances of the resulting setup for spectroscopy and chemical simulations in laboratory astrophysics. Several experiments including cold plasma generation and UV photochemistry were performed in a 40 cm long gas cell placed in the beam path of the Aries 40 m radio telescope receivers operating in the 41-49 GHz frequency range interfaced with fast Fourier transform spectrometers providing 2 GHz bandwidth and 38 kHz resolution. The impedance matching of the cell windows has been studied using different materials. The choice of the material and its thickness was critical to obtain a sensitivity identical to that of standard radio astronomical observations. Spectroscopic signals arising from very low partial pressures of CH3OH, CH3CH2OH, HCOOH, OCS, CS, SO2 (<10-3 mbar) were detected in a few seconds. Fast data acquisition was achieved allowing for kinetic measurements in fragmentation experiments using electron impact or UV irradiation. Time evolution of chemical reactions involving OCS, O2 and CS2 was also observed demonstrating that reactive species, such as CS, can be maintained with high abundance in the gas phase during these experiments. Movies are available at http://www.aanda.org

Using radio astronomical receivers for molecular spectroscopic characterization in astrochemical laboratory simulations: A proof of concept

PubMed Central

Tanarro, I.; Alemán, B.; de Vicente, P.; Gallego, J.D.; Pardo, J.R.; Santoro, G.; Lauwaet, K.; Tercero, F.; Díaz-Pulido, A.; Moreno, E.; Agúndez, M.; Goicoechea, J.R.; Sobrado, J.M.; López, J.A.; Martínez, L.; Doménech, J.L.; Herrero, V.J.; Hernández, J.M.; Peláez, R.J.; López-Pérez, J.A.; Gómez-González, J.; Alonso, J.L.; Jiménez, E.; Teyssier, D.; Makasheva, K.; Castellanos, M.; Joblin, C.; Martín-Gago, J.A.; Cernicharo, J.

2017-01-01

We present a proof of concept on the coupling of radio astronomical receivers and spectrometers with chemical reactors and the performances of the resulting setup for spectroscopy and chemical simulations in laboratory astrophysics. Several experiments including cold plasma generation and UV photochemistry were performed in a 40 cm long gas cell placed in the beam path of the Aries 40 m radio telescope receivers operating in the 41-49 GHz frequency range interfaced with fast Fourier transform spectrometers providing 2 GHz bandwidth and 38 kHz resolution. The impedance matching of the cell windows has been studied using different materials. The choice of the material and its thickness was critical to obtain a sensitivity identical to that of standard radio astronomical observations. Spectroscopic signals arising from very low partial pressures of CH3OH, CH3CH2OH, HCOOH, OCS, CS, SO2 (<10−3 mbar) were detected in a few seconds. Fast data acquisition was achieved allowing for kinetic measurements in fragmentation experiments using electron impact or UV irradiation. Time evolution of chemical reactions involving OCS, O2 and CS2 was also observed demonstrating that reactive species, such as CS, can be maintained with high abundance in the gas phase during these experiments. PMID:29277841

KSC-03pd0122

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- As billows of smoke and steam roll across the landscape, the fiery launch of Space Shuttle Columbia on mission STS-107 is reflected in nearby water. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Landing is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

KSC-03pd0120

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- Silhouetted against the blue Atlantic Ocean, Space Shuttle Columbia breaks free of the launch pad as it roars toward space on mission STS-107. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Landing is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

KSC-03pd0121

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- A twisting column of smoke points the way to Space Shuttle Columbia at its tip as the Shuttle hurtles toward space on mission STS-107. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Landing is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

KSC-03pd0129

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- Pulling free of Earth's gravity, and leaving a trail of smoke behind, Space Shuttle Columbia roars toward space on mission STS-107. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences.. Landing of Columbia is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

KSC-03pd0134

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- Space Shuttle Columbia seems to leap from amid the trees as it roars toward space on mission STS-107. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences.. Landing of Columbia is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program. [Photo courtesy of Scott Andrews

KSC-03pp0142

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. - A closeup camera view shows Space Shuttle Columbia as it lifts off from Launch Pad 39A on mission STS-107. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission includes FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences.. Landing of Columbia is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

KSC-03pd0125

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. - All eyes in the VIP stand at KSC focus on Space Shuttle Columbia as it roars toward space on mission STS-107. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences.. Landing of Columbia is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

KSC-03pd0111

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- Photographers and spectators watch from across the turn basin as Space Shuttle Columbia begins a perfect launch from Pad 39A following a flawless and uneventful countdown. Liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Landing is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

KSC-03pd0130

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- Space Shuttle Columbia seems to leap from amid the trees as it roars toward space on mission STS-107. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences.. Landing of Columbia is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

KSC-03pd0118

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. - Competing with the brilliant blue sky, flames behind Space Shuttle Columbia trail a column of smoke as the Shuttle hurtles toward space on mission STS-107. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Landing is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

KSC-03pp0139

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. - Space Shuttle Columbia leaps off Launch Pad 39A and the clouds of smoke and steam as it races toward space on mission STS-107. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission includes FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences.. Landing of Columbia is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

KSC-03pd0123

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- A twisting column of smoke points the way to Space Shuttle Columbia at its tip as the Shuttle hurtles toward space on mission STS-107. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Landing is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

KSC-03pd0113

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. - Through a cloud-washed blue sky above Launch Pad 39A, Space Shuttle Columbia hurtles toward space on mission STS-107. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Landing is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

New Developments in Proton Radiography at the Los Alamos Neutron Science Center (LANSCE)

DOE PAGES

Morris, C. L.; Brown, E. N.; Agee, C.; ...

2015-12-30

An application of nuclear physics, a facility for using protons for flash radiography, was developed at the Los Alamos Neutron Science Center (LANSCE). Protons have proven far superior to high energy x-rays for flash radiography because of their long mean free path, good position resolution, and low scatter background. Although this facility is primarily used for studying very fast phenomena such as high explosive driven experiments, it is finding increasing application to other fields, such as tomography of static objects, phase changes in materials and the dynamics of chemical reactions. The advantages of protons are discussed, data from some recentmore » experiments will be reviewed and concepts for new techniques are introduced.« less

KSC-03pp0143

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. --Framed by branches across from Launch Pad 39A, Space Shuttle Columbia leaps toward space on mission STS-107. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission includes FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences.. Landing of Columbia is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

KSC-03pp0141

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. - Viewed from among branches across from Launch Pad 39A, Space Shuttle Columbia leaps toward space on mission STS-107. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission includes FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences.. Landing of Columbia is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

Reduced linear noise approximation for biochemical reaction networks with time-scale separation: The stochastic tQSSA+

NASA Astrophysics Data System (ADS)

Herath, Narmada; Del Vecchio, Domitilla

2018-03-01

Biochemical reaction networks often involve reactions that take place on different time scales, giving rise to "slow" and "fast" system variables. This property is widely used in the analysis of systems to obtain dynamical models with reduced dimensions. In this paper, we consider stochastic dynamics of biochemical reaction networks modeled using the Linear Noise Approximation (LNA). Under time-scale separation conditions, we obtain a reduced-order LNA that approximates both the slow and fast variables in the system. We mathematically prove that the first and second moments of this reduced-order model converge to those of the full system as the time-scale separation becomes large. These mathematical results, in particular, provide a rigorous justification to the accuracy of LNA models derived using the stochastic total quasi-steady state approximation (tQSSA). Since, in contrast to the stochastic tQSSA, our reduced-order model also provides approximations for the fast variable stochastic properties, we term our method the "stochastic tQSSA+". Finally, we demonstrate the application of our approach on two biochemical network motifs found in gene-regulatory and signal transduction networks.

The boundary structure in the analysis of reversibly interacting systems by sedimentation velocity.

PubMed

Zhao, Huaying; Balbo, Andrea; Brown, Patrick H; Schuck, Peter

2011-05-01

Sedimentation velocity (SV) experiments of heterogeneous interacting systems exhibit characteristic boundary structures that can usually be very easily recognized and quantified. For slowly interacting systems, the boundaries represent concentrations of macromolecular species sedimenting at different rates, and they can be interpreted directly with population models based solely on the mass action law. For fast reactions, migration and chemical reactions are coupled, and different, but equally easily discernable boundary structures appear. However, these features have not been commonly utilized for data analysis, for the lack of an intuitive and computationally simple model. The recently introduced effective particle theory (EPT) provides a suitable framework. Here, we review the motivation and theoretical basis of EPT, and explore practical aspects for its application. We introduce an EPT-based design tool for SV experiments of heterogeneous interactions in the software SEDPHAT. As a practical tool for the first step of data analysis, we describe how the boundary resolution of the sedimentation coefficient distribution c(s) can be further improved with a Bayesian adjustment of maximum entropy regularization to the case of heterogeneous interactions between molecules that have been previously studied separately. This can facilitate extracting the characteristic boundary features by integration of c(s). In a second step, these are assembled into isotherms as a function of total loading concentrations and fitted with EPT. Methods for addressing concentration errors in isotherms are discussed. Finally, in an experimental model system of alpha-chymotrypsin interacting with soybean trypsin inhibitor, we show that EPT provides an excellent description of the experimental sedimentation boundary structure of fast interacting systems. Published by Elsevier Inc.

Intermittent fasting: A “new” historical strategy for controlling seizures?

PubMed Central

Hartman, Adam L.; Rubenstein, James E.; Kossoff, Eric H.

2013-01-01

Summary In antiquity, fasting was a treatment for epilepsy and a rationale for the ketogenic diet (KD). Preclinical data indicate the KD and intermittent fasting do not share identical anticonvulsant mechanisms. We implemented an intermittent fasting regimen in six children with an incomplete response to a KD. Three patients adhered to the combined intermittent fasting/KD regimen for 2 months and four had transient improvement in seizure control, albeit with some hunger-related adverse reactions. PMID:23206889

Absolute calibration of neutron detectors on the C-2U advanced beam-driven FRC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Magee, R. M., E-mail: rmagee@trialphaenergy.com; Clary, R.; Korepanov, S.

2016-11-15

In the C-2U fusion energy experiment, high power neutral beam injection creates a large fast ion population that sustains a field-reversed configuration (FRC) plasma. The diagnosis of the fast ion pressure in these high-performance plasmas is therefore critical, and the measurement of the flux of neutrons from the deuterium-deuterium (D-D) fusion reaction is well suited to the task. Here we describe the absolute, in situ calibration of scintillation neutron detectors via two independent methods: firing deuterium beams into a high density gas target and calibration with a 2 × 10{sup 7} n/s AmBe source. The practical issues of each methodmore » are discussed and the resulting calibration factors are shown to be in good agreement. Finally, the calibration factor is applied to C-2U experimental data where the measured neutron rate is found to exceed the classical expectation.« less

Morphometric analysis of rat muscle fibers following space flight and hypogravity

NASA Technical Reports Server (NTRS)

Chui, L. A.; Castleman, K. R.

1982-01-01

The effect of hypogravity on striate muscles, containing both fast twitch glycolytic and slow twitch oxidative fibers, was studied in rats aboard two Cosmos biosatellites. Results of a computer-assisted image analysis of extensor digitorum muscles from five rats, exposed to 18.5 days of hypogravity and processed for the alkaline ATPase reaction, showed a reduction of the mean fiber diameter (41.32 + or - 0.55 microns), compared to synchronous (46.32 + or - 0.55 microns) and vivarium (49 + or - 0.5 microns) controls. A further experiment studied the ratio of fast to slow twitch fibers in 25 rats exposed to 18.5 days of hypogravity and analyzed at four different periods of recovery following the space flight. Using the previous techniques, the gastrocnemius muscle showed a reduction of the total muscle fiber area in square microns and a reduction in the percentage of slow fibers of flight animals compared to the control animals.

Generation of 238U Covariance Matrices by Using the Integral Data Assimilation Technique of the CONRAD Code

NASA Astrophysics Data System (ADS)

Privas, E.; Archier, P.; Bernard, D.; De Saint Jean, C.; Destouche, C.; Leconte, P.; Noguère, G.; Peneliau, Y.; Capote, R.

2016-02-01

A new IAEA Coordinated Research Project (CRP) aims to test, validate and improve the IRDF library. Among the isotopes of interest, the modelisation of the 238U capture and fission cross sections represents a challenging task. A new description of the 238U neutrons induced reactions in the fast energy range is within progress in the frame of an IAEA evaluation consortium. The Nuclear Data group of Cadarache participates in this effort utilizing the 238U spectral indices measurements and Post Irradiated Experiments (PIE) carried out in the fast reactors MASURCA (CEA Cadarache) and PHENIX (CEA Marcoule). Such a collection of experimental results provides reliable integral information on the (n,γ) and (n,f) cross sections. This paper presents the Integral Data Assimilation (IDA) technique of the CONRAD code used to propagate the uncertainties of the integral data on the 238U cross sections of interest for dosimetry applications.

Absolute calibration of neutron detectors on the C-2U advanced beam-driven FRC.

PubMed

Magee, R M; Clary, R; Korepanov, S; Jauregui, F; Allfrey, I; Garate, E; Valentine, T; Smirnov, A

2016-11-01

In the C-2U fusion energy experiment, high power neutral beam injection creates a large fast ion population that sustains a field-reversed configuration (FRC) plasma. The diagnosis of the fast ion pressure in these high-performance plasmas is therefore critical, and the measurement of the flux of neutrons from the deuterium-deuterium (D-D) fusion reaction is well suited to the task. Here we describe the absolute, in situ calibration of scintillation neutron detectors via two independent methods: firing deuterium beams into a high density gas target and calibration with a 2 × 10 7 n/s AmBe source. The practical issues of each method are discussed and the resulting calibration factors are shown to be in good agreement. Finally, the calibration factor is applied to C-2U experimental data where the measured neutron rate is found to exceed the classical expectation.

Kinetics of Reactive Fronts in Porous Media: quantification through a laboratory experiment

NASA Astrophysics Data System (ADS)

De Anna, P.; Jimenez-Martinez, J.; Turuban, R.; Tabuteau, H.; Derrien, M.; Le Borgne, T.; Meheust, Y.

2013-12-01

The kinetics of reaction fronts in heterogeneous flows is tightly linked to the mixing dynamics governed by the combined action of stretching, diffusion and dispersion. Focusing on porous media flows, with a new experimental setup we show that the invading solute is organized into stretched lamellae, whose deformation and coalescence control the effective reaction kinetics of the mixing limited bimolecular reaction A + B --> C. While the classic advection-dispersion theory predicts a scaling of the cumulative product mass of C as t^(0.5), we observe two distinct kinetics regimes, one characterized by the stretching and the other by the coalescence of the invading lamellae, in which the mass of C scales faster than t^(0.5). The proposed experimental set up allows for direct quantification of mixing and reactive transport in porous media with a high spatial resolution, at the pore scale. The analogous two dimensional porous medium consists in a Hele-Shaw cell containing a single layer of cylindrical solid grains built by soft lithography. On the one hand, the measurement of the local, intra-pore, conservative concentration field is done using a fluorescent tracer. On the other hand, considering a fast bimolecular advection-dispersion reaction A + B --> C occurring as A displaces B, we quantify the reaction kinetics from the spatially-resolved measurement of the pore scale reaction rate, using a chemiluminescent reaction.

Accurate hybrid stochastic simulation of a system of coupled chemical or biochemical reactions.

PubMed

Salis, Howard; Kaznessis, Yiannis

2005-02-01

The dynamical solution of a well-mixed, nonlinear stochastic chemical kinetic system, described by the Master equation, may be exactly computed using the stochastic simulation algorithm. However, because the computational cost scales with the number of reaction occurrences, systems with one or more "fast" reactions become costly to simulate. This paper describes a hybrid stochastic method that partitions the system into subsets of fast and slow reactions, approximates the fast reactions as a continuous Markov process, using a chemical Langevin equation, and accurately describes the slow dynamics using the integral form of the "Next Reaction" variant of the stochastic simulation algorithm. The key innovation of this method is its mechanism of efficiently monitoring the occurrences of slow, discrete events while simultaneously simulating the dynamics of a continuous, stochastic or deterministic process. In addition, by introducing an approximation in which multiple slow reactions may occur within a time step of the numerical integration of the chemical Langevin equation, the hybrid stochastic method performs much faster with only a marginal decrease in accuracy. Multiple examples, including a biological pulse generator and a large-scale system benchmark, are simulated using the exact and proposed hybrid methods as well as, for comparison, a previous hybrid stochastic method. Probability distributions of the solutions are compared and the weak errors of the first two moments are computed. In general, these hybrid methods may be applied to the simulation of the dynamics of a system described by stochastic differential, ordinary differential, and Master equations.

The Validity of Quasi-Steady-State Approximations in Discrete Stochastic Simulations

PubMed Central

Kim, Jae Kyoung; Josić, Krešimir; Bennett, Matthew R.

2014-01-01

In biochemical networks, reactions often occur on disparate timescales and can be characterized as either fast or slow. The quasi-steady-state approximation (QSSA) utilizes timescale separation to project models of biochemical networks onto lower-dimensional slow manifolds. As a result, fast elementary reactions are not modeled explicitly, and their effect is captured by nonelementary reaction-rate functions (e.g., Hill functions). The accuracy of the QSSA applied to deterministic systems depends on how well timescales are separated. Recently, it has been proposed to use the nonelementary rate functions obtained via the deterministic QSSA to define propensity functions in stochastic simulations of biochemical networks. In this approach, termed the stochastic QSSA, fast reactions that are part of nonelementary reactions are not simulated, greatly reducing computation time. However, it is unclear when the stochastic QSSA provides an accurate approximation of the original stochastic simulation. We show that, unlike the deterministic QSSA, the validity of the stochastic QSSA does not follow from timescale separation alone, but also depends on the sensitivity of the nonelementary reaction rate functions to changes in the slow species. The stochastic QSSA becomes more accurate when this sensitivity is small. Different types of QSSAs result in nonelementary functions with different sensitivities, and the total QSSA results in less sensitive functions than the standard or the prefactor QSSA. We prove that, as a result, the stochastic QSSA becomes more accurate when nonelementary reaction functions are obtained using the total QSSA. Our work provides an apparently novel condition for the validity of the QSSA in stochastic simulations of biochemical reaction networks with disparate timescales. PMID:25099817

Ionization signals from diamond detectors in fast-neutron fields

NASA Astrophysics Data System (ADS)

Weiss, C.; Frais-Kölbl, H.; Griesmayer, E.; Kavrigin, P.

2016-09-01

In this paper we introduce a novel analysis technique for measurements with single-crystal chemical vapor deposition (sCVD) diamond detectors in fast-neutron fields. This method exploits the unique electronic property of sCVD diamond sensors that the signal shape of the detector current is directly proportional to the initial ionization profile. In fast-neutron fields the diamond sensor acts simultaneously as target and sensor. The interaction of neutrons with the stable isotopes 12 C and 13 C is of interest for fast-neutron diagnostics. The measured signal shapes of detector current pulses are used to identify individual types of interactions in the diamond with the goal to select neutron-induced reactions in the diamond and to suppress neutron-induced background reactions as well as γ-background. The method is verified with experimental data from a measurement in a 14.3 MeV neutron beam at JRC-IRMM, Geel/Belgium, where the 13C(n, α)10Be reaction was successfully extracted from the dominating background of recoil protons and γ-rays and the energy resolution of the 12C(n, α)9Be reaction was substantially improved. The presented analysis technique is especially relevant for diagnostics in harsh radiation environments, like fission and fusion reactors. It allows to extract the neutron spectrum from the background, and is particularly applicable to neutron flux monitoring and neutron spectroscopy.

Eating on the run. A qualitative study of health agency and eating behaviors among fast food employees.

PubMed

Mulvaney-Day, Norah E; Womack, Catherine A; Oddo, Vanessa M

2012-10-01

Understanding the relationship between obesity and fast food consumption encompasses a broad range of individual level and environmental factors. One theoretical approach, the health capability framework, focuses on the complex set of conditions allowing individuals to be healthy. This qualitative study aimed to identify factors that influence individual level health agency with respect to healthy eating choices in uniformly constrained environments (e.g., fast food restaurants). We used an inductive qualitative research design to develop an interview guide, conduct open-ended interviews with a purposive sample of 14 student fast food workers (aged 18-25), and analyze the data. Data analysis was conducted iteratively during the study with multiple coders to identify themes. Emergent themes included environmental influences on eating behaviors (time, cost, restaurant policies, social networks) and internal psychological factors (feelings associated with hunger, food knowledge versus food preparation know-how, reaction to physical experiences, perceptions of food options, delayed gratification, and radical subjectivity). A localized, embedded approach to analyzing the factors driving the obesity epidemic is needed. Addressing contextual interactions between internal psychological and external environmental factors responds to social justice and public health concerns, and may yield more relevant and effective interventions for vulnerable communities. Copyright © 2012 Elsevier Ltd. All rights reserved.

Mechanism of the reaction, CH4+O(1D2)→CH3+OH, studied by ultrafast and state-resolved photolysis/probe spectroscopy of the CH4ṡO3 van der Waals complex

NASA Astrophysics Data System (ADS)

Miller, C. Cameron; van Zee, Roger D.; Stephenson, John C.

2001-01-01

The mechanism of the reaction CH4+O(1D2)→CH3+OH was investigated by ultrafast, time-resolved and state-resolved experiments. In the ultrafast experiments, short ultraviolet pulses photolyzed ozone in the CH4ṡO3 van der Waals complex to produce O(1D2). The ensuing reaction with CH4 was monitored by measuring the appearance rate of OH(v=0,1;J,Ω,Λ) by laser-induced fluorescence, through the OH A←X transition, using short probe pulses. These spectrally broad pulses, centered between 307 and 316 nm, probe many different OH rovibrational states simultaneously. At each probe wavelength, both a fast and a slow rise time were evident in the fluorescence signal, and the ratio of the fast-to-slow signal varied with probe wavelength. The distribution of OH(v,J,Ω,Λ) states, Pobs(v,J,Ω,Λ), was determined by laser-induced fluorescence using a high-resolution, tunable dye laser. The Pobs(v,J,Ω,Λ) data and the time-resolved data were analyzed under the assumption that different formation times represent different reaction mechanisms and that each mechanism produces a characteristic rovibrational distribution. The state-resolved and the time-resolved data can be fit independently using a two-mechanism model: Pobs(v,J,Ω,Λ) can be decomposed into two components, and the appearance of OH can be fit by two exponential rise times. However, these independent analyses are not mutually consistent. The time-resolved and state-resolved data can be consistently fit using a three-mechanism model. The OH appearance signals, at all probe wavelengths, were fit with times τfast≈0.2 ps, τinter≈0.5 ps and τslow≈5.4 ps. The slowest of these three is the rate for dissociation of a vibrationally excited methanol intermediate (CH3OH*) predicted by statistical theory after complete intramolecular energy redistribution following insertion of O(1D2) into CH4. The Pobs(v,J,Ω,Λ) was decomposed into three components, each with a linear surprisal, under the assumption that the mechanism producing OH at a statistical rate would be characterized by a statistical prior. Dissociation of a CH4O* intermediate before complete energy randomization was identified as producing OH at the intermediate rate and was associated with a population distribution with more rovibrational energy than the slow mechanism. The third mechanism produces OH promptly with a cold rovibrational distribution, indicative of a collinear abstraction mechanism. After these identifications were made, it was possible to predict the fraction of signal associated with each mechanism at different probe wavelengths in the ultrafast experiment, and the predictions proved consistent with measured appearance signals. This model also reconciles data from a variety of previous experiments. While this model is the simplest that is consistent with the data, it is not definitive for several reasons. First, the appearance signals measured in these experiments probe simultaneously many OH(v,J,Ω,Λ) states, which would tend to obfuscate differences in the appearance rate of specific rovibrational states. Second, only about half of the OH(v,J,Ω,Λ) states populated by this reaction could be probed by laser-induced fluorescence through the OH A←X band with our apparatus. Third, the cluster environment might influence the dynamics compared to the free bimolecular reaction.

Fast preparation of flower-like Bi{sub 4}Ge{sub 3}O{sub 12} microstructures via a microwave-assisted hydrothermal process

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Zhao-Qian; Zhang, Lei; Chen, Xue-Tai, E-mail: xtchen@netra.nju.edu.cn

In the present paper, we report a facile and fast microwave-assisted solution-phase approach for the preparation of flower-like bismuth germanate (Bi{sub 4}Ge{sub 3}O{sub 12}) microstructures, employing bismuth nitrate pentahydrate (Bi(NO{sub 3}){sub 3}{center_dot}5H{sub 2}O) and germanium dioxide (GeO{sub 2}) as starting materials. The phase and morphology of the products were characterized by powder X-ray diffraction, X-ray photoelectron spectrum, energy dispersive spectrometry, and scanning electron microscopy. Some control experiments have been carried out to reveal the influencing factors involved in the formation, which suggested that reaction time, reaction temperature, the volume of ammonia and glycerol play crucial roles in the formation ofmore » the flower-like Bi{sub 4}Ge{sub 3}O{sub 12}. The optical absorption property of the product has been investigated. - Highlights: Black-Right-Pointing-Pointer Flower-like Bi4Ge3O12 was synthesized via a microwave-assisted solution route. Black-Right-Pointing-Pointer The phases and morphologies of the product have been characterized. Black-Right-Pointing-Pointer The optical property of the product has been studied.« less

A long-lived tritiated titanium target for fast neutron production

NASA Astrophysics Data System (ADS)

Hughey, B. J.

1995-03-01

Diagnostic techniques using neutron beams have a broad spectrum of applications in advanced manufacturing, explosives and contraband detection, medicine, and industry. The most suitable nuclear reaction for producing large fluxes of fast neutrons at low bombarding energy is the H(d,n)-3 He-4, i.e. d-T, reaction. The lifetime of currently used d-T neutron generators is limited by the gradual evolution of tritium gas from the target during bombardment. This paper is a report of work in progress to develop a method for inhibiting the replacement of tritium with beam deuterons and thus preventing the evolution of tritium gas leading to reduced neutron yield. It is anticipated that tritiated target lifetime can be increased by at least an order of magnitude by using a range-thin tritiated titanium target mounted on a substrate with a high hydrogen diffusivity, such as niobium. Lifetime can be further enhanced by increasing the deuteron beam bombarding energy from the typical value of 200 keV to 600 keV. The results of experiments demonstrating the effect of hydrogen diffusion coefficient on concentration of implanted beam deuterons in candidate substrate materials (Cu, Pd, and Nb) are presented, and issues relevant to the fabrication of a tritiated titanium target on a niobium substrate are discussed.

Objective assessment of drowsiness and reaction time during intermittent Ramadan fasting in young men: a case-crossover study

PubMed Central

2013-01-01

Background Ramadan fasting and its attendant lifestyle changes induce changes in the circadian rhythm and in associated physiological and metabolic functions. Previous studies that have assessed psychomotor performance during Ramadan fasting have reported conflicting results. Therefore, we designed this study to objectively assess the effects of intermittent fasting during and outside Ramadan (to control for lifestyle changes) on drowsiness, blink total duration and mean reaction time (MRT) test while controlling for potential confounders. Methods Eight healthy volunteers with a mean age of 25.3 ± 2.9 years and a mean body mass index (BMI) of 23.4 ± 3.2 kg/m2 reported to the sleep laboratory on four occasions for polysomnography (PSG) and drowsiness and psychomotor assessments as follows: 1) adaptation; 2) 4 weeks before Ramadan while performing the Islamic fasting for 1 week (baseline fasting) (BLF); 3) 1 week before Ramadan (non-fasting baseline) (BL); and 4) during the second week of Ramadan while fasting (Ramadan). OPTALERT™ was used to objectively assess daytime drowsiness using the Johns Drowsiness Scale (JDS), and blink total duration and a visual reaction time test were used to assess MRT. Results Rapid eye movement (REM) sleep percentage was significantly lower at BLF (17.7 ± 8.1%) and at Ramadan (18.6 ± 10.7%) compared with BL (25.6 ± 4.8%) (p < 0.05). There were no significant differences between JDS scores and blink total duration during the two test periods in BL, BLF and Ramadan. There were no significant changes in MRT during BL, BLF and Ramadan. Conclusions Under controlled conditions of fixed light/dark exposure, caloric intake, sleep/wake schedule and sleep quality, the Islamic intermittent fasting has no impact on drowsiness and vigilance as measured by the JDS, total blink duration and MRT. PMID:23937904

Objective assessment of drowsiness and reaction time during intermittent Ramadan fasting in young men: a case-crossover study.

PubMed

Bahammam, Ahmed S; Nashwan, Samar; Hammad, Omeima; Sharif, Munir M; Pandi-Perumal, Seithikurippu R

2013-08-12

Ramadan fasting and its attendant lifestyle changes induce changes in the circadian rhythm and in associated physiological and metabolic functions. Previous studies that have assessed psychomotor performance during Ramadan fasting have reported conflicting results. Therefore, we designed this study to objectively assess the effects of intermittent fasting during and outside Ramadan (to control for lifestyle changes) on drowsiness, blink total duration and mean reaction time (MRT) test while controlling for potential confounders. Eight healthy volunteers with a mean age of 25.3 ± 2.9 years and a mean body mass index (BMI) of 23.4 ± 3.2 kg/m2 reported to the sleep laboratory on four occasions for polysomnography (PSG) and drowsiness and psychomotor assessments as follows: 1) adaptation; 2) 4 weeks before Ramadan while performing the Islamic fasting for 1 week (baseline fasting) (BLF); 3) 1 week before Ramadan (non-fasting baseline) (BL); and 4) during the second week of Ramadan while fasting (Ramadan). OPTALERT™ was used to objectively assess daytime drowsiness using the Johns Drowsiness Scale (JDS), and blink total duration and a visual reaction time test were used to assess MRT. Rapid eye movement (REM) sleep percentage was significantly lower at BLF (17.7 ± 8.1%) and at Ramadan (18.6 ± 10.7%) compared with BL (25.6 ± 4.8%) (p < 0.05). There were no significant differences between JDS scores and blink total duration during the two test periods in BL, BLF and Ramadan. There were no significant changes in MRT during BL, BLF and Ramadan. Under controlled conditions of fixed light/dark exposure, caloric intake, sleep/wake schedule and sleep quality, the Islamic intermittent fasting has no impact on drowsiness and vigilance as measured by the JDS, total blink duration and MRT.

Intermittent fasting: a "new" historical strategy for controlling seizures?

PubMed

Hartman, Adam L; Rubenstein, James E; Kossoff, Eric H

2013-05-01

In antiquity, fasting was a treatment for epilepsy and a rationale for the ketogenic diet (KD). Preclinical data indicate the KD and intermittent fasting do not share identical anticonvulsant mechanisms. We implemented an intermittent fasting regimen in six children with an incomplete response to a KD. Three patients adhered to the combined intermittent fasting/KD regimen for 2 months and four had transient improvement in seizure control, albeit with some hunger-related adverse reactions. Copyright © 2012 Elsevier B.V. All rights reserved.

Thermal decomposition of solid phase nitromethane under various heating rates and target temperatures based on ab initio molecular dynamics simulations.

PubMed

Xu, Kai; Wei, Dong-Qing; Chen, Xiang-Rong; Ji, Guang-Fu

2014-10-01

The Car-Parrinello molecular dynamics simulation was applied to study the thermal decomposition of solid phase nitromethane under gradual heating and fast annealing conditions. In gradual heating simulations, we found that, rather than C-N bond cleavage, intermolecular proton transfer is more likely to be the first reaction in the decomposition process. At high temperature, the first reaction in fast annealing simulation is intermolecular proton transfer leading to CH3NOOH and CH2NO2, whereas the initial chemical event at low temperature tends to be a unimolecular C-N bond cleavage, producing CH3 and NO2 fragments. It is the first time to date that the direct rupture of a C-N bond has been reported as the first reaction in solid phase nitromethane. In addition, the fast annealing simulations on a supercell at different temperatures are conducted to validate the effect of simulation cell size on initial reaction mechanisms. The results are in qualitative agreement with the simulations on a unit cell. By analyzing the time evolution of some molecules, we also found that the time of first water molecule formation is clearly sensitive to heating rates and target temperatures when the first reaction is an intermolecular proton transfer.

Deuterium-lithium plasma as a source of fusion neutrons

NASA Astrophysics Data System (ADS)

Chirkov, A. Yu; Vesnin, V. R.

2017-11-01

The concepts of deuterium-tritium (D-T) fusion neutron source are currently developed for hybrid fusion-fission systems and the waste transmutation ones. The need to use tritium technologies is a deterrent factor in this promising direction of energy production. Potential possibilities of using systems that do not require tritium developments are of a significant interest. A deuterium-deuterium (D-D) reaction is considered for the use in demonstration fusion neutron sources. The product of this reaction is tritium, which will burn in the plasma with the emission of fast neutrons. D-D reaction is significantly slower then D-T reaction. Present study shows an increase in neutron yield using a powerful injection of the beam of deuterium atoms. The reactions of the deuterium with lithium isotopes are considered. In some of these reactions, fast neutrons can be obtained. The results of the calculation of the neutron yield from the deuterium lithium plasma are discussed. The estimates of the parameters needed for the realization of a source of fusion neutrons are presented.

Development of interactive graphic user interfaces for modeling reaction-based biogeochemical processes in batch systems with BIOGEOCHEM

NASA Astrophysics Data System (ADS)

Chang, C.; Li, M.; Yeh, G.

2010-12-01

The BIOGEOCHEM numerical model (Yeh and Fang, 2002; Fang et al., 2003) was developed with FORTRAN for simulating reaction-based geochemical and biochemical processes with mixed equilibrium and kinetic reactions in batch systems. A complete suite of reactions including aqueous complexation, adsorption/desorption, ion-exchange, redox, precipitation/dissolution, acid-base reactions, and microbial mediated reactions were embodied in this unique modeling tool. Any reaction can be treated as fast/equilibrium or slow/kinetic reaction. An equilibrium reaction is modeled with an implicit finite rate governed by a mass action equilibrium equation or by a user-specified algebraic equation. A kinetic reaction is modeled with an explicit finite rate with an elementary rate, microbial mediated enzymatic kinetics, or a user-specified rate equation. None of the existing models has encompassed this wide array of scopes. To ease the input/output learning curve using the unique feature of BIOGEOCHEM, an interactive graphic user interface was developed with the Microsoft Visual Studio and .Net tools. Several user-friendly features, such as pop-up help windows, typo warning messages, and on-screen input hints, were implemented, which are robust. All input data can be real-time viewed and automated to conform with the input file format of BIOGEOCHEM. A post-processor for graphic visualizations of simulated results was also embedded for immediate demonstrations. By following data input windows step by step, errorless BIOGEOCHEM input files can be created even if users have little prior experiences in FORTRAN. With this user-friendly interface, the time effort to conduct simulations with BIOGEOCHEM can be greatly reduced.

The Microwave Anisotropy Probe (MAP) Attitude Control System

NASA Technical Reports Server (NTRS)

Markley, F. Landis; Andrews, Stephen F.; ODonnell, James R., Jr.; Ward, David K.; Ericsson, Aprille J.; Bauer, Frank H. (Technical Monitor)

2002-01-01

The Microwave Anisotropy Probe mission is designed to produce a map of the cosmic microwave background radiation over the entire celestial sphere by executing a fast spin and a slow precession of its spin axis about the Sun line to obtain a highly interconnected set of measurements. The spacecraft attitude is sensed and controlled using an Inertial Reference Unit, two Autonomous Star Trackers, a Digital Sun Sensor, twelve Coarse Sun Sensors, three Reaction Wheel Assemblies, and a propulsion system. This paper describes the design of the attitude control system that carries out this mission and presents some early flight experience.

Critical opacity: a possible explanation of the fast thermalization times seen in BNL RHIC experiments.

PubMed

Gastineau, F; Blanquier, E; Aichelin, J

2005-07-29

The Nambu-Jona-Lasinio Lagrangian offers an explication of the seemingly contradictory observations that (a) the energy loss in the entrance channel of heavy ion reactions is not sufficient to thermalize the system and that (b) the observed hadron cross sections are in almost perfect agreement with hydrodynamical calculations. According to this scenario, a critical opacity develops close to the chiral phase transition which equilibrates and hadronizes the expanding system very effectively. It creates as well radial flow and, if the system is not isotropic, finite upsilon2 values.

The Microwave Anisotropy Probe (MAP) Mission

NASA Technical Reports Server (NTRS)

Markley, F. Landis; Andrews, Stephen F.; ODonnell, James R., Jr.; Ward, David K.; Bauer, Frank H. (Technical Monitor)

2002-01-01

The Microwave Anisotropy Probe mission is designed to produce a map of the cosmic microwave background radiation over the entire celestial sphere by executing a fast spin and a slow precession of its spin axis about the Sun line to obtain a highly interconnected set of measurements. The spacecraft attitude is sensed and controlled using an inertial reference unit, two star trackers, a digital sun sensor, twelve coarse sun sensors, three reaction wheel assemblies, and a propulsion system. This paper presents an overview of the design of the attitude control system to carry out this mission and presents some early flight experience.

The Microwave Anisotropy Probe (MAP) Mission

NASA Technical Reports Server (NTRS)

Markley, F. Landis; Andrews, Stephen F.; ODonnell, James R., Jr.; Ward, David K.; Ericsson, Aprille J.; Bauer, Frank H. (Technical Monitor)

2002-01-01

The Microwave Anisotropy Probe mission is designed to produce a map of the cosmic microwave background radiation over the entire celestial sphere by executing a fast spin and a slow precession of its spin axis about the Sun line to obtain a highly interconnected set of measurements. The spacecraft attitude is sensed and controlled using an Inertial Reference Unit, two Autonomous Star Trackers, a Digital Sun Sensor, twelve Coarse Sun Sensors, three Reaction Wheel Assemblies, and a propulsion system. This paper describes the design of the attitude control system that carries out this mission and presents some early flight experience.

Fast quench reactor method

DOEpatents

Detering, B.A.; Donaldson, A.D.; Fincke, J.R.; Kong, P.C.; Berry, R.A.

1999-08-10

A fast quench reaction includes a reactor chamber having a high temperature heating means such as a plasma torch at its inlet and a means of rapidly expanding a reactant stream, such as a restrictive convergent-divergent nozzle at its outlet end. Metal halide reactants are injected into the reactor chamber. Reducing gas is added at different stages in the process to form a desired end product and prevent back reactions. The resulting heated gaseous stream is then rapidly cooled by expansion of the gaseous stream. 8 figs.

Fast quench reactor method

DOEpatents

Detering, Brent A.; Donaldson, Alan D.; Fincke, James R.; Kong, Peter C.; Berry, Ray A.

1999-01-01

A fast quench reaction includes a reactor chamber having a high temperature heating means such as a plasma torch at its inlet and a means of rapidly expanding a reactant stream, such as a restrictive convergent-divergent nozzle at its outlet end. Metal halide reactants are injected into the reactor chamber. Reducing gas is added at different stages in the process to form a desired end product and prevent back reactions. The resulting heated gaseous stream is then rapidly cooled by expansion of the gaseous stream.

Interaction of selenite with reduced Fe and/or S species: An XRD and XAS study.

PubMed

Finck, Nicolas; Dardenne, Kathy

2016-05-01

In this study, we investigated the interaction between selenite and either Fe((II))aq or S((-II))aq in solution, and the results were used to investigate the interaction between Se((IV))aq and FeS in suspension. The reaction products were characterized by a combination of methods (SEM, XRD and XAS) and the reaction mechanisms were identified. In a first experiment, Se((IV))aq was reduced to Se((0)) by interaction with Fe((II))aq which was oxidized to Fe((III)), but the reaction was only partial. Subsequently, some Fe((III)) produced akaganeite (β-FeOOH) and the release of proton during that reaction decreased the pH. The pH decrease changed the Se speciation in solution which hindered further Se((IV)) reduction by Fe((II))aq. In a second experiment, Se((IV))aq was quantitatively reduced to Se((0)) by S((-II))aq and the reaction was fast. Two sulfide species were needed to reduce one Se((IV)), and the observed pH increase was due to a proton consumption. For both experiments, experimental results are consistent with expectations based on the oxidation reduction potential of the various species. Upon interaction with FeS, Se((IV))aq was reduced to Se((0)) and minute amounts of pyrite were detected, a consequence of partial mackinawite oxidation at surface sulfur sites. These results are of prime importance with respect to safe deep disposal of nuclear waste which contains the long-lived radionuclide (79)Se. This study shows that after release of (79)Se((IV)) upon nuclear waste matrix corrosion, selenite can be reduced in the near field to low soluble Se((0)) by interaction with Fe((II))aq and/or S((-II))aq species. Because the solubility of Se((0)) species is significantly lower than that of Se((IV)), selenium will become much less (bio)available and its migration out of deep HLW repositories may be drastically hindered. Copyright © 2016. Published by Elsevier B.V.

Neutron-induced reaction cross-sections of 93Nb with fast neutron based on 9Be(p,n) reaction

NASA Astrophysics Data System (ADS)

Naik, H.; Kim, G. N.; Kim, K.; Zaman, M.; Nadeem, M.; Sahid, M.

2018-02-01

The cross-sections of the 93Nb (n , 2 n)92mNb, 93Nb (n , 3 n)91mNb and 93Nb (n , 4 n)90Nb reactions with the average neutron energies of 14.4 to 34.0 MeV have been determined by using an activation and off-line γ-ray spectrometric technique. The fast neutrons were produced using the 9Be (p , n) reaction with the proton energies of 25-, 35- and 45-MeV from the MC-50 Cyclotron at the Korea Institute of Radiological and Medical Sciences (KIRAMS). The neutron flux-weighted average cross-sections of the 93Nb(n , xn ; x = 2- 4) reactions were also obtained from the mono-energetic neutron-induced reaction cross-sections of 93Nb calculated using the TALYS 1.8 code, and the neutron flux spectrum based on the MCNPX 2.6.0 code. The present results for the 93Nb(n , xn ; x = 2- 4) reactions are compared with the calculated neutron flux-weighted average values and found to be in good agreement.

SOA formation from partitioning and heterogeneous reactions: model study in the presence of inorganic species.

PubMed

Jang, Myoseon; Czoschke, Nadine M; Northcross, Amanda L; Cao, Gang; Shaof, David

2006-05-01

A predictive model for secondary organic aerosol (SOA) formation by both partitioning and heterogeneous reactions was developed for SOA created from ozonolysis of alpha-pinene in the presence of preexisting inorganic seed aerosols. SOA was created in a 2 m3 polytetrafluoroethylene film indoor chamber under darkness. Extensive sets of SOA experiments were conducted varying humidity, inorganic seed compositions comprising of ammonium sulfate and sulfuric acid, and amounts of inorganic seed mass. SOA mass was decoupled into partitioning (OM(P)) and heterogeneous aerosol production (OM(H)). The reaction rate constant for OM(H) production was subdivided into three categories (fast, medium, and slow) to consider different reactivity of organic products for the particle phase heterogeneous reactions. The influence of particle acidity on reaction rates was treated in a previous semiempirical model. Model OM(H) was developed with medium and strong acidic seed aerosols, and then extrapolated to OM(H) in weak acidic conditions, which are more relevant to atmospheric aerosols. To demonstrate the effects of preexisting glyoxal derivatives (e.g., glyoxal hydrate and dimer) on OM(H), SOA was created with a seed mixture comprising of aqueous glyoxal and inorganic species. Our results show that heterogeneous SOA formation was also influenced by preexisting reactive glyoxal derivatives.

One-dimensional biomass fast pyrolysis model with reaction kinetics integrated in an Aspen Plus Biorefinery Process Model

DOE PAGES

Humbird, David; Trendewicz, Anna; Braun, Robert; ...

2017-01-12

A biomass fast pyrolysis reactor model with detailed reaction kinetics and one-dimensional fluid dynamics was implemented in an equation-oriented modeling environment (Aspen Custom Modeler). Portions of this work were detailed in previous publications; further modifications have been made here to improve stability and reduce execution time of the model to make it compatible for use in large process flowsheets. The detailed reactor model was integrated into a larger process simulation in Aspen Plus and was stable for different feedstocks over a range of reactor temperatures. Sample results are presented that indicate general agreement with experimental results, but with higher gasmore » losses caused by stripping of the bio-oil by the fluidizing gas in the simulated absorber/condenser. Lastly, this integrated modeling approach can be extended to other well-defined, predictive reactor models for fast pyrolysis, catalytic fast pyrolysis, as well as other processes.« less

One-dimensional biomass fast pyrolysis model with reaction kinetics integrated in an Aspen Plus Biorefinery Process Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Humbird, David; Trendewicz, Anna; Braun, Robert

A biomass fast pyrolysis reactor model with detailed reaction kinetics and one-dimensional fluid dynamics was implemented in an equation-oriented modeling environment (Aspen Custom Modeler). Portions of this work were detailed in previous publications; further modifications have been made here to improve stability and reduce execution time of the model to make it compatible for use in large process flowsheets. The detailed reactor model was integrated into a larger process simulation in Aspen Plus and was stable for different feedstocks over a range of reactor temperatures. Sample results are presented that indicate general agreement with experimental results, but with higher gasmore » losses caused by stripping of the bio-oil by the fluidizing gas in the simulated absorber/condenser. Lastly, this integrated modeling approach can be extended to other well-defined, predictive reactor models for fast pyrolysis, catalytic fast pyrolysis, as well as other processes.« less

Reactivity and Fragmentation of Aluminum-based Structural Energetic Materials under Explosive Loading

NASA Astrophysics Data System (ADS)

Glumac, Nick; Clemenson, Michael; Guadarrama, Jose; Krier, Herman

2015-06-01

Aluminum-cased warheads have been observed to generate enhanced blast and target damage due to reactivity of the aluminum fragments with ambient air. This effect can more than double the output of a conventional warhead. The mechanism by which the aluminum reacts under these conditions remains poorly understood. We undertake a highly controlled experimental study to investigate the phenomenon of aluminum reaction under explosive loading. Experiments are conducted with Al 6061 casings and PBX-N9 explosive with a fixed charge to case mass ratio of 1:2. Results are compared to inert casings (steel), as well as to tests performed in nitrogen environments to isolate aerobic and anaerobic effects. Padded walls are used in some tests to isolate the effects of impact-induced reactions, which are found to be non-negligible. Finally, blast wave measurements and quasi-static pressure measurements are used to isolate the fraction of case reaction that is fast enough to drive the primary blast wave from the later time reaction that generates temperature and overpressure only in the late-time fireball. Fragment size distributions, including those in the micron-scale range, are collected and quantified.

Kinetic modeling and fitting software for interconnected reaction schemes: VisKin.

PubMed

Zhang, Xuan; Andrews, Jared N; Pedersen, Steen E

2007-02-15

Reaction kinetics for complex, highly interconnected kinetic schemes are modeled using analytical solutions to a system of ordinary differential equations. The algorithm employs standard linear algebra methods that are implemented using MatLab functions in a Visual Basic interface. A graphical user interface for simple entry of reaction schemes facilitates comparison of a variety of reaction schemes. To ensure microscopic balance, graph theory algorithms are used to determine violations of thermodynamic cycle constraints. Analytical solutions based on linear differential equations result in fast comparisons of first order kinetic rates and amplitudes as a function of changing ligand concentrations. For analysis of higher order kinetics, we also implemented a solution using numerical integration. To determine rate constants from experimental data, fitting algorithms that adjust rate constants to fit the model to imported data were implemented using the Levenberg-Marquardt algorithm or using Broyden-Fletcher-Goldfarb-Shanno methods. We have included the ability to carry out global fitting of data sets obtained at varying ligand concentrations. These tools are combined in a single package, which we have dubbed VisKin, to guide and analyze kinetic experiments. The software is available online for use on PCs.

Effects of Pressure and Temperature on the Kinetics of Iron-magnesite Redox Reaction: Implication for the Genesis of Ultradeep Diamonds

NASA Astrophysics Data System (ADS)

Zhu, F.; Li, J.; Liu, J.; Lai, X.; Chen, B.; Meng, Y.

2016-12-01

Diamonds may be the products of redox reaction between carbonates in the subducted slabs and iron metal in the mantle [1]. Given the relatively low temperatures of the subducted slabs, however, it remains to be shown that such reaction can occur at sufficiently fast rate. To examine the influence of pressure and temperature (P-T) on the kinetics of iron-carbonate redox reaction, we performed in-situ synchrotron X-ray diffraction (XRD) experiments at the Advanced Photon Source, Argonne National Laboratory, using laser-heated diamond anvil cells. The starting material consists of an iron foil sandwiched between two magnesite pellets. Data were collected between 1050 and 1800 K at 50-100 K intervals, at seven pressures between 12 and 40 GPa, corresponding the depths where most ultradeep diamonds originated [2]. We obtained constraints on the Fe-MgCO3reaction boundary, which was located between the estimated temperatures on the surface of cold slabs near 1400 K and inside their interiors near 1000 K, and it had a similar slope as the slab geotherm [3]. Furthermore, the experiments revealed a significant effect of pressure on the extent and rate of the reaction. The XRD patterns showed that below 15 GPa the initial reaction products were iron carbides, which reacted with magnesite to form diamonds when the reaction completed in 60 minutes at 1300 to 1500 K. Above 18 GPa only iron carbides were observed in the XRD patterns even when all the iron was consumed, and iron carbides still coexisted with magnesite after 100 to 160 minutes at 1600 to 1800 K. Our results suggest that diamonds can be produced from iron-carbonate redox reaction at slab-mantle boundary conditions at the deeper part of the upper mantle, but diamond growth through this reaction is slow or kinetically hindered in the lower mantle. References[1] Palyanov, Y. N. et al. (2013). Proc. Nat. Aca. Sci., 110(51), 20408-20413. [2] Stachel, T. et al. (2005). Elements, 1(2), 73-78. [3] Eberle et al. (2002). Phys. Earth Planet. Int., 134(3), 191-202.

Feasibility and repeatability of localized (31) P-MRS four-angle saturation transfer (FAST) of the human gastrocnemius muscle using a surface coil at 7 T.

PubMed

Tušek Jelenc, Marjeta; Chmelík, Marek; Bogner, Wolfgang; Krššák, Martin; Trattnig, Siegfried; Valkovič, Ladislav

2016-01-01

Phosphorus ((31) P) MRS, combined with saturation transfer (ST), provides non-invasive insight into muscle energy metabolism. However, even at 7 T, the standard ST method with T1 (app) measured by inversion recovery takes about 10 min, making it impractical for dynamic examinations. An alternative method, i.e. four-angle saturation transfer (FAST), can shorten the examination time. The aim of this study was to test the feasibility, repeatability, and possible time resolution of the localized FAST technique measurement on an ultra-high-field MR system, to accelerate the measurement of both Pi -to-ATP and PCr-to-ATP reaction rates in the human gastrocnemius muscle and to test the feasibility of using the FAST method for dynamic measurements. We measured the exchange rates and metabolic fluxes in the gastrocnemius muscle of eight healthy subjects at 7 T with the depth-resolved surface coil MRS (DRESS)-localized FAST method. For comparison, a standard ST localized method was also used. The measurement time for the localized FAST experiment was 3.5 min compared with the 10 min for the standard localized ST experiment. In addition, in five healthy volunteers, Pi -to-ATP and PCr-to-ATP metabolic fluxes were measured in the gastrocnemius muscle at rest and during plantar flexion by the DRESS-localized FAST method. The repeatability of PCr-to-ATP and Pi -to-ATP exchange rate constants, determined by the slab-selective localized FAST method at 7 T, is high, as the coefficients of variation remained below 20%, and the results of the exchange rates measured with the FAST method are comparable to those measured with standard ST. During physical activity, the PCr-to-ATP metabolic flux decreased (from FCK  = 8.21 ± 1.15 mM s(-1) to FCK  = 3.86 ± 1.38 mM s(-1) ) and the Pi -to-ATP flux increased (from FATP  = 0.43 ± 0.14 mM s(-1) to FATP  = 0.74 ± 0.13 mM s(-1) ). In conclusion, we could demonstrate that measurements in the gastrocnemius muscle are feasible at rest and are short enough to be used during exercise with the DRESS-localized FAST method at 7 T. Copyright © 2015 John Wiley & Sons, Ltd.

STS-107 Crew Interviews: Michael Anderson, Mission Specialist

NASA Technical Reports Server (NTRS)

2002-01-01

STS-107 Mission Specialist 3 and Payload Commander Michael Anderson is seen during this preflight interview, where he gives a quick overview of the mission before answering questions about his inspiration to become an astronaut and his career path. He outlines his role in the mission in general, and specifically in conducting onboard science experiments. He discusses the following instruments and sets of experiments in detail: CM2 (Combustion Module 2), FREESTAR (Fast Reaction Enabling Science Technology and Research, MEIDEX (Mediterranean Israeli Dust Experiment) and MGM (Mechanics of Granular Materials). Anderson also mentions on-board activities and responsibilities during launch and reentry, mission training, and microgravity research. In addition, he touches on the dual work-shift nature of the mission, the use of crew members as research subjects including pre and postflight monitoring activities, the emphasis on crew safety during training and the value of international cooperation.

KSC-03pd0110

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- The STS-107 crew heads for the Astrovan and a ride to Launch Pad 39A for liftoff. From left to right are Payload Commander Michael Anderson, Mission Specialist David Brown, Payload Specialist Ilan Ramon, Mission Specialists Laurel Clark and Kalpana Chawla, Mission Commandaer Rick Husband and Pilot William "Willie" McCool. Ramon is the first astronaut from Israel to fly on a Shuttle. The 16-day mission is devoted to research and will include more than 80 experiments that will study Earth and space science, advanced technology development, and astronaut health and safety. The payload on Space Shuttle Columbia includes FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Liftoff is scheduled for 10:39 a.m. EST. [Photo courtesy of Scott Andrews

Hybrid stochastic simulation of reaction-diffusion systems with slow and fast dynamics.

PubMed

Strehl, Robert; Ilie, Silvana

2015-12-21

In this paper, we present a novel hybrid method to simulate discrete stochastic reaction-diffusion models arising in biochemical signaling pathways. We study moderately stiff systems, for which we can partition each reaction or diffusion channel into either a slow or fast subset, based on its propensity. Numerical approaches missing this distinction are often limited with respect to computational run time or approximation quality. We design an approximate scheme that remedies these pitfalls by using a new blending strategy of the well-established inhomogeneous stochastic simulation algorithm and the tau-leaping simulation method. The advantages of our hybrid simulation algorithm are demonstrated on three benchmarking systems, with special focus on approximation accuracy and efficiency.

Highly selective transformation of ammonia nitrogen to N2 based on a novel solar-driven photoelectrocatalytic-chlorine radical reactions system.

PubMed

Ji, Youzhi; Bai, Jing; Li, Jinhua; Luo, Tao; Qiao, Li; Zeng, Qingyi; Zhou, Baoxue

2017-11-15

A highly selective method for transforming ammonia nitrogen to N 2 was proposed, based on a novel solar-driven photoelectrocatalytic-chlorine radical reactions (PEC-chlorine) system. The PEC-chlorine system was facilitated by a visible light response WO 3 nanoplate array (NPA) electrode in an ammonia solution containing chloride ions (Cl - ). Under illumination, photoholes from WO 3 promote the oxidation of Cl - to chlorine radical (Cl). This radical can selectively transform ammonia nitrogen to N 2 (79.9%) and NO 3 - (19.2%), similar to the breakpoint chlorination reaction. The ammonia nitrogen removal efficiency increased from 10.6% (PEC without Cl - ) to 99.9% with the PEC-chlorine system within 90 min operation, which can be attributed to the cyclic reactions between Cl - /Cl and the reaction intermediates (NH 2 , NHCl, etc.) that expand the degradation reactions from the surface of the electrodes to the whole solution system. Moreover, Cl is the main radical species contributing to the transformation of ammonia nitrogen to N 2 , which is confirmed by the tBuOH capture experiment. Compared to conventional breakpoint chlorination, the PEC-chlorine system is a more economical and efficient means for ammonia nitrogen degradation because of the fast removal rate, no additional chlorine cost, and its use of clean energy (since it is solar-driven). Copyright © 2017 Elsevier Ltd. All rights reserved.

Coupling of Fast and Slow Modes in the Reaction Pathway of the Minimal Hammerhead Ribozyme Cleavage

PubMed Central

Radhakrishnan, Ravi

2007-01-01

By employing classical molecular dynamics, correlation analysis of coupling between slow and fast dynamical modes, and free energy (umbrella) sampling using classical as well as mixed quantum mechanics molecular mechanics force fields, we uncover a possible pathway for phosphoryl transfer in the self-cleaving reaction of the minimal hammerhead ribozyme. The significance of this pathway is that it initiates from the minimal hammerhead crystal structure and describes the reaction landscape as a conformational rearrangement followed by a covalent transformation. The delineated mechanism is catalyzed by two metal (Mg2+) ions, proceeds via an in-line-attack by CYT 17 O2′ on the scissile phosphorous (ADE 1.1 P), and is therefore consistent with the experimentally observed inversion configuration. According to the delineated mechanism, the coupling between slow modes involving the hammerhead backbone with fast modes in the cleavage site appears to be crucial for setting up the in-line nucleophilic attack. PMID:17545240

Evaporation rate-based selection of supramolecular chirality.

PubMed

Hattori, Shingo; Vandendriessche, Stefaan; Koeckelberghs, Guy; Verbiest, Thierry; Ishii, Kazuyuki

2017-03-09

We demonstrate the evaporation rate-based selection of supramolecular chirality for the first time. P-type aggregates prepared by fast evaporation, and M-type aggregates prepared by slow evaporation are kinetic and thermodynamic products under dynamic reaction conditions, respectively. These findings provide a novel solution reaction chemistry under the dynamic reaction conditions.

Hydrogen Production and Delivery | Hydrogen and Fuel Cells | Hydrogen and

Science.gov Websites

degrees Celsius. Ultra-high temperatures are required for thermochemical reaction cycles to produce for the environmentally benign production of hydrogen. Very high reaction rates at these elevated temperatures give rise to very fast reaction rates, which significantly enhance production rates and more than

Real-time investigation of human topoisomerase I reaction kinetics using an optical sensor: a fast method for drug screening and determination of active enzyme concentrations

NASA Astrophysics Data System (ADS)

Kristoffersen, Emil L.; Jørgensen, Line A.; Franch, Oskar; Etzerodt, Michael; Frøhlich, Rikke; Bjergbæk, Lotte; Stougaard, Magnus; Ho, Yi-Ping; Knudsen, Birgitta R.

2015-05-01

Human DNA topoisomerase I (hTopI) is a nuclear enzyme that catalyzes relaxation of super helical tension that arises in the genome during essential DNA metabolic processes. This is accomplished through a common reaction mechanism shared among the type IB topoisomerase enzymes, including eukaryotic and poxvirus topoisomerase I. The mechanism of hTopI is specifically targeted in cancer treatment using camptothecin derivatives. These drugs convert the hTopI activity into a cellular poison, and hence the cytotoxic effects of camptothecin derivatives correlate with the hTopI activity. Therefore, fast and reliable techniques for high throughput measurements of hTopI activity are of high clinical interest. Here we demonstrate potential applications of a fluorophore-quencher based DNA sensor designed for measurement of hTopI cleavage-ligation activities, which are the catalytic steps affected by camptothecin. The kinetic analysis of the hTopI reaction with the DNA sensor exhibits a characteristic burst profile. This is the result of a two-step ping-pong reaction mechanism, where a fast first reaction, the one creating the signal, is followed by a slower second reaction necessary for completion of the catalytic cycle. Hence, the burst profile holds information about two reactions in the enzymatic mechanism. Moreover, it allows the amount of active enzyme in the reaction to be determined. The presented results pave the way for future high throughput drug screening and the potential of measuring active hTopI concentrations in clinical samples for individualized treatment.Human DNA topoisomerase I (hTopI) is a nuclear enzyme that catalyzes relaxation of super helical tension that arises in the genome during essential DNA metabolic processes. This is accomplished through a common reaction mechanism shared among the type IB topoisomerase enzymes, including eukaryotic and poxvirus topoisomerase I. The mechanism of hTopI is specifically targeted in cancer treatment using camptothecin derivatives. These drugs convert the hTopI activity into a cellular poison, and hence the cytotoxic effects of camptothecin derivatives correlate with the hTopI activity. Therefore, fast and reliable techniques for high throughput measurements of hTopI activity are of high clinical interest. Here we demonstrate potential applications of a fluorophore-quencher based DNA sensor designed for measurement of hTopI cleavage-ligation activities, which are the catalytic steps affected by camptothecin. The kinetic analysis of the hTopI reaction with the DNA sensor exhibits a characteristic burst profile. This is the result of a two-step ping-pong reaction mechanism, where a fast first reaction, the one creating the signal, is followed by a slower second reaction necessary for completion of the catalytic cycle. Hence, the burst profile holds information about two reactions in the enzymatic mechanism. Moreover, it allows the amount of active enzyme in the reaction to be determined. The presented results pave the way for future high throughput drug screening and the potential of measuring active hTopI concentrations in clinical samples for individualized treatment. Electronic supplementary information (ESI) available. See DOI: 10.1039/c5nr01474c

KSC-03pd0138

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. - Seeming to be perched on twin columns of fire, Space Shuttle Columbia leaps off Launch Pad 39A and races toward space on missions STS-107. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences.. Landing of Columbia is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program. [Photo courtesy of Scott Andrews

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NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- Spewing flames and billowing clouds of smoke across Launch Pad 39A, Space Shuttle Columbia roars toward space on mission STS-107. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences.. Landing of Columbia is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program. [Photo courtesy of Scott Andrews

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NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- A mirror image in nearby water reflects the perfect launch of Space Shuttle Columbia on a perfect Florida day. Following a flawless and uneventful countdown, liftoff of the Shuttle on mission STS-107 occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences.. Landing of Columbia is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

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NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- Spewing flames and billowing clouds of smoke across Launch Pad 39A, Space Shuttle Columbia roars toward space on mission STS-107. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences.. Landing of Columbia is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program. [Photo courtesy of Scott Andrews

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NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- Billows of white clouds of steam and smoke frame Space Shuttle Columbia as it rises above the launch tower on Launch Pad 39A on mission STS-107. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Landing is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

KSC-03pd0131

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- A mirror image in nearby water reflects the perfect launch of Space Shuttle Columbia on a perfect Florida day. Following a flawless and uneventful countdown, liftoff of the Shuttle on mission STS-107 occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences.. Landing of Columbia is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

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NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. -- As billows of smoke and steam roll across the landscape, the fiery launch of Space Shuttle Columbia on mission STS-107 is reflected in nearby water. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. Landing is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program. [Photo courtesy of Scott Andrews

KSC-03pp0140

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. - Space Shuttle Columbia outraces the multi-colored clouds of smoke and steam rising below it from Launch Pad 39A as it races toward space on mission STS-107. Following a flawless and uneventful countdown, liftoff occurred on-time at 10:39 a.m. EST. The 16-day research mission includes FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences.. Landing of Columbia is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

KSC-03pd0126

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. - The VIP stand at KSC is filled with not only friends and families of the astronauts, but also representatives of Israel who came to support the first Israeli to fly on a Shuttle, Ilan Ramon. As a payload specialist, Ramon will take part in some of the research on the mission. He is also a colonel in the Israel Air Force. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program.

Characterizing acid diffusion lengths in chemically amplified resists from measurements of deprotection kinetics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patil, Abhijit A.; Pandey, Yogendra Narayan; Doxastakis, Manolis

2014-10-01

The acid-catalyzed deprotection of glassy poly(4-hydroxystyrene-co-tertbutyl acrylate) films was studied with infrared absorbance spectroscopy and stochastic simulations. Experimental data were interpreted with a simple description of subdiffusive acid transport coupled to second-order acid loss. This model predicts key attributes of observed deprotection rates, such as fast reaction at short times, slow reaction at long times, and a nonlinear dependence on acid loading. Fickian diffusion is approached by increasing the post-exposure bake temperature or adding plasticizing agents to the polymer resin. These findings demonstrate that acid mobility and overall deprotection kinetics are coupled to glassy matrix dynamics. To complement the analysismore » of bulk kinetics, acid diffusion lengths were calculated from the anomalous transport model and compared with nanopattern line widths. The consistent scaling between experiments and simulations suggests that the anomalous diffusion model could be further developed into a predictive lithography tool.« less

A Series of Fluorescent and Colorimetric Chemodosimeters for Selective Recognition of Cyanide Based on the FRET Mechanism.

PubMed

Hua, Ying-Xi; Shao, Yongliang; Wang, Ya-Wen; Peng, Yu

2017-06-16

A series of fluorescence "turn-on" probes (PY, AN, NA, B1, and B2) have been developed and successfully applied to detect cyanide anions based on the Michael addition reaction and FRET mechanism. These probes demonstrated good selectivity, high sensitivity, and very fast recognition for CN - . In particular, the fluorescence response of probe NA finished within 3 s. Low limits of detection (down to 63 nM) are also obtained in these probes with remarkable fluorescence enhancement factors. In addition, fluorescence colors of these probes turned to blue, yellow, or orange upon sensing CN - . In UV-vis mode, all of them showed ratiometric response for CN - . 1 H NMR titration experiments and TDDFT calculations were taken to verify the mechanism of the specific reaction and fluorescence properties of the corresponding compounds. Moreover, silica gel plates with these probes were also fabricated and utilized to detect cyanide.

Investigation on the quasifission process by theoretical analysis of experimental data of fissionlike reaction products

NASA Astrophysics Data System (ADS)

Giardina, G.; Nasirov, A. K.; Mandaglio, G.; Curciarello, F.; De Leo, V.; Fazio, G.; Manganaro, M.; Romaniuk, M.; Saccá, C.

2011-02-01

The hindrance to complete fusion is a phenomenon presenting in the most part of the capture events in reactions with massive nuclei. This phenomenon is due to the onset of the quasifission process which competes with complete fusion during the evolution of the composed system formed at capture stage. The branching ratio between quasifission and complete fusion strongly depends from different characteristics of reacting nuclei in the entrance channel. The experimental and theoretical investigations of reaction dynamics connected with the formation of composed system is nowadays the main subject of the nuclear reactions. There is ambiguity in establishment of the reaction mechanism leading to the observed binary fissionlike fragments. The correct estimation of the fusion probability is important in planning experiments for the synthesis of superheavy elements. The experimental determination of evaporation residues only is not enough to restore the true reaction dynamics. The experimental observation of fissionlike fragments only cannot assure the correct distinguishing of products of the quasifission, fast fission, and fusion-fission processes which have overlapping in the mass (angular, kinetic energy) distributions of fragments. In this paper we consider a wide set of reactions (with different mass asymmetry and mass symmetry parameters) with the aim to explain the role played by many quantities on the reaction mechanisms. We also present the results of study of the 48Ca+249Bk reaction used to synthesize superheavy nuclei with Z = 117 by the determination of the evaporation residue cross sections and the effective fission barriers < Bf > of excited nuclei formed along the de-excitation cascade of the compound nucleus.

Experimental evidence for chemo-mechanical coupling during carbon mineralization in ultramafic rocks

NASA Astrophysics Data System (ADS)

Lisabeth, H. P.; Zhu, W.; Kelemen, P. B.; Ilgen, A.

2017-09-01

Storing carbon dioxide in the subsurface as carbonate minerals has the benefit of long-term stability and immobility. Ultramafic rock formations have been suggested as a potential reservoir for this type of storage due to the availability of cations to react with dissolved carbon dioxide and the fast reaction rates associated with minerals common in ultramafic formations; however, the rapid reactions have the potential to couple with the mechanical and hydraulic behavior of the rocks and little is known about the extent and mechanisms of this coupling. In this study, we argue that the dissolution of primary minerals and the precipitation of secondary minerals along pre-existing fractures in samples lead to reductions in both the apparent Young's modulus and shear strength of aggregates, accompanied by reduction in permeability. Hydrostatic and triaxial deformation experiments were run on dunite samples saturated with de-ionized water and carbon dioxide-rich solutions while stress, strain, permeability and pore fluid chemistry were monitored. Sample microstructures were examined after reaction and deformation using scanning electron microscopy (SEM). The results show that channelized dissolution and carbonate mineral precipitation in the samples saturated with carbon dioxide-rich solutions modify the structure of grain boundaries, leading to the observed reductions in stiffness, strength and permeability. A geochemical model was run to help interpret fluid chemical data, and we find that the apparent reaction rates in our experiments are faster than rates calculated from powder reactors, suggesting mechanically enhanced reaction rates. In conclusion, we find that chemo-mechanical coupling during carbon mineralization in dunites leads to substantial modification of mechanical and hydraulic behavior that needs to be accounted for in future modeling efforts of in situ carbon mineralization projects.

Effect of friction on electron transfer: The two reaction coordinate case

NASA Astrophysics Data System (ADS)

Onuchic, José Nelson

1987-04-01

Electron transfer is a very important reaction in many biological processes such as photosynthesis and oxidative phosphorylation. In many of these reactions, most of the interesting dynamics can be included by using two reaction coordinates: one fast (local high frequency vibration modes) and one slow (outersphere modes such as solvent polarization). We report a model to describe this problem, which uses path integral techniques to calculate electron transfer rates, and also to obtain the Fokker-Planck equations associated with this model. Different limiting cases lead to qualitatively different results such as exponential or nonexponential time decay for the donor survival probability. Conditions for the validity of the adiabatic or the nonadiabatic limits will be discussed. Application of this model to real systems is proposed, in particular for a porphyrin rigidly linked to a quinone, which is a very interesting model compound for primary events of photosynthesis. This model can also be used for other multicoordinate biological reactions such as ligand binding to heme proteins. Also, in the concluding part of Sec. III, we discuss the important limit where the fast vibronic mode is much faster than all the other nuclear modes coupled to the problem. In this limit the fast mode ``renormalizes'' the electronic matrix element, and this considerably simplifies the treatment of the problem, reducing it to coupling only to the slow modes.

Studies of fission fragment yields via high-resolution γ-ray spectroscopy

NASA Astrophysics Data System (ADS)

Wilson, J. N.; Lebois, M.; Qi, L.; Amador-Celdran, P.; Bleuel, D.; Briz, J. A.; Carroll, R.; Catford, W.; Witte, H. De; Doherty, D. T.; Eloirdi, R.; Georgiev, G.; Gottardo, A.; Goasduff, A.; Hadyñska-Klek, K.; Hauschild, K.; Hess, H.; Ingeberg, V.; Konstantinopoulos, T.; Ljungvall, J.; Lopez-Martens, A.; Lorusso, G.; Lozeva, R.; Lutter, R.; Marini, P.; Matea, I.; Materna, T.; Mathieu, L.; Oberstedt, A.; Oberstedt, S.; Panebianco, S.; Podolyak, Zs.; Porta, A.; Regan, P. H.; Reiter, P.; Rezynkina, K.; Rose, S. J.; Sahin, E.; Seidlitz, M.; Serot, O.; Shearman, R.; Siebeck, B.; Siem, S.; Smith, A. G.; Tveten, G. M.; Verney, D.; Warr, N.; Zeiser, F.; Zielinska, M.

2018-03-01

Precise spectroscopic information on the fast neutron induced fission of the 238U(n,f) reaction was recently gained using a new technique which involved coupling of the Miniball high resolution y-ray spectrometer and the LICORNE directional neutron source. The experiment allowed measurement of the isotopic fission yields for around 40 even-even nuclei at an incident neutron energy of around 2 MeV where yield data are very sparse. In addition spectroscopic information on very neutron-rich fission products was obtained. Results were compared to models, both the JEFF-3.1.1 data base and the GEF code, and large discrepancies for the S1 fission mode in the Sn/Mo isotope pair were discovered. This suggests that current models are overestimating the role played by spherical shell effects in fast neutron induced fission. In late 2017 and 2018 the nu-ball hybrid spectrometer will be constructed at the IPN Orsay to perform further experimental investigations with directional neutrons coupled to a powerful hybrid Ge/LaBr3 detector array. This will open up new possibilities for measurements of fission yields for fast-neutron-induced fission using the spectroscopic technique and will be complimentary to other methods being developed.

Characterizing the growth to detonation in HNS with small-scale PDV "cutback" experiments

NASA Astrophysics Data System (ADS)

Wixom, Ryan R.; Yarrington, Cole D.; Knepper, Robert; Tappan, Alexander S.; Olles, Joseph D.; Damm, David L.

2017-01-01

For many decades, cutback experiments have been used to characterize the equation of state and growth to steady detonation in explosive formulations. More recently, embedded gauges have been used to capture the growth to steady detonation in gas-gun impacted samples. Data resulting from these experiments are extremely valuable for parameterizing equation of state and reaction models used in hydrocode simulations. Due to the extremely fast growth to detonation in typical detonator explosives, cutback and embedded gauge experiments are particularly difficult, if not impossible. Using frequency shifted photonic Doppler velocimetry (PDV) we have measured particle velocity histories from vapor-deposited explosive films impacted with electrically driven flyers. By varying the sample thickness and impact conditions we were able to capture the growth from inert shock to full detonation pressure within distances as short as 100 µm. These data are being used to assess and improve burn-model parameterization and equations of state for simulating shock initiation.

Sodium Handling Technology and Engineering Design of the Madison Dynamo Experiment.

NASA Astrophysics Data System (ADS)

Kendrick, R.; Forest, C. B.; O'Connell, R.; Wright, A.; Robinson, K.

1998-11-01

A new liquid metal MHD experiment is being constructed at the University of Wisconsin to test several key predictions of dynamo theory: magnetic instabilities driven by sheared flow, the effects of turbulence on current generation, and the back-reaction of the self-generated magnetic field on the fluid motion which brings saturation. This presentation describes the engineering design of the experiment, which is a 0.5 m radius spherical vessel, filled with liquid sodium at 150 degrees Celsius. The experiment is designed to achieve a magnetic Reynolds number in excess of 100, which requires approximately 80 Hp of mechanical drive, producing flow velocities in sodium of 15 m/s through impellers. Handling liquid sodium offers a number of technical challenges, but routine techniques have been developed over the past several decades for safely handling large quantities for the fast breeder reactor. The handling strategy is discussed, technical details concerning seals and pressurazation are presented, and safety elements are highlighted.

Initial operation with sodium in the Madison Dynamo Experiment.

NASA Astrophysics Data System (ADS)

Kendrick, R.; Spence, Ej; Forest, C. B.; O'Connell, R.; Nornberg, Md; Canary, Hw; Wright, A.; Robinson, K.

1999-11-01

A new liquid metal MHD experiment has been constructed at the University of Wisconsin to test several key predictions of dynamo theory: magnetic instabilities driven by sheared flow, the effects of turbulence on current generation, and the back-reaction of the self-generated magnetic field on the fluid motion which brings saturation. This presentation describes the engineering design of the experiment, which is a 0.5 m radius spherical vessel, filled with liquid sodium at 150 ^circC. The experiment is designed to achieve a magnetic Reynolds number in excess of 100, which requires approximately 80 Hp of mechanical drive, producing flow velocities in sodium of 15 m/s through impellers. Handling liquid sodium offers a number of technical challenges, but routine techniques have been developed over the past several decades for safely handling large quantities for the fast breeder reactor. The handling strategy is discussed, technical details concerning seals and pressurization are presented, and safety elements are highlighted.

Shock-wave-like structures induced by an exothermic neutralization reaction in miscible fluids

NASA Astrophysics Data System (ADS)

Bratsun, Dmitry; Mizev, Alexey; Mosheva, Elena; Kostarev, Konstantin

2017-11-01

We report shock-wave-like structures that are strikingly different from previously observed fingering instabilities, which occur in a two-layer system of miscible fluids reacting by a second-order reaction A +B →S in a vertical Hele-Shaw cell. While the traditional analysis expects the occurrence of a diffusion-controlled convection, we show both experimentally and theoretically that the exothermic neutralization reaction can also trigger a wave with a perfectly planar front and nearly discontinuous change in density across the front. This wave propagates fast compared with the characteristic diffusion times and separates the motionless fluid and the area with anomalously intense convective mixing. We explain its mechanism and introduce a new dimensionless parameter, which allows to predict the appearance of such a pattern in other systems. Moreover, we show that our governing equations, taken in the inviscid limit, are formally analogous to well-known shallow-water equations and adiabatic gas flow equations. Based on this analogy, we define the critical velocity for the onset of the shock wave which is found to be in the perfect agreement with the experiments.

Individual breathing reactions measured in hemoglobin by hydrogen exchange methods.

PubMed Central

Englander, S W; Calhoun, D B; Englander, J J; Kallenbach, N R; Liem, R K; Malin, E L; Mandal, C; Rogero, J R

1980-01-01

Protein hydrogen exchange is generally believed to register some aspects of internal protein dynamics, but the kind of motion at work is not clear. Experiments are being done to identify the determinants of protein hydrogen exchange and to distinguish between local unfolding and accessibility-penetration mechanisms. Results with small molecules, polynucleotides, and proteins demonstrate that solvent accessibility is by no means sufficient for fast exchange. H-exchange slowing is quite generally connected with intramolecular H-bonding, and the exchange process depends pivotally on transient H-bond cleavage. At least in alpha-helical structures, the cooperative aspect of H-bond cleavage must be expressed in local unfolding reactions. Results obtained by use of a difference hydrogen exchange method appear to provide a direct measurement of transient, cooperative, local unfolding reactions in hemoglobin. The reality of these supposed coherent breathing units is being tested by using the difference H-exchange approach to tritium label the units one at a time and then attempting to locate the tritium by fragmenting the protein, separating the fragments, and testing them for label. Early results demonstrate the feasibility of this approach. PMID:7248462

Comparative study of the degradation of real textile effluents by photocatalytic reactions involving UV/TiO2/H2O2 and UV/Fe2+/H2O2 systems.

PubMed

Garcia, J C; Oliveira, J L; Silva, A E C; Oliveira, C C; Nozaki, J; de Souza, N E

2007-08-17

This work investigated the treatability of real textile effluents using several systems involving advanced oxidation processes (AOPs) such as UV/H2O2, UV/TiO2, UV/TiO2/H2O2, and UV/Fe2+/H2O2. The efficiency of each technique was evaluated according to the reduction levels observed in the UV absorbance of the effluents, COD, and organic nitrogen reduction, as well as mineralization as indicated by the formation of ammonium, nitrate, and sulfate ions. The results indicate the association of TiO2 and H2O2 as the most efficient treatment for removing organic pollutants from textile effluents. In spite of their efficiency, Fenton reactions based treatment proved to be slower and exhibited more complicated kinetics than the ones using TiO2, which are pseudo-first-order reactions. Decolorization was fast and effective in all the experiments despite the fact that only H2O2 was used.

Protein Folding Mechanism of the Dimeric AmphiphysinII/Bin1 N-BAR Domain

PubMed Central

Gruber, Tobias; Balbach, Jochen

2015-01-01

The human AmphyphisinII/Bin1 N-BAR domain belongs to the BAR domain superfamily, whose members sense and generate membrane curvatures. The N-BAR domain is a 57 kDa homodimeric protein comprising a six helix bundle. Here we report the protein folding mechanism of this protein as a representative of this protein superfamily. The concentration dependent thermodynamic stability was studied by urea equilibrium transition curves followed by fluorescence and far-UV CD spectroscopy. Kinetic unfolding and refolding experiments, including rapid double and triple mixing techniques, allowed to unravel the complex folding behavior of N-BAR. The equilibrium unfolding transition curve can be described by a two-state process, while the folding kinetics show four refolding phases, an additional burst reaction and two unfolding phases. All fast refolding phases show a rollover in the chevron plot but only one of these phases depends on the protein concentration reporting the dimerization step. Secondary structure formation occurs during the three fast refolding phases. The slowest phase can be assigned to a proline isomerization. All kinetic experiments were also followed by fluorescence anisotropy detection to verify the assignment of the dimerization step to the respective folding phase. Based on these experiments we propose for N-BAR two parallel folding pathways towards the homodimeric native state depending on the proline conformation in the unfolded state. PMID:26368922

Hybrid stochastic simulation of reaction-diffusion systems with slow and fast dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Strehl, Robert; Ilie, Silvana, E-mail: silvana@ryerson.ca

2015-12-21

In this paper, we present a novel hybrid method to simulate discrete stochastic reaction-diffusion models arising in biochemical signaling pathways. We study moderately stiff systems, for which we can partition each reaction or diffusion channel into either a slow or fast subset, based on its propensity. Numerical approaches missing this distinction are often limited with respect to computational run time or approximation quality. We design an approximate scheme that remedies these pitfalls by using a new blending strategy of the well-established inhomogeneous stochastic simulation algorithm and the tau-leaping simulation method. The advantages of our hybrid simulation algorithm are demonstrated onmore » three benchmarking systems, with special focus on approximation accuracy and efficiency.« less

C7LYC Scintillators and Fast Neutron Spectroscopy

NASA Astrophysics Data System (ADS)

Chowdhury, P.; Brown, T.; Doucet, E.; Lister, C. J.; Wilson, G. L.; D'Olympia, N.; Devlin, M.; Mosby, S.

2016-09-01

Cs2 LiYCl6 (CLYC) scintillators detect both gammas and neutrons with excellent pulse shape discrimination. At UML, fast neutron measurements with a 16-element 1''x1'' CLYC array show promise for low energy nuclear science. CLYC detects fast neutrons via the 35Cl (n,p) reaction (resolution < 10 % at < 8 MeV). In our 7Li-enriched C7LYC, the thermal neutron response from the 6Li(n, α)t reaction is virtually eliminated. The low intrinsic efficiency of CLYC for fast neutrons (< 1 %) is offset by increased solid angle with the array placed near the target, since TOF is not needed for energy resolution. The array was tested at LANL for measuring elastic and inelastic neutron scattering on 56Fe. The incident energy from the white neutron source was measured via TOF, and the scattered neutron energy via the pulse height in CLYC. The array was also tested at CARIBU for measuring beta-delayed neutrons. Larger CLYC crystals are now a reality. Measurements with the first 3'' x 3'' C7LYC crystal are in progress at UML. Results will be discussed in the context of constructing a C7LYC array at FRIB for reaction and decay spectroscopy of neutron-rich fragments. Supported by the NNSA Stewardship Science Academic Alliance Program under Grant DE-NA00013008.

Elucidation of chemical reactions by two-dimensional resonance Raman spectroscopy

NASA Astrophysics Data System (ADS)

Molesky, Brian Paul

It has been shown for many systems, including photosynthetic complexes, molecule-semiconductor interfaces, and bulk heterojunctions, that interaction between electronic and nuclear dynamics may heavily influence chemical mechanisms. Four-wave-mixing spectroscopies (i.e. transient absorption, two-dimensional spectroscopy) provide some insight into such non-equilibrium processes but are limited by the single "population time" available in these types of experiments. In this dissertation, two-dimensional resonance Raman spectroscopy (2DRR) is developed to obtain new information regarding chemical reactions that possess time coincident electronic and nuclear evolution. These new insights can only be acquired through higher-order techniques possessing two "population times". Specifically, the coherent reaction mechanism in triiodide photodissociation and structural heterogeneity in myoglobin are investigated. All multidimensional spectroscopies have roots in the off-resonant multidimensional Raman techniques developed from the late 1980's to the early 2000's. Throughout their development these experiments were plagued with technical challenges that eventually halted further use. In this dissertation it is shown through rigorous experimental tests that the technical challenges of the past are obviated for 2DRR, which is done under electronically resonant conditions. The key is that under electronic resonance the harmonic character of vibrational modes contributes to the signal. Under off-resonant conditions signal generation depends on much weaker effects. Upon absorption of light ranging from 250 to 500 nm triiodide photodissociates into diiodide and radical iodine on the same time scale as the period of triiodide's symmetric stretch, impulsively initiating coherence in the stretching coordinate of diiodide. In this dissertation, the sensitivity of 2DRR to coherent reaction mechanisms is shown by directly measuring, for the first time, how the nonequilibrium geometry of triiodide at the moment of photodissociation determines the stretching frequency of diiodide. The functions of heme proteins involve ligand binding and dissociation events, which are facilitated by the fast exchange of energy between the heme and aqueous solvent. It is known that the heme's propionic acid side chains act as an effective "gateway" for this fast energy exchange. In this dissertation it is shown that the propionic chains within myoglobin posses significant structural heterogeneity, suggesting that this may be an important factor in facilitating the functions of heme proteins.

On nonthermal processes in the core of the Sun

DOE Office of Scientific and Technical Information (OSTI.GOV)

Voronchev, V. T., E-mail: voronchev@srd.sinp.msu.ru

2015-06-15

Nonthermal nuclear processes in the core of the Sun that are induced by fast particles appearing as nonthermalized products of exothermic reactions are discussed. Among other things, properties of 8.7-MeV alpha particles originating from the reaction p + {sup 7}Li → 2α are studied, and their effect on the balance of the processes p + {sup 17}O ai α + {sup 14}N, which close the CNO-II cycle, is determined. It is shown that the effective temperature of fast alpha particles is approximately 1000 times as high as the temperature of the plasma in the Sun’s core and that, under somemore » specific conditions, the rate of the reverse reaction α + {sup 14}N → p + {sup 17}O may be one to two orders of magnitude higher than the rate of the forward reaction p + {sup 17}O → α + {sup 14}N.« less

A New Highly Reactive and Low Lipophilicity Fluorine-18 Labeled Tetrazine Derivative for Pretargeted PET Imaging

PubMed Central

2015-01-01

A new 18F-labeled tetrazine derivative was developed aiming at optimal radiochemistry, fast reaction kinetics in inverse electron-demand Diels–Alder cycloaddition (IEDDA), and favorable pharmacokinetics for in vivo bioorthogonal chemistry. The radiolabeling of the tetrazine was achieved in high yield, purity, and specific activity under mild reaction conditions via conjugation with 5-[18F]fluoro-5-deoxyribose, providing a glycosylated tetrazine derivative with low lipophilicity. The 18F-tetrazine showed fast reaction kinetics toward the most commonly used dienophiles in IEDDA reactions. It exhibited excellent chemical and enzymatic stability in mouse plasma and in phosphate-buffered saline (pH 7.41). Biodistribution in mice revealed favorable pharmacokinetics with major elimination via urinary excretion. The results indicate that the glycosylated 18F-labeled tetrazine is an excellent candidate for in vivo bioorthogonal chemistry applications in pretargeted PET imaging approaches. PMID:26819667

Processes in massive nuclei reactions and the way to complete fusion of reactants. What perspectives for the synthesis of heavier superheavy elements?

NASA Astrophysics Data System (ADS)

Mandaglio, G.; Nasirov, A. K.; Curciarello, F.; De Leo, V.; Romaniuk, M.; Fazio, G.; Giardina, G.

2012-12-01

By using the dinuclear system (DNS) model we determine the capture of reactants at the first stage of reaction, the competition between the DNS decay by the quasifission (QF) and the complete fusion (CF) process up to formation of the compound nucleus (CN) having compact shape. Further evolution of the CN is considered as its fission into two fragments or formation of evaporation residues (ER) by its cooling after emission of neutrons or/and charged light particles. Disappearance of the CN fission barrier due to its fast rotation leads to the fast fission (FF) by formation of fissionlike fragments. The results of calculations for the mass symmetric 136Xe+136Xe reaction, almost mass symmetric 108Mo+144Ba reaction, and mass asymmetric like 24Mg+238U and 34S+248Cm reactions are discussed. The fusion probability PCN calculated for many massive nuclei reactions leading to formation of superheavy nuclei have been analyzed. The reactions which can lead in perspective to the synthesis of superheavy elements in the Z = 120 - 126 range and, eventually, also to heaviest nuclei, are discussed.

Reaction time performance in adolescents with attention deficit/hyperactivity disorder: evidence of inconsistency in the fast and slow portions of the RT distribution.

PubMed

Williams, Benjamin R; Strauss, Esther H; Hultsch, David F; Hunter, Michael A; Tannock, Rosemary

2007-04-01

Inconsistency across trials of 2-choice reaction time (RT) data was analyzed in 72 adolescents (age 12-17 years) within 4 groups differentiated by the presence or absence of attention deficit/hyperactivity disorder (ADHD) and reading difficulties (RD). ADHD participants were more inconsistent (across all trials, and in the slow portion of the RT distribution) than controls, but only when RD was present. Within the fast portion of the RT distribution, ADHD participants were more inconsistent than controls regardless of RD. The results highlight the importance of fluctuations in cognitive performance in ADHD and suggest that there may be independent sources of variation in inconsistency affecting the fast and slow portions of the RT distribution.

[Different responses of DD/He and CC57BR/Mv mice to fasting].

PubMed

Baginskaia, N V; Vasil'eva, E D; Il'nitskaia, S I; Kaledin, V I

2004-03-01

Reaction to fasting of 2 mice strains differing in their sensitivity to spontaneous and induced hepatocarcinogenesis, has been investigated. It was shown that mice of both strains displayed similar stress reaction after 3-day fasting manifested in increase in blood corticosterone level; and decrease in testosterone level. At the same time, both strains demonstrated opposite changes at tissue- and enzyme levels in the liver. It was shown that DD/He mice, highly sensitive to induction of liver tumors, were characterized by significant increase in tyrosine aminotransferase (TAT) activity and reduction of lipid droplets in hepatocytes. CC57BR/Mv mice, demonstrating high frequency of spontaneous hepatomas and insensitive to induction of such tumors, were characterized by a decrease in the TAT activity and fatty infiltration of the liver.

Tetrazine-Based Cycloadditions: Application to Pretargeted Live Cell Imaging

PubMed Central

Devaraj, Neal K.; Weissleder, Ralph; Hilderbrand, Scott A.

2009-01-01

Bioorthogonal tetrazine cycloadditions have been applied to live cell labeling. Tetrazines react irreversibly with the strained dienophile norbornene forming dihydropyrazine products and dinitrogen. The reaction is high yielding, selective, and fast in aqueous media. Her2/neu receptors on live human breast cancer cells were targeted with a monoclonal antibody modified with a norbornene. Tetrazines conjugated to a near-infrared fluorochrome selectively and rapidly label the pretargeted antibody in the presence of serum. These findings indicate that this chemistry is suitable for in vitro labeling experiments, and suggests that it may prove a useful strategy for in vivo pretargeted imaging under numerous modalities. PMID:19053305

Analysis of off-axis incoherent digital holographic microscopy

NASA Astrophysics Data System (ADS)

Quan, Xiangyu; Matoba, Osamu; Awatsuji, Yasuhiro

2017-05-01

Off-axis incoherent digital holography that enables single-shot three-dimensional (3D) distribution is introduced in the paper. Conventional fluorescence microscopy images 3D fields by sectioning, this prevents instant imaging of fast reactions of living cells. In order to realize digital holography from incoherent light, we adapted common path configuration to achieve the best temporal coherence. And by introducing gratings, we shifted the direction of each light to achieve off-axis interference. Simulations and preliminary experiments using LED light have confirmed the results. We expect to use this method to realize 3D phase imaging and fluorescent imaging at the same time from the same biological sample.

Sensitivity and Uncertainty Analysis of the GFR MOX Fuel Subassembly

NASA Astrophysics Data System (ADS)

Lüley, J.; Vrban, B.; Čerba, Š.; Haščík, J.; Nečas, V.; Pelloni, S.

2014-04-01

We performed sensitivity and uncertainty analysis as well as benchmark similarity assessment of the MOX fuel subassembly designed for the Gas-Cooled Fast Reactor (GFR) as a representative material of the core. Material composition was defined for each assembly ring separately allowing us to decompose the sensitivities not only for isotopes and reactions but also for spatial regions. This approach was confirmed by direct perturbation calculations for chosen materials and isotopes. Similarity assessment identified only ten partly comparable benchmark experiments that can be utilized in the field of GFR development. Based on the determined uncertainties, we also identified main contributors to the calculation bias.

Protein biomarker discovery and fast monitoring for the identification and detection of Anisakids by parallel reaction monitoring (PRM) mass spectrometry.

PubMed

Carrera, Mónica; Gallardo, José M; Pascual, Santiago; González, Ángel F; Medina, Isabel

2016-06-16

Anisakids are fish-borne parasites that are responsible for a large number of human infections and allergic reactions around the world. World health organizations and food safety authorities aim to control and prevent this emerging health problem. In the present work, a new method for the fast monitoring of these parasites is described. The strategy is divided in three steps: (i) purification of thermostable proteins from fish-borne parasites (Anisakids), (ii) in-solution HIFU trypsin digestion and (iii) monitoring of several peptide markers by parallel reaction monitoring (PRM) mass spectrometry. This methodology allows the fast detection of Anisakids in <2h. An affordable assay utilizing this methodology will facilitate testing for regulatory and safety applications. The work describes for the first time, the Protein Biomarker Discovery and the Fast Monitoring for the identification and detection of Anisakids in fishery products. The strategy is based on the purification of thermostable proteins, the use of accelerated in-solution trypsin digestions under an ultrasonic field provided by High-Intensity Focused Ultrasound (HIFU) and the monitoring of several peptide biomarkers by Parallel Reaction Monitoring (PRM) Mass Spectrometry in a linear ion trap mass spectrometer. The workflow allows the unequivocal detection of Anisakids, in <2h. The present strategy constitutes the fastest method for Anisakids detection, whose application in the food quality control area, could provide to the authorities an effective and rapid method to guarantee the safety to the consumers. Copyright © 2016 Elsevier B.V. All rights reserved.

Fast Atom Bombardment Mass Spectrometry.

ERIC Educational Resources Information Center

Rinehart, Kenneth L., Jr.

1982-01-01

Discusses reactions and characteristics of fast atom bombardment (FAB) mass spectroscopy in which samples are ionized in a condensed state by bombardment with xenon or argon atoms, yielding positive/negative secondary ions. Includes applications of FAB to structural problems and considers future developments using the technique. (Author/JN)

Fast neutron measurements using Cs2LiYCl6:Ce (CLYC) scintillator

NASA Astrophysics Data System (ADS)

Smith, M. B.; Achtzehn, T.; Andrews, H. R.; Clifford, E. T. H.; Forget, P.; Glodo, J.; Hawrami, R.; Ing, H.; O'Dougherty, P.; Shah, K. S.; Shirwadkar, U.; Soundara-Pandian, L.; Tower, J.

2015-06-01

Samples of Cs2LiYCl6:Ce (CLYC) scintillator have been characterized using monoenergetic neutron beams in the energy range 4.1-5.5 MeV. Four crystals with dimensions (thickness×diameter) of 1″×1″, 1″×2″, and 2″×2″ were evaluated, including one crystal with natural concentrations of Li isotopes and three that were enriched in 6Li. The intrinsic efficiency of CLYC for fast-neutron detection has been determined for the natural-Li crystal. These measurements were translated into reaction cross-sections, and show good agreement with available cross-section data for neutron interactions with the 35Cl component of CLYC. Furthermore, it is shown that the charged-particle energy released in the fast-neutron reactions on 35Cl varies linearly with the energy of the incoming neutron. These results verify the efficacy of CLYC for fast-neutron spectroscopy in a range of applications.

Direct visuomotor mapping for fast visually-evoked arm movements.

PubMed

Reynolds, Raymond F; Day, Brian L

2012-12-01

In contrast to conventional reaction time (RT) tasks, saccadic RT's to visual targets are very fast and unaffected by the number of possible targets. This can be explained by the sub-cortical circuitry underlying eye movements, which involves direct mapping between retinal input and motor output in the superior colliculus. Here we asked if the choice-invariance established for the eyes also applies to a special class of fast visuomotor responses of the upper limb. Using a target-pointing paradigm we observed very fast reaction times (<150 ms) which were completely unaffected as the number of possible target choices was increased from 1 to 4. When we introduced a condition of altered stimulus-response mapping, RT went up and a cost of choice was observed. These results can be explained by direct mapping between visual input and motor output, compatible with a sub-cortical pathway for visual control of the upper limb. Copyright © 2012 Elsevier Ltd. All rights reserved.

Dynamic Pore-scale Reservoir-condition Imaging of Reaction in Carbonates Using Synchrotron Fast Tomography

PubMed Central

Menke, Hannah P.; Andrew, Matthew G.; Vila-Comamala, Joan; Rau, Christoph; Blunt, Martin J.; Bijeljic, Branko

2017-01-01

Underground storage permanence is a major concern for carbon capture and storage. Pumping CO2 into carbonate reservoirs has the potential to dissolve geologic seals and allow CO2 to escape. However, the dissolution processes at reservoir conditions are poorly understood. Thus, time-resolved experiments are needed to observe and predict the nature and rate of dissolution at the pore scale. Synchrotron fast tomography is a method of taking high-resolution time-resolved images of complex pore structures much more quickly than traditional µ-CT. The Diamond Lightsource Pink Beam was used to dynamically image dissolution of limestone in the presence of CO2-saturated brine at reservoir conditions. 100 scans were taken at a 6.1 µm resolution over a period of 2 hours. The images were segmented and the porosity and permeability were measured using image analysis and network extraction. Porosity increased uniformly along the length of the sample; however, the rate of increase of both porosity and permeability slowed at later times. PMID:28287529

Dynamic Pore-scale Reservoir-condition Imaging of Reaction in Carbonates Using Synchrotron Fast Tomography.

PubMed

Menke, Hannah P; Andrew, Matthew G; Vila-Comamala, Joan; Rau, Christoph; Blunt, Martin J; Bijeljic, Branko

2017-02-21

Underground storage permanence is a major concern for carbon capture and storage. Pumping CO2 into carbonate reservoirs has the potential to dissolve geologic seals and allow CO2 to escape. However, the dissolution processes at reservoir conditions are poorly understood. Thus, time-resolved experiments are needed to observe and predict the nature and rate of dissolution at the pore scale. Synchrotron fast tomography is a method of taking high-resolution time-resolved images of complex pore structures much more quickly than traditional µ-CT. The Diamond Lightsource Pink Beam was used to dynamically image dissolution of limestone in the presence of CO2-saturated brine at reservoir conditions. 100 scans were taken at a 6.1 µm resolution over a period of 2 hours. The images were segmented and the porosity and permeability were measured using image analysis and network extraction. Porosity increased uniformly along the length of the sample; however, the rate of increase of both porosity and permeability slowed at later times.

Cyclic voltammetry of fast conducting electrocatalytic films.

PubMed

Costentin, Cyrille; Savéant, Jean-Michel

2015-07-15

In the framework of contemporary energy challenges, cyclic voltammetry is a particularly useful tool for deciphering the kinetics of catalytic films. The case of fast conducting films is analyzed, whether conduction is of the ohmic type or proceeds through rapid electron hopping. The rate-limiting factors are then the diffusion of the substrate in solution and through the film as well as the catalytic reaction itself. The dimensionless combination of the characteristics of these factors allows reducing the number of actual parameters to a maximum of two. The kinetics of the system may then be fully analyzed with the help of a kinetic zone diagram. Observing the variations of the current-potential responses with operational parameters such as film thickness, the potential scan rate and substrate concentration allows a precise assessment of the interplay between these factors and of the values of the rate controlling factors. A series of thought experiments is described in order to render the kinetic analysis more palpable.

The influence of cricket fast bowlers' front leg technique on peak ground reaction forces.

PubMed

Worthington, Peter; King, Mark; Ranson, Craig

2013-01-01

High ground reaction forces during the front foot contact phase of the bowling action are believed to be a major contributor to the high prevalence of lumbar stress fractures in fast bowlers. This study aimed to investigate the influence of front leg technique on peak ground reaction forces during the delivery stride. Three-dimensional kinematic data and ground reaction forces during the front foot contact phase were captured for 20 elite male fast bowlers. Eight kinematic parameters were determined for each performance, describing run-up speed and front leg technique, in addition to peak force and time to peak force in the vertical and horizontal directions. There were substantial variations between bowlers in both peak forces (vertical 6.7 ± 1.4 body weights; horizontal (braking) 4.5 ± 0.8 body weights) and times to peak force (vertical 0.03 ± 0.01 s; horizontal 0.03 ± 0.01 s). These differences were found to be linked to the orientation of the front leg at the instant of front foot contact. In particular, a larger plant angle and a heel strike technique were associated with lower peak forces and longer times to peak force during the front foot contact phase, which may help reduce the likelihood of lower back injuries.

Metal-free bioconjugation reactions.

PubMed

van Berkel, Sander S; van Delft, Floris L

2013-01-01

The recent strategy to apply chemical reactions to address fundamental biological questions has led to the emergence of entirely new conjugation reactions that are fast and irreversible, yet so mild and selective that they can be performed even in living cells or organisms. These so-called bioorthogonal reactions open novel avenues, not only in chemical biology research, but also in many other life sciences applications, including the modulation of biopharmaceuticals by site-specific modification approaches.

Pulsed Neurton Elemental On-Line Material Analyzer

DOEpatents

Vourvopoulos, George

2002-08-20

An on-line material analyzer which utilizes pulsed neutron generation in order to determine the composition of material flowing through the apparatus. The on-line elemental material analyzer is based on a pulsed neutron generator. The elements in the material interact with the fast and thermal neutrons produced from the pulsed generator. Spectra of gamma-rays produced from fast neutrons interacting with elements of the material are analyzed and stored separately from spectra produced from thermal neutron reactions. Measurements of neutron activation takes place separately from the above reactions and at a distance from the neutron generator. A primary passageway allows the material to flow through at a constant rate of speed and operators to provide data corresponding to fast and thermal neutron reactions. A secondary passageway meters the material to allow for neutron activation analysis. The apparatus also has the capability to determine the density of the flowed material. Finally, the apparatus continually utilizes a neutron detector in order to normalize the yield of the gamma ray detectors and thereby automatically calibrates and adjusts the spectra data for fluctuations in neutron generation.

Particle velocity measurements of the reaction zone in nitromethane

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sheffield, S. A.; Engelke, R. P.; Alcon, R. R.

2002-01-01

The detonation reaction-zone length in neat, deuterated, and chemically sensitized nitromethane (NM) has been measured by using several different laser-based velocity interferometry systems. The experiments involved measuring the particle velocity history at a NM/PMMA (polymethylmethacrylate) window interface during the time a detonation in the NM interacted with the interface. Initially, Fabry-Perot interferometry was used, but, because of low time resolution (>5 ns), several different configurations of VISAR interferometry were subsequently used. Early work was done with VISARs with a time resolution of about 3 ns. By making changes to the recording system, we were able to improve this to {approx}1more » ns. Profiles measured at the NM/PMMA interface agree with the ZND theory, in that a spike ({approx}2.45 mm/{micro}s) is measured that is consistent with an extrapolated reactant NM Hugoniot matched to the PMMA window. The spike is rather sharp, followed by a rapid drop in particle velocity over a time of 5 to 10 ns; this is evidence of early fast reactions. Over about 50 ns, a much slower particle velocity decrease occurs to the assumed CJ condition - indicating a total reaction zone length of {approx}300 {micro}m. When the NM is chemically changed, such as replacing the hydrogen atoms with deuterium or chemically sensitizing with a base, some changes are observed in the early part of the reaction zone.« less

KSC-03pd0137

NASA Image and Video Library

2003-01-16

KENNEDY SPACE CENTER, FLA. - In this view, Space Shuttle Columbia is almost dwarfed by the rolling clouds of smoke and steam across Launch Pad 39A. Following a flawless and uneventful countdown, launch of Columbia on mission STS-107 occurred on-time at 10:39 a.m. EST. The 16-day research mission will include FREESTAR (Fast Reaction Experiments Enabling Science, Technology, Applications and Research) and the SHI Research Double Module (SHI/RDM), known as SPACEHAB. Experiments on the module range from material sciences to life sciences.. Landing of Columbia is scheduled at about 8:53 a.m. EST on Saturday, Feb. 1. This mission is the first Shuttle mission of 2003. Mission STS-107 is the 28th flight of the orbiter Columbia and the 113th flight overall in NASA's Space Shuttle program. [Photo courtesy of Scott Andrews

Evaluation of Facility Management by Multivariate Statistics - Factor Analysis

NASA Astrophysics Data System (ADS)

Singovszki, Miloš; Vranayová, Zuzana

2013-06-01

Facility management is evolving, there is no exact than other sciences, although its development is fast forward. The knowledge and practical skills in facility management is not replaced, on the contrary, they complement each other. The existing low utilization of science in the field of facility management is mainly caused by the management of support activities are many variables and prevailing immediate reaction to the extraordinary situation arising from motives of those who have substantial experience and years of proven experience. Facility management is looking for a system that uses organized knowledge and will form the basis, which grows from a wide range of disciplines. Significant influence on its formation as a scientific discipline is the "structure, which follows strategy". The paper deals evaluate technology building as part of an facility management by multivariate statistic - factor analysis.

Early stages of soldering reactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lord, R.A.; Umantsev, A.

2005-09-15

An experiment on the early stages of intermetallic compound layer growth during soldering and its theoretical analysis were conducted with the intent to study the controlling factors of the process. An experimental technique based on fast dipping and pulling of a copper coupon in liquid solder followed by optical microscopy allowed the authors to study the temporal behavior of the sample on a single micrograph. The technique should be of value for different areas of metallurgy because many experiments on crystallization may be described as the growth of a layer of intermediate phase. Comparison of the experimental results with themore » theoretical calculations allowed one to identify the kinetics of dissolution as the rate-controlling mechanism on the early stages and measure the kinetic coefficient of dissolution. A popular model of intermetallic compound layer structure coarsening is discussed.« less

Feasibility of Colliding-beam fast-fission reactor via 238U80++238 U80+ --> 4 FF + 5n + 430 MeV beam with suppressed plutonium and direct conversion of fission fragment (FF) energy into electricity and/or Rocket propellant with high specific impulse

NASA Astrophysics Data System (ADS)

Maglich, Bogdan; Hester, Tim; Calsec Collaboration

2015-10-01

Uranium-uranium colliding beam experiment1, used fully ionized 238U92+ at energy 100GeV --> <-- 100 GeV, has measured total σ = 487 b. Reaction rate of colliding beams is proportional to neutron flux-squared. First functional Auto-Collider3-6, a compact Migma IV, 1 m in diameter, had self-colliding deuterons, D+, of 725 KeV --> <-- 725 KeV, resulting in copious production of T and 3He. U +U Autocollider``EXYDER'' will use strong-focusing magnet7, which would increase reaction rate by 104. 80 times ionized U ions accelerated through 3 MV accelerator, will collide beam 240 MeV --> <-- 240 MeV. Reaction is: 238U80+ +238 U80+ --> 4 FF + 5n + 430 MeV. Using a simple model1 fission σf ~ 100 b. Suppression of Pu by a factor of 106 will be achieved because NO thermal neutron fission can take place; only fast, 1-3 MeV, where σabs is negligible. Direct conversion of 95% of 430 MeV produced is carried by electrically charged FFs which are magnetically funneled for direct conversion of energy of FFs via electrostatic decelerators4,11. 90% of 930 MeV is electrically recoverable. Depending on the assumptions, we project electric _ power density production of 20 to 200 MWe m-3, equivalent to Thermal 1.3 - 13 GWthm-3. If one-half of unburned U is used for propulsion while rest powers system, heavy FF ion mass provides specific impulse Isp = 106 sec., 103 times higher than current rocket engines.

Fast Photochemistry of Prototypical Phytochromes—A Species vs. Subunit Specific Comparison

PubMed Central

Ihalainen, Janne A.; Takala, Heikki; Lehtivuori, Heli

2015-01-01

Phytochromes are multi-domain red light photosensor proteins, which convert red light photons to biological activity utilizing the multitude of structural and chemical reactions. The steady increase in structural information obtained from various bacteriophytochromes has increased understanding about the functional mechanism of the photochemical processes of the phytochromes. Furthermore, a number of spectroscopic studies have revealed kinetic information about the light-induced reactions. The spectroscopic changes are, however, challenging to connect with the structural changes of the chromophore and the protein environment, as the excited state properties of the chromophores are very sensitive to the small structural and chemical changes of their environment. In this article, we concentrate on the results of ultra-fast spectroscopic experiments which reveal information about the important initial steps of the photoreactions of the phytochromes. We survey the excited state properties obtained during the last few decades. The differences in kinetics between different research laboratories are traditionally related to the differences of the studied species. However, we notice that the variation in the excited state properties depends on the subunit composition of the protein as well. This observation illustrates a feedback mechanism from the other domains to the chromophore. We propose that two feedback routes exist in phytochromes between the chromophore and the remotely located effector domain. The well-known connection between the subunits is the so-called tongue region, which changes its secondary structure while changing the light-activated state of the system. The other feedback route which we suggest is less obvious, it is made up of several water molecules ranging from the dimer interface to the vicinity of the chromophore, allowing even proton transfer reactions nearby the chromophore. PMID:26779488

Evaluation of layered zinc hydroxide nitrate and zinc/nickel double hydroxide salts in the removal of chromate ions from solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bortolaz de Oliveira, Henrique; Wypych, Fernando, E-mail: wypych@ufpr.br

Layered zinc hydroxide nitrate (ZnHN) and Zn/Ni layered double hydroxide salts were synthesized and used to remove chromate ions from solutions at pH 8.0. The materials were characterized by many instrumental techniques before and after chromate ion removal. ZnHN decomposed after contact with the chromate solution, whereas the layered structure of Zn/Ni hydroxide nitrate (Zn/NiHN) and Zn/Ni hydroxide acetate (Zn/NiHA) remained their layers intact after the topotactic anionic exchange reaction, only changing the basal distances. ZnHN, Zn/NiHN, and Zn/NiHA removed 210.1, 144.8, and 170.1 mg of CrO{sub 4}{sup 2−}/g of material, respectively. Although the removal values obtained for Zn/NiHN andmore » Zn/NiHA were smaller than the values predicted for the ideal formulas of the solids (194.3 and 192.4 mg of CrO{sub 4}{sup 2−}/g of material, respectively), the measured capacities were higher than the values achieved with many materials reported in the literature. Kinetic experiments showed the removal reaction was fast. To facilitate the solid/liquid separation process after chromium removal, Zn/Ni layered double hydroxide salts with magnetic supports were also synthesized, and their ability to remove chromate was evaluated. - Highlights: • Zinc hydroxide nitrate and Zn/Ni hydroxide nitrate or acetate were synthesized. • The interlayer anions were replaced by chromate anions at pH=8.0. • Only Zn/Ni hydroxide nitrate or acetate have the structure preserved after exchange. • Fast exchange reaction and high capacity of chromate removal were observed. • Magnetic materials were obtained to facilitate the solids removal the from solutions.« less

Screening acidic zeolites for catalytic fast pyrolysis of biomass and its components

USDA-ARS?s Scientific Manuscript database

Zeolites have been shown to effectively promote cracking reactions during pyrolysis resulting in highly deoxygenated and hydrocarbon-rich compounds and stable pyrolysis oil product. Py/GC-MS was employed to study the catalytic fast pyrolysis of lignocellulosic biomass samples comprising oak, corn...

Is fasting safe? A chart review of adverse events during medically supervised, water-only fasting.

PubMed

Finnell, John S; Saul, Bradley C; Goldhamer, Alan C; Myers, Toshia R

2018-02-20

Evidence suggests that fasting, during which only water is consumed, results in potentially health promoting physiological effects. However, peer-reviewed research assessing the safety of water-only fasting is lacking. To address this, we conducted a chart review to describe adverse events (AEs) that occurred during medically supervised, water-only fasting. Electronic charts from patient visits to a residential medical facility from 2006 to 2011 were reviewed. Patients who were at least 21 years of age and water-only fasted for ≥2 consecutive days with a refeeding period equal to half of the fast length were included. Out of 2539 charts, 768 visits met our inclusion and exclusion criteria. AEs were abstracted from chart notes and classified according to CTCAE (v4.03) and MedDRA (v12.1) terminology. Descriptive analysis of AEs is reported. During the protocol period, the highest grade AE (HGAE) in 555 visits was a grade 2 event or lower, in 212 visits it was a grade 3 event, in 1 visit it was a grade 4 event, and there were no grade 5 events. There were 2 (0.002%) visits with a serious adverse event (SAE). The majority of AEs identified were mild (n = 4490, 75%) in nature and known reactions to fasting. To our knowledge, this is the most comprehensive analysis of AEs experienced during medically supervised, water-only fasting conducted to date. Overall, our data indicate that the majority of AEs experienced were mild to moderate and known reactions to fasting. This suggests that the protocol used in this study can be safely implemented in a medical setting with minimal risk of a SAE.

The software-defined fast post-processing for GEM soft x-ray diagnostics in the Tungsten Environment in Steady-state Tokamak thermal fusion reactor

NASA Astrophysics Data System (ADS)

Krawczyk, Rafał Dominik; Czarski, Tomasz; Linczuk, Paweł; Wojeński, Andrzej; Kolasiński, Piotr; GÄ ska, Michał; Chernyshova, Maryna; Mazon, Didier; Jardin, Axel; Malard, Philippe; Poźniak, Krzysztof; Kasprowicz, Grzegorz; Zabołotny, Wojciech; Kowalska-Strzeciwilk, Ewa; Malinowski, Karol

2018-06-01

This article presents a novel software-defined server-based solutions that were introduced in the fast, real-time computation systems for soft X-ray diagnostics for the WEST (Tungsten Environment in Steady-state Tokamak) reactor in Cadarache, France. The objective of the research was to provide a fast processing of data at high throughput and with low latencies for investigating the interplay between the particle transport and magnetohydrodynamic activity. The long-term objective is to implement in the future a fast feedback signal in the reactor control mechanisms to sustain the fusion reaction. The implemented electronic measurement device is anticipated to be deployed in the WEST. A standalone software-defined computation engine was designed to handle data collected at high rates in the server back-end of the system. Signals are obtained from the front-end field-programmable gate array mezzanine cards that acquire and perform a selection from the gas electron multiplier detector. A fast, authorial library for plasma diagnostics was written in C++. It originated from reference offline MATLAB implementations. They were redesigned for runtime analysis during the experiment in the novel online modes of operation. The implementation allowed the benchmarking, evaluation, and optimization of plasma processing algorithms with the possibility to check the consistency with reference computations written in MATLAB. The back-end software and hardware architecture are presented with data evaluation mechanisms. The online modes of operation for the WEST are discussed. The results concerning the performance of the processing and the introduced functionality are presented.

Comprehensive Analyzer for Biogenic Volatile Organic Compounds Detected as Total Ozone Reactivity

NASA Astrophysics Data System (ADS)

Matsumoto, J.

2011-12-01

Volatile organic compounds, VOCs, are emitted from various sources into the atmosphere. Through the reactions of VOCs with atmospheric radicals (eg. daytime OH, nighttime NO3, and all-day O3), formation of photochemical oxidants and secondary organic aerosols, SOA, are important. To investigate the mechanisms of reactions in the atmosphere and to control such secondary products effectively, it is essential to capture the behavior of VOC emission with the radical reactivity of VOCs considered. Recently, in addition to OH reactions of anthropogenic VOCs, SOA formation due to ozonolysis of biogenic VOCs (BVOCs) is one of the hottest topics in the atmospheric chemistry. It is difficult to analyze all the species individually due to the great number of VOCs. In this study, a comprehensive tool for capturing the total reactivity of BVOCs with ozone is realized utilizing a chemiluminescence ozone analyzer. A sensitive and fast-response ozone analyzer was developed based on an existing chemiluminescent NO analyzer (CLD). The CLD-O3 analyzer was used to monitor the fast variation of O3 in the sample of the VOC + O3 experiment. When O3 was added to the VOC sample, the reduction of O3 due to VOC was monitored and the O3 reactivity RO3 was determined with the reaction time considered. Dependence of the response of analyzer on the reaction time and the reactivity of sample was examined and confirmed as reasonable. As a result, VOCs can be detected at the level of ppbv (as limonene, S/N = 3). The detection limit of RO3 was 0.0002 s-1. For the test of ozone reactivity measurement of BVOCs emitted from the real vegetation, variation of ozone reactivity was significantly observed after the nursery was put into a closed chamber. In addition, just after the leaves of the plant were physically stimulated, observed reactivity increased. It was experimentally confirmed that stimulus to the leaves of the plant resulted in the increase of total BVOC emission. Consequently, it was confirmed that the analyzer be useful to investigate the real-time analysis of BVOC emission from the vegetation at the level of ppbv.

Monitoring mechanistic details in the synthesis of pyrimidines via real-time, ultrafast multidimensional NMR spectroscopy

PubMed Central

Pardo, Zulay D.; Olsen, Greg; Fernández-Valle, María Encarnación; Frydman, Lucio; Martínez-Álvarez, Roberto; Herrera, Antonio

2016-01-01

Recent years have witnessed unprecedented advances in the development of fast multidimensional NMR acquisition techniques. This progress could open valuable new opportunities for the elucidation of chemical and biochemical processes. This study demonstrates one such capability, with the first real-time 2D dynamic analysis of a complex organic reaction relying on unlabeled substrates. Implementing such measurements required the development of new ultrafast 2D methods, capable of monitoring multiple spectral regions of interest as the reaction progressed. The alternate application of these acquisitions in an interleaved, excitation-optimized fashion, allowed us to extract new structural and dynamic insight concerning the reaction between aliphatic ketones and triflic anhydride in the presence of nitriles to yield alkylpyrimidines. Up to 2500 2D NMR data sets were thus collected over the course of this nearly 100 min long reaction, in an approach resembling that used in functional magnetic resonance imaging. With the aid of these new frequency-selective low-gradient-strength experiments, supplemented by chemical shift calculations of the spectral coordinates observed in the 2D heteronuclear correlations, previously postulated intermediates involved in the alkylpyrimidine formation process could be confirmed, and hitherto undetected ones were revealed. The potential and limitations of the resulting methods are discussed. PMID:22283498

Oxidative degradation of pentachlorophenol by permanganate for ISCO application.

PubMed

Matta, Roger; Chiron, Serge

2018-03-01

Potassium permanganate (KMnO 4 ) has been an effective technology for the in situ chemical oxidation (ISCO) of many organic compounds including chlorinated alkanes and alkenes, but it has rarely been applied for oxidizing aromatic organochlorines. This study confirms the ability of permanganate to oxidize an aromatic chlorinated compound, pentachlorophenol (PCP), in an efficient manner at neutral pH. The rate of the reaction between KMnO 4 and PCP was calculated and the results indicated that the reaction between PCP and permanganate is relatively fast with a second-order rate constant k″ ∼ 30 M -1  s -1 . Besides the kinetic aspect, the authors identified the main reaction by-products, and proposed a possible reaction mechanism scheme. The general pathway shows the formation of chlorinated intermediates, and ultimately, the complete mineralization to chloride, water, and CO 2 confirmed by total organic carbon and chloride measurement in solution. Flow-through column experiments, consisting of flushing a PCP-contaminated sandy or natural soil with oxidant, showed the good ability of permanganate to eliminate the pollutant. After 24 h of treatment, 77% and 56% of PCP abatement were obtained for sandy and natural soil, respectively. These findings show the high potential of permanganate for the in situ remediation of aromatic organochlorine contaminated soils.

Biogeochemical metabolic modeling of methanogenesis by Methanosarcina barkeri

NASA Astrophysics Data System (ADS)

Jensvold, Z. D.; Jin, Q.

2015-12-01

Methanogenesis, the biological process of methane production, is the final step of natural organic matter degradation. In studying natural methanogenesis, important questions include how fast methanogenesis proceeds and how methanogens adapt to the environment. To address these questions, we propose a new approach - biogeochemical reaction modeling - by simulating the metabolic networks of methanogens. Biogeochemical reaction modeling combines geochemical reaction modeling and genome-scale metabolic modeling. Geochemical reaction modeling focuses on the speciation of electron donors and acceptors in the environment, and therefore the energy available to methanogens. Genome-scale metabolic modeling predicts microbial rates and metabolic strategies. Specifically, this approach describes methanogenesis using an enzyme network model, and computes enzyme rates by accounting for both the kinetics and thermodynamics. The network model is simulated numerically to predict enzyme abundances and rates of methanogen metabolism. We applied this new approach to Methanosarcina barkeri strain fusaro, a model methanogen that makes methane by reducing carbon dioxide and oxidizing dihydrogen. The simulation results match well with the results of previous laboratory experiments, including the magnitude of proton motive force and the kinetic parameters of Methanosarcina barkeri. The results also predict that in natural environments, the configuration of methanogenesis network, including the concentrations of enzymes and metabolites, differs significantly from that under laboratory settings.

Inverse electron demand Diels-Alder reactions in chemical biology.

PubMed

Oliveira, B L; Guo, Z; Bernardes, G J L

2017-08-14

The emerging inverse electron demand Diels-Alder (IEDDA) reaction stands out from other bioorthogonal reactions by virtue of its unmatchable kinetics, excellent orthogonality and biocompatibility. With the recent discovery of novel dienophiles and optimal tetrazine coupling partners, attention has now been turned to the use of IEDDA approaches in basic biology, imaging and therapeutics. Here we review this bioorthogonal reaction and its promising applications for live cell and animal studies. We first discuss the key factors that contribute to the fast IEDDA kinetics and describe the most recent advances in the synthesis of tetrazine and dienophile coupling partners. Both coupling partners have been incorporated into proteins for tracking and imaging by use of fluorogenic tetrazines that become strongly fluorescent upon reaction. Selected notable examples of such applications are presented. The exceptional fast kinetics of this catalyst-free reaction, even using low concentrations of coupling partners, make it amenable for in vivo radiolabelling using pretargeting methodologies, which are also discussed. Finally, IEDDA reactions have recently found use in bioorthogonal decaging to activate proteins or drugs in gain-of-function strategies. We conclude by showing applications of the IEDDA reaction in the construction of biomaterials that are used for drug delivery and multimodal imaging, among others. The use and utility of the IEDDA reaction is interdisciplinary and promises to revolutionize chemical biology, radiochemistry and materials science.

Serpentinization of Olivine by Seawater: A Flow-Through Experiment

NASA Astrophysics Data System (ADS)

Gouze, P.; Luquot, L.; Andreani, M.; Godard, M.; Gibert, B.

2011-12-01

The mantle exposed at slow spreading ridges is pervasively serpentinized, down to ca. 5km according to geophysical data. The onset and durability of this hydration process require efficient penetration and renewal of fluids at the mineral-fluid interface. However, the mechanisms of fluid penetration are still poorly understood. Moreover, serpentinization is exovolumic, if a mass-conservative system is assumed, or chemical elements are leached out to conserve rock volume. Thus, the extent of serpentinization depends of the system capacity to create space and/or to drive mass transfers. In order to investigate these hydrodynamic and chemical mechanisms, we did a laboratory experiment during which seawater was injected in a sintered San Carlos olivine sample at conditions representative of low temperature ultramafic hydrothermal systems. The percolation-reaction experiment was carried out at 19 MPa and 190°C; the initial water flow was set at 0.2 mL/h then decreased down to 0.06 mL/h after 8 days. During the experiment (23 days), permeability decreased continuously. The composition of the outlet fluid varied strongly during the first 24h of the experiment, then reached equilibrium values. The high Si concentrations in outlet fluids indicated steady olivine dissolution, while their low Fe and Mg concentrations suggested precipitation of Fe- and Mg-rich mineral phases. The reacted sample acquired a reddish brown color, indicating oxidation reactions occurred. Optical observation and SEM imaging revealed the presence of a soft white material filling the pores of the reacted sample. It was identified as a poorly crystallized serpentine type material by AEM/TEM analyses. This proto-serpentine is intimately associated to <100 nm Fe-oxide patches (probably hematite) growing on the olivine surface. We interpret the precipitation of this proto-serpentine together with Fe-oxides throughout the sample as marking the early stages of serpentinization. The fluid composition not being modified by changes in fluid flow, we posit that olivine serpentinization is not controlled by elemental transport and/or by chemical kinetics, but takes place at-equilibrium; the reaction velocity is very fast and independent on the changes in the reaction surface area. Indeed, mass balance calculations indicate that more than 15 wt. % olivine was dissolved while the same mass of proto-serpentine was formed; concurrently, porosity decreased from ˜ 12% to 5 %. We infer that the structure of the newly formed proto-serpentine resulted in the clogging of fluid paths and explain the decrease of permeability during experiments. Yet the loose structure of the proto-serpentine allows maintaining a connected pore structure ensuring the perennial renewing (diffusion and/or advection) of the reactants at the reaction surfaces. These experimental results are used to constrain numerical reactive transport models and better understand the scale and efficiency of serpentinization reactions (effective reaction rates in porous/fractured media) at the scale of spreading ridges.

Modeling hexavalent chromium reduction in groundwater in field-scale transport and laboratory batch experiments

USGS Publications Warehouse

Friedly, J.C.; Davis, J.A.; Kent, D.B.

1995-01-01

A plausible and consistent model is developed to obtain a quantitative description of the gradual disappearance of hexavalent chromium (Cr(VI)) from groundwater in a small-scale field tracer test and in batch kinetic experiments using aquifer sediments under similar chemical conditions. The data exhibit three distinct timescales. Fast reduction occurs in well-stirred batch reactors in times much less than 1 hour and is followed by slow reduction over a timescale of the order of 2 days. In the field, reduction occurs on a timescale of the order of 8 days. The model is based on the following hypotheses. The chemical reduction reaction occurs very fast, and the longer timescales are caused by diffusion resistance. Diffusion into the secondary porosity of grains causes the apparent slow reduction rate in batch experiments. In the model of the field experiments, the reducing agent, heavy Fe(II)-bearing minerals, is heterogeneously distributed in thin strata located between larger nonreducing sand lenses that comprise the bulk of the aquifer solids. It is found that reducing strata of the order of centimeters thick are sufficient to contribute enough diffusion resistance to cause the observed longest timescale in the field. A one-dimensional advection/dispersion model is formulated that describes the major experimental trends. Diffusion rates are estimated in terms of an elementary physical picture of flow through a stratified medium containing identically sized spherical grains. Both reduction and sorption reactions are included. Batch simulation results are sensitive to the fraction of reductant located at or near the surface of grains, which controls the amount of rapid reduction, and the secondary porosity, which controls the rate of slow reduction observed in batch experiments. Results of Cr(VI) transport simulations are sensitive to the thickness and relative size of the reducing stratum. Transport simulation results suggest that nearly all of the reductant must be located in the reducing stratum. Within this context and as long as there is adequate reductive capacity present, the transport simulation results are insensitive to the parameters important for the batch simulations. The results illustrate how a combination of field measurements and batch laboratory studies can be used to improve predictive modeling of contaminant transport.

Novel method for fast characterization of high-surface-area electrocatalytic materials using carbon fiber microelectrode.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Strmcnik, D.; Hodnik, N.; Hocevar, S. B.

2010-02-18

A carbon fiber microelectrode (CFME) was used for characterization of the nanoparticle catalysts as an alternative to the well-established rotating disk electrode (RDE) method. We found that the novel CFME method yielded comparable results to the RDE method when investigating the adsorption/desorption processes as well the specific activity for reactions such as the oxygen reduction reaction. Its major advantage over the RDE method is a fast sample preparation and rapid measurement, reducing significantly the time of a single sample characterization from 2-3 h to a favorable 5-10 min.

Dual fluidized bed design for the fast pyrolysis of biomass

USDA-ARS?s Scientific Manuscript database

A mechanism for the transport of solids between fluidised beds in dual fluidised bed systems for the fast pyrolysis of biomass process was selected. This mechanism makes use of an overflow standpipe to transport solids from the fluidised bed used for the combustion reactions to a second fluidised be...

Shock wave structure in an ideal dissociating gas

NASA Technical Reports Server (NTRS)

Liu, K. H.

1975-01-01

Composition changes within the shock layer due to chemical reactions are considered. The Lighthill ideal dissociating gas model was used in an effort to describe the oxygen type molecule. First, the two limiting cases, when the chemical reaction rates are very slow and very fast in comparison to local convective rates, are investigated. Then, the problem is solved for arbitrary chemical reaction rates.

Numerical modeling of coupled variably saturated fluid flow and reactive transport with fast and slow chemical reactions

NASA Astrophysics Data System (ADS)

Yeh, Gour-Tsyh (George); Siegel, Malcolm D.; Li, Ming-Hsu

2001-02-01

The couplings among chemical reaction rates, advective and diffusive transport in fractured media or soils, and changes in hydraulic properties due to precipitation and dissolution within fractures and in rock matrix are important for both nuclear waste disposal and remediation of contaminated sites. This paper describes the development and application of LEHGC2.0, a mechanistically based numerical model for simulation of coupled fluid flow and reactive chemical transport, including both fast and slow reactions in variably saturated media. Theoretical bases and numerical implementations are summarized, and two example problems are demonstrated. The first example deals with the effect of precipitation/dissolution on fluid flow and matrix diffusion in a two-dimensional fractured media. Because of the precipitation and decreased diffusion of solute from the fracture into the matrix, retardation in the fractured medium is not as large as the case wherein interactions between chemical reactions and transport are not considered. The second example focuses on a complicated but realistic advective-dispersive-reactive transport problem. This example exemplifies the need for innovative numerical algorithms to solve problems involving stiff geochemical reactions.

Experimental Investigation on the Mechanism of Chelation-Assisted, Copper(II) Acetate-Accelerated Azide-Alkyne Cycloaddition

PubMed Central

Kuang, Gui-Chao; Guha, Pampa M.; Brotherton, Wendy S.; Simmons, J. Tyler; Stankee, Lisa A.; Nguyen, Brian T.; Clark, Ronald J.; Zhu, Lei

2011-01-01

A mechanistic model is formulated to account for the high reactivity of chelating azides (organic azides capable of chelation-assisted metal coordination at the alkylated azido nitrogen position) and copper(II) acetate (Cu(OAc)2) in copper(II)-mediated azide-alkyne cycloaddition (AAC) reactions. Fluorescence and 1H NMR assays are developed for monitoring the reaction progress in two different solvents – methanol and acetonitrile. Solvent kinetic isotopic effect and pre-mixing experiments give credence to the proposed different induction reactions for converting copper(II) to catalytic copper(I) species in methanol (methanol oxidation) and acetonitrile (alkyne oxidative homocoupling), respectively. The kinetic orders of individual components in a chelation-assisted, copper(II)-accelerated AAC reaction are determined in both methanol and acetonitrile. Key conclusions resulting from the kinetic studies include (1) the interaction between copper ion (either in +1 or +2 oxidation state) and a chelating azide occurs in a fast, pre-equilibrium step prior to the formation of the in-cycle copper(I)-acetylide, (2) alkyne deprotonation is involved in several kinetically significant steps, and (3) consistent with prior experimental and computational results by other groups, two copper centers are involved in the catalysis. The X-ray crystal structures of chelating azides with Cu(OAc)2 suggest a mechanistic synergy between alkyne oxidative homocoupling and copper(II)-accelerated AAC reactions, in which both a bimetallic catalytic pathway and a base are involved. The different roles of the two copper centers (a Lewis acid to enhance the electrophilicity of the azido group and a two-electron reducing agent in oxidative metallacycle formation, respectively) in the proposed catalytic cycle suggest that a mixed valency (+2 and +1) dinuclear copper species be a highly efficient catalyst. This proposition is supported by the higher activity of the partially reduced Cu(OAc)2 in mediating a 2-picolylazide-involved AAC reaction than the fully reduced Cu(OAc)2. Finally, the discontinuous kinetic behavior that has been observed by us and others in copper(I/II)-mediated AAC reactions is explained by the likely catalyst disintegration during the course of a relatively slow reaction. Complementing the prior mechanistic conclusions drawn by other investigators which primarily focus on the copper(I)/alkyne interactions, we emphasize the kinetic significance of copper(I/II)/azide interaction. This work not only provides a mechanism accounting for the fast Cu(OAc)2-mediated AAC reactions involving chelating azides, which has apparent practical implications, but suggests the significance of mixed-valency dinuclear copper species in catalytic reactions where two copper centers carry different functions. PMID:21809811

Plane wave density functional molecular dynamics study of exothermic reactions of Al/CuO thermites

NASA Astrophysics Data System (ADS)

Oloriegbe, Suleiman; Sewell, Thomas; Chen, Zhen; Jiang, Shan; Gan, Yong

2014-03-01

Exothermic reactions between nanosize aluminum (Al) and copper oxide (CuO) structures are of current interest because of their high reaction enthalpy and energy density which exceed those of traditional monomolecular energetic compounds such as TNT, RDX, and HMX. In this work, molecular dynamics simulations with forces obtained from plane wave density functional theory are used to investigate the atomic-scale and electronic processes that occur during the fast thermite reactions between Al and CuO nanostructures under adiabatic conditions. Aluminum surfaces in contact with O-exposed and Cu-exposed CuO surfaces are studied. Starting from initial temperature T = 800 K, we have observed: faster chemical reaction at the oxygen-rich interface during the initial 0.5 ps, linear temperature rise, and fast oxygen diffusion into the Al region with the rate 1.87 X 10-3 cm2/s. The density-derived electrostatic and chemical method is used to evaluate the net atomic charges and charge transfer during the important redox processes. High charge density around the oxygen-exposed interface may be responsible for the faster initial reactions at that interface. The overall reaction rate, determined using the time evolution of Cu-O charge orbital overlap population, is approximately first order.

Phasic heart rate responses and cardiac cycle time in auditory choice reaction time.

PubMed

van der Molen, M W; Somsen, R J; Orlebeke, J F

1983-01-01

This study investigated the cardiovascular-behavioral interaction under short and long stimulus interval conditions. In addition, the cardiovascular-behavioral interaction was studied as affected by cardiac cycle duration. Fourteen subjects performed a choice reaction time (RT) task employing a mixed speed-accuracy tradeoff design in which reactions were paced to coincide with a signal that occurs randomly at either 200 or 500 msec after the reaction stimulus. The preparatory interval between a warning stimulus and a lead-reaction stimulus complex was also varied (2 vs. 4.5 sec). Anticipatory deceleration occurred within the 4.5 sec interval but not in the 2 sec interval. The depth of anticipatory deceleration did not discriminate between fast and slow reactions; but an earlier shift from deceleration to acceleration was associated with fast reactions. The effect of stimulus timing relative to the R-wave of the electrocardiogram was also analysed. Meaningful stimuli tended to produce cardiac slowing as previously described in the literature. Early occurring stimuli prolong the cycle of their occurrence more than late occurring stimuli. The later prolong the subsequent cycle. Cardiac cycle time effects were absent for unattended stimuli. The results of anticipatory deceleration suggested that the depth of deceleration was regulated by time-uncertainty and speed-accuracy criterion.

Investigation of the oxidation of methyl vinyl ketone (MVK) by OH radicals in the atmospheric simulation chamber SAPHIR

NASA Astrophysics Data System (ADS)

Fuchs, Hendrik; Albrecht, Sascha; Acir, Ismail-Hakki; Bohn, Birger; Breitenlechner, Martin; Dorn, Hans-Peter; Gkatzelis, Georgios I.; Hofzumahaus, Andreas; Holland, Frank; Kaminski, Martin; Keutsch, Frank N.; Novelli, Anna; Reimer, David; Rohrer, Franz; Tillmann, Ralf; Vereecken, Luc; Wegener, Robert; Zaytsev, Alexander; Kiendler-Scharr, Astrid; Wahner, Andreas

2018-06-01

The photooxidation of methyl vinyl ketone (MVK) was investigated in the atmospheric simulation chamber SAPHIR for conditions at which organic peroxy radicals (RO2) mainly reacted with NO (high NO case) and for conditions at which other reaction channels could compete (low NO case). Measurements of trace gas concentrations were compared to calculated concentration time series applying the Master Chemical Mechanism (MCM version 3.3.1). Product yields of methylglyoxal and glycolaldehyde were determined from measurements. For the high NO case, the methylglyoxal yield was (19 ± 3) % and the glycolaldehyde yield was (65 ± 14) %, consistent with recent literature studies. For the low NO case, the methylglyoxal yield reduced to (5 ± 2) % because other RO2 reaction channels that do not form methylglyoxal became important. Consistent with literature data, the glycolaldehyde yield of (37 ± 9) % determined in the experiment was not reduced as much as implemented in the MCM, suggesting additional reaction channels producing glycolaldehyde. At the same time, direct quantification of OH radicals in the experiments shows the need for an enhanced OH radical production at low NO conditions similar to previous studies investigating the oxidation of the parent VOC isoprene and methacrolein, the second major oxidation product of isoprene. For MVK the model-measurement discrepancy was up to a factor of 2. Product yields and OH observations were consistent with assumptions of additional RO2 plus HO2 reaction channels as proposed in literature for the major RO2 species formed from the reaction of MVK with OH. However, this study shows that also HO2 radical concentrations are underestimated by the model, suggesting that additional OH is not directly produced from RO2 radical reactions, but indirectly via increased HO2. Quantum chemical calculations show that HO2 could be produced from a fast 1,4-H shift of the second most important MVK derived RO2 species (reaction rate constant 0.003 s-1). However, additional HO2 from this reaction was not sufficiently large to bring modelled HO2 radical concentrations into agreement with measurements due to the small yield of this RO2 species. An additional reaction channel of the major RO2 species with a reaction rate constant of (0.006 ± 0.004) s-1 would be required that produces concurrently HO2 radicals and glycolaldehyde to achieve model-measurement agreement. A unimolecular reaction similar to the 1,5-H shift reaction that was proposed in literature for RO2 radicals from MVK would not explain product yields for conditions of experiments in this study. A set of H-migration reactions for the main RO2 radicals were investigated by quantum chemical and theoretical kinetic methodologies, but did not reveal a contributing route to HO2 radicals or glycolaldehyde.

Live cell imaging at the Munich ion microbeam SNAKE - a status report.

PubMed

Drexler, Guido A; Siebenwirth, Christian; Drexler, Sophie E; Girst, Stefanie; Greubel, Christoph; Dollinger, Günther; Friedl, Anna A

2015-02-18

Ion microbeams are important tools in radiobiological research. Still, the worldwide number of ion microbeam facilities where biological experiments can be performed is limited. Even fewer facilities combine ion microirradiation with live-cell imaging to allow microscopic observation of cellular response reactions starting very fast after irradiation and continuing for many hours. At SNAKE, the ion microbeam facility at the Munich 14 MV tandem accelerator, a large variety of biological experiments are performed on a regular basis. Here, recent developments and ongoing research projects at the ion microbeam SNAKE are presented with specific emphasis on live-cell imaging experiments. An overview of the technical details of the setup is given, including examples of suitable biological samples. By ion beam focusing to submicrometer beam spot size and single ion detection it is possible to target subcellular structures with defined numbers of ions. Focusing of high numbers of ions to single spots allows studying the influence of high local damage density on recruitment of damage response proteins.

A neutron activation spectrometer and neutronic experimental platform for the National Ignition Facility (invited)

NASA Astrophysics Data System (ADS)

Yeamans, C. B.; Gharibyan, N.

2016-11-01

At the National Ignition Facility, the diagnostic instrument manipulator-based neutron activation spectrometer is used as a diagnostic of implosion performance for inertial confinement fusion experiments. Additionally, it serves as a platform for independent neutronic experiments and may be connected to fast recording systems for neutron effect tests on active electronics. As an implosion diagnostic, the neutron activation spectrometers are used to quantify fluence of primary DT neutrons, downscattered neutrons, and neutrons above the primary DT neutron energy created by reactions of upscattered D and T in flight. At a primary neutron yield of 1015 and a downscattered fraction of neutrons in the 10-12 MeV energy range of 0.04, the downscattered neutron fraction can be measured to a relative uncertainty of 8%. Significant asymmetries in downscattered neutrons have been observed. Spectrometers have been designed and fielded to measure the tritium-tritium and deuterium-tritium neutron outputs simultaneously in experiments using DT/TT fusion ratio as a direct measure of mix of ablator into the gas.

A neutron activation spectrometer and neutronic experimental platform for the National Ignition Facility (invited).

PubMed

Yeamans, C B; Gharibyan, N

2016-11-01

At the National Ignition Facility, the diagnostic instrument manipulator-based neutron activation spectrometer is used as a diagnostic of implosion performance for inertial confinement fusion experiments. Additionally, it serves as a platform for independent neutronic experiments and may be connected to fast recording systems for neutron effect tests on active electronics. As an implosion diagnostic, the neutron activation spectrometers are used to quantify fluence of primary DT neutrons, downscattered neutrons, and neutrons above the primary DT neutron energy created by reactions of upscattered D and T in flight. At a primary neutron yield of 10 15 and a downscattered fraction of neutrons in the 10-12 MeV energy range of 0.04, the downscattered neutron fraction can be measured to a relative uncertainty of 8%. Significant asymmetries in downscattered neutrons have been observed. Spectrometers have been designed and fielded to measure the tritium-tritium and deuterium-tritium neutron outputs simultaneously in experiments using DT/TT fusion ratio as a direct measure of mix of ablator into the gas.

A study of the reaction Li+HCl by the technique of time-resolved laser-induced fluorescence spectroscopy of Li (2 2PJ-2 2S1/2, λ=670.7 nm) between 700 and 1000 K

NASA Astrophysics Data System (ADS)

Plane, John M. C.; Saltzman, Eric S.

1987-10-01

A kinetic study is presented of the reaction between lithium atoms and hydrogen chloride over the temperature range 700-1000 K. Li atoms are produced in an excess of HCl and He bath gas by pulsed photolysis of LiCl vapor. The concentration of the metal atoms is then monitored in real time by the technique of laser-induced fluorescence of Li atoms at λ=670.7 nm using a pulsed nitrogen-pumped dye laser and box-car integration of the fluorescence signal. Absolute second-order rate constants for this reaction have been measured at T=700, 750, 800, and 900 K. At T=1000 K the reverse reaction is sufficiently fast that equilibrium is rapidly established on the time scale of the experiment. A fit of the data between 700 and 900 K to the Arrhenius form, with 2σ errors calculated from the absolute errors in the rate constants, yields k(T)=(3.8±1.1)×10-10 exp[-(883±218)/T] cm3 molecule-1 s-1. This result is interpreted through a modified form of collision theory which is constrained to take account of the conservation of total angular momentum during the reaction. Thereby we obtain an estimate for the reaction energy threshold, E0=8.2±1.4 kJ mol-1 (where the error arises from uncertainty in the exothermicity of the reaction), in very good agreement with a crossed molecular beam study of the title reaction, and substantially lower than estimates of E0 from both semiempirical and ab initio calculations of the potential energy surface.

Tested Demonstrations.

ERIC Educational Resources Information Center

Gilbert, George L., Ed.

1987-01-01

Describes two laboratory demonstrations in chemistry. One uses dry ice, freon, and freezer bags to demonstrate volume changes, vapor-liquid equilibrium, a simulation of a rain forest, and vaporization. The other uses the clock reaction technique to illustrate fast reactions and kinetic problems in releasing carbon dioxide during respiration. (TW)

Direct observation of forward-scattering oscillations in the H+HD→H2+D reaction

NASA Astrophysics Data System (ADS)

Yuan, Daofu; Yu, Shengrui; Chen, Wentao; Sang, Jiwei; Luo, Chang; Wang, Tao; Xu, Xin; Casavecchia, Piergiorgio; Wang, Xingan; Sun, Zhigang; Zhang, Dong H.; Yang, Xueming

2018-06-01

Accurate measurements of product state-resolved angular distributions are central to fundamental studies of chemical reaction dynamics. Yet, fine quantum-mechanical structures in product angular distributions of a reactive scattering process, such as the fast oscillations in the forward-scattering direction, have never been observed experimentally and the nature of these oscillations has not been fully explored. Here we report the crossed-molecular-beam experimental observation of these fast forward-scattering oscillations in the product angular distribution of the benchmark chemical reaction, H + HD → H2 + D. Clear oscillatory structures are observed for the H2(v' = 0, j' = 1, 3) product states at a collision energy of 1.35 eV, in excellent agreement with the quantum-mechanical dynamics calculations. Our analysis reveals that the oscillatory forward-scattering components are mainly contributed by the total angular momentum J around 28. The partial waves and impact parameters responsible for the forward scatterings are also determined from these observed oscillations, providing crucial dynamics information on the transient reaction process.

Dual gold catalysis: σ,π-propyne acetylide and hydroxyl-bridged digold complexes as easy-to-prepare and easy-to-handle precatalysts.

PubMed

Hashmi, A Stephen K; Lauterbach, Tobias; Nösel, Pascal; Vilhelmsen, Mie Højer; Rudolph, Matthias; Rominger, Frank

2013-01-14

A series of dinuclear gold σ,π-propyne acetylide complexes were prepared and tested for their catalytic ability in dual gold catalysis that was based on the reaction of an electrophilic π-complex of gold with a gold acetylide. The air-stable and storable catalysts can be isolated as silver-free catalysts in their activated form. These dual catalysts allow a fast initiation phase for the dual catalytic cycles without the need for additional additives for acetylide formation. Because propyne serves as a throw-away ligand, no traces of the precatalyst are generated. Based on the fast initiation process, side products are minimized and reaction rates are higher for these catalysts. A series of test reactions were used to demonstrate the general applicability of these catalysts. Lower catalyst loadings, faster reaction rates, and better selectivity, combined with the practicability of these catalysts, make them ideal catalysts for dual gold catalysis. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Non-equilibrium reactive flux: A unified framework for slow and fast reaction kinetics.

PubMed

Bose, Amartya; Makri, Nancy

2017-10-21

The flux formulation of reaction rate theory is recast in terms of the expectation value of the reactive flux with an initial condition that corresponds to a non-equilibrium, factorized reactant density. In the common case of slow reactive processes, the non-equilibrium expression reaches the plateau regime only slightly slower than the equilibrium flux form. When the reactants are described by a single quantum state, as in the case of electron transfer reactions, the factorized reactant density describes the true initial condition of the reactive process. In such cases, the time integral of the non-equilibrium flux expression yields the reactant population as a function of time, allowing characterization of the dynamics in cases where there is no clear separation of time scales and thus a plateau regime cannot be identified. The non-equilibrium flux offers a unified approach to the kinetics of slow and fast chemical reactions and is ideally suited to mixed quantum-classical methods.

Breakdown of the reaction-diffusion master equation with nonelementary rates

NASA Astrophysics Data System (ADS)

Smith, Stephen; Grima, Ramon

2016-05-01

The chemical master equation (CME) is the exact mathematical formulation of chemical reactions occurring in a dilute and well-mixed volume. The reaction-diffusion master equation (RDME) is a stochastic description of reaction-diffusion processes on a spatial lattice, assuming well mixing only on the length scale of the lattice. It is clear that, for the sake of consistency, the solution of the RDME of a chemical system should converge to the solution of the CME of the same system in the limit of fast diffusion: Indeed, this has been tacitly assumed in most literature concerning the RDME. We show that, in the limit of fast diffusion, the RDME indeed converges to a master equation but not necessarily the CME. We introduce a class of propensity functions, such that if the RDME has propensities exclusively of this class, then the RDME converges to the CME of the same system, whereas if the RDME has propensities not in this class, then convergence is not guaranteed. These are revealed to be elementary and nonelementary propensities, respectively. We also show that independent of the type of propensity, the RDME converges to the CME in the simultaneous limit of fast diffusion and large volumes. We illustrate our results with some simple example systems and argue that the RDME cannot generally be an accurate description of systems with nonelementary rates.

Chemistry of fast electrons

PubMed Central

Maximoff, Sergey N.; Head-Gordon, Martin P.

2009-01-01

A chemicurrent is a flux of fast (kinetic energy ≳ 0.5−1.3 eV) metal electrons caused by moderately exothermic (1−3 eV) chemical reactions over high work function (4−6 eV) metal surfaces. In this report, the relation between chemicurrent and surface chemistry is elucidated with a combination of top-down phenomenology and bottom-up atomic-scale modeling. Examination of catalytic CO oxidation, an example which exhibits a chemicurrent, reveals 3 constituents of this relation: The localization of some conduction electrons to the surface via a reduction reaction, 0.5 O2 + δe− → Oδ− (Red); the delocalization of some surface electrons into a conduction band in an oxidation reaction, Oδ− + CO → CO2δ− → CO2 + δe− (Ox); and relaxation without charge transfer (Rel). Juxtaposition of Red, Ox, and Rel produces a daunting variety of metal electronic excitations, but only those that originate from CO2 reactive desorption are long-range and fast enough to dominate the chemicurrent. The chemicurrent yield depends on the universality class of the desorption process and the distribution of the desorption thresholds. This analysis implies a power-law relation with exponent 2.66 between the chemicurrent and the heat of adsorption, which is consistent with experimental findings for a range of systems. This picture also applies to other oxidation-reduction reactions over high work function metal surfaces. PMID:19561296

Measurement of the fast neutron background at the China Jinping Underground Laboratory

NASA Astrophysics Data System (ADS)

Du, Q.; Lin, S. T.; Liu, S. K.; Tang, C. J.; Wang, L.; Wei, W. W.; Wong, H. T.; Xing, H. Y.; Yue, Q.; Zhu, J. J.

2018-05-01

We report on the measurements of the fluxes and spectra of the environmental fast neutron background at the China Jinping Underground Laboratory (CJPL) with a rock overburden of about 6700 meters water equivalent, using a liquid scintillator detector doped with 0.5% gadolinium. The signature of a prompt nuclear recoil followed by a delayed high energy γ-ray cascade is used to identify neutron events. The large energy deposition of the delayed γ-rays from the (n , γ) reaction on gadolinium, together with the excellent n- γ discrimination capability provides a powerful background suppression which allows the measurement of a low intensity neutron flux. The neutron flux of (1 . 51 ± 0 . 03(stat .) ± 0 . 10(syst .)) × 10-7cm-2s-1 in the energy range of 1-10 MeV in the Hall A of CJPL was measured based on 356 days of data. In the same energy region, measurement with the same detector placed in a room surrounding with one meter thick polyethylene shielding gives a significantly lower flux of (4 . 9 ± 0 . 9(stat .) ± 0 . 5(syst .)) × 10-9cm-2s-1 with 174 days of data. This represents a measurement of the lowest environmental fast neutron background among the underground laboratories in the world, prior to additional experiment-specific attenuation. Additionally, the fast neutron spectra both in the Hall A and the polyethylene room were reconstructed with the help of GEANT4 simulations.

Measurements of 89Y(n,2n)88Y and 89Y(n,3n)87Y, 87mY cross sections for fast neutrons at KIRAMS

NASA Astrophysics Data System (ADS)

In, Eun Jin; Bak, Sang-In; Ham, Cheolmin; Kim, Do Yoon; Myung, Hyunjeong; Shim, Chungbo; Shin, Jae Won; Min, Kyung Joo; Zhou, Yujie; Park, Tae-Sun; Hong, Seung-Woo; Bhoraskar, V. N.

2017-09-01

A proton cyclotron MC-50 in Korea Institute of Radiological & Medical Science (KIRAMS) is used to carry out neutron activation experiments with Y2O3 targets irradiated with neutron beams of a continuous spectrum produced by proton beams on a thick beryllium target. Neutrons are generated by 9Be (p, n) reaction with an incident proton intensity of 20 μA. The neutron spectra generated by proton beams of 30, 35, and 40 MeV are calculated by GEANT4 simulations. Nb powders are used for neutron flux monitoring by measuring the activities of 92mNb through the reaction 93Nb (n, 2n). By using a subtraction method, the average cross section of 89Y(n,2n) and 89Y(n,3n) reactions at the neutron energies of 29.8 ± 1.8 MeV and 34.8 ± 1.8 MeV are extracted and are found to be close to the existing cross sections from the EXFOR data and the evaluated nuclear data libraries such as TENDL-2015 or EAF-2010.

Photothermal monitoring of interaction of carcinoma cells with cytostatic drugs in vitro

NASA Astrophysics Data System (ADS)

Lapotko, Dmitri; Hanna, Ehab; Cannon, Martin

2003-06-01

Background/problem. Monitoring of tumor response to cancer chemotherapy and dose optimization for specific patients are the key factors for successful application of anti-tumor drugs. Using patient's tumor cells for preliminary in vitro drug screening may allow optimal selection of drug type and dose. Method. Single cell state was studied with photothermal microscope. Carcinoma cells were irradiated at 427 nm with 8 ns laser pulse with energy 30 - 40 μJ. Cell photothermal (PT) response amplitude and shape from each cell were analyzed and amount of cells that produced specific PT response was used as PT parameter. Parallel experiment included cell viability control. Results were obtained for two cytotoxic chemotherapy agents -- Platinol-aq and Adrucil. Incubation of cell suspensions for 90 min at 20 and 37°C caused changes in cell PT parameters. Reaction of carcinoma cells to the drug was very similar to reaction of hepatocytes to respiratory chain inhibition and reaction of RBC to osmotic pressure decrease. PT effect was found to be dose-dependent. PT method allows detecting drug-induced changes before cell death or morphological changes and therefore can be fast and sensitive modality for control of chemotherapy.

Fast screening of analytes for chemical reactions by reactive low-temperature plasma ionization mass spectrometry.

PubMed

Zhang, Wei; Huang, Guangming

2015-11-15

Approaches for analyte screening have been used to aid in the fine-tuning of chemical reactions. Herein, we present a simple and straightforward analyte screening method for chemical reactions via reactive low-temperature plasma ionization mass spectrometry (reactive LTP-MS). Solution-phase reagents deposited on sample substrates were desorbed into the vapor phase by action of the LTP and by thermal desorption. Treated with LTP, both reagents reacted through a vapor phase ion/molecule reaction to generate the product. Finally, protonated reagents and products were identified by LTP-MS. Reaction products from imine formation reaction, Eschweiler-Clarke methylation and the Eberlin reaction were detected via reactive LTP-MS. Products from the imine formation reaction with reagents substituted with different functional groups (26 out of 28 trials) were successfully screened in a time of 30 s each. Besides, two short-lived reactive intermediates of Eschweiler-Clarke methylation were also detected. LTP in this study serves both as an ambient ionization source for analyte identification (including reagents, intermediates and products) and as a means to produce reagent ions to assist gas-phase ion/molecule reactions. The present reactive LTP-MS method enables fast screening for several analytes from several chemical reactions, which possesses good reagent compatibility and the potential to perform high-throughput analyte screening. In addition, with the detection of various reactive intermediates (intermediates I and II of Eschweiler-Clarke methylation), the present method would also contribute to revealing and elucidating reaction mechanisms. Copyright © 2015 John Wiley & Sons, Ltd.

3-D Displays Perceptual Research and Applications to Military Systems

DTIC Science & Technology

1982-09-30

physical button on the corresponding face of the response cube as fast as possible, while minimizing errors. Each observer served for six sessions...orientation, and this resulted in the fast flat reaction time function. The Rotat±nal Strategy: As can be seen from Figure 3, the 24 stimulus cube...instead of the TOP key, these two responses should show the fast , flat response time functions associated with use of the spatial strategy, whereas the

Analysis of a water moderated critical assembly with anisn-Vitamin C

DOE Office of Scientific and Technical Information (OSTI.GOV)

Green, L.

1979-03-01

A tightly packed water moderated /sup 233/UO/sub 2/--ThO/sub 2/ critical assembly was analyzed with the Vitamin C library and the 1-D S/s n/ code, ANISN (S/sub 8/,P/sub 3/). The purpose of the study was to provide validation of this calculational model as applied to water-cooled hybrid fusion blankets. The quantities compared were the core eigenvalue and various activation shapes. The calculated eigenvalue was 1.02 +- 0.01. The /sup 233/U fission and /sup 232/Th capture shapes were found to be in good agreement (+-5%) with experiment, except near water--metal boundaries where differences up to 24% were observed. No such error peakingmore » was observed in the /sup 232/Th fast fission shape. We conclude that the model provides good volume averaged reaction rates in water-cooled systems. However, care must be exercised near water boundaries where thermally dependent reaction rates are significantly underestimated.« less

Quantum yield for carbon monoxide production in the 248 nm photodissociation of carbonyl sulfide (OCS)

NASA Technical Reports Server (NTRS)

Zhao, Z.; Stickel, R. E.; Wine, P. H.

1995-01-01

Tunable diode laser absorption spectroscopy has been coupled with excimer laser flash photolysis to measure the quantum yield for CO production from 248 nm photodissociation of carbonyl sulfide (OCS) relative to the well-known quantum yield for CO production from 248 nm photolysis of phosgene (Cl2CO2). The temporal resolution of the experiments was sufficient to distinguish CO formed directly by photodissociation from that formed by subsequent S((sup 3)P(sub J)) reaction with OCS. Under the experimental conditions employed, CO formation via the fast S((sup 1)D(sub 2)) + OCS reaction was minimal. Measurements at 297K and total pressures from 4 to 100 Torr N2 + N2O show the CO yield to be greater than 0.95 and most likely unity. This result suggests that the contribution of OCS as a precursor to the lower stratospheric sulfate aerosol layer is somewhat larger than previously thought.

A high-current electron beam ion trap as a charge breeder for the reacceleration of rare isotopes at the NSCL.

PubMed

Schwarz, S; Bollen, G; Kostin, M; Marti, F; Zavodszky, P; Crespo López-Urrutia, J R; Dilling, J; Kester, O

2008-02-01

Reacceleration of low-energy rare isotope beams available from gas stopping of fast-fragment beams or from an ISOL target station to energies in the range of 0.3-12 MeV/nucleon is needed for experiments such as low-energy Coulomb excitation and transfer reaction studies and for the precise study of astrophysical reactions. The implementation of charge breeding as a first step in a reaccelerator is a key to obtaining a compact and cost-efficient reacceleration scheme. For highest efficiency it is essential that single charge states are obtained in a short breeding time. A low-emittance beam must be delivered. An electron beam ion trap (EBIT) has the potential to meet these requirements. An EBIT-based charge breeder is presently under design and construction at the NSCL as part of the construction of a reaccelerator for stopped beams from projectile fragmentation. This new facility will have the potential to provide low-energy rare isotope beams not yet available elsewhere.

Lipase-catalysed acylation of starch and determination of the degree of substitution by methanolysis and GC

PubMed Central

2010-01-01

Background Natural polysaccharides such as starch are becoming increasingly interesting as renewable starting materials for the synthesis of biodegradable polymers using chemical or enzymatic methods. Given the complexity of polysaccharides, the analysis of reaction products is challenging. Results Esterification of starch with fatty acids has traditionally been monitored by saponification and back-titration, but in our experience this method is unreliable. Here we report a novel GC-based method for the fast and reliable quantitative determination of esterification. The method was used to monitor the enzymatic esterification of different starches with decanoic acid, using lipase from Thermomyces lanuginosus. The reaction showed a pronounced optimal water content of 1.25 mL per g starch, where a degree of substitution (DS) of 0.018 was obtained. Incomplete gelatinization probably accounts for lower conversion with less water. Conclusions Lipase-catalysed esterification of starch is feasible in aqueous gel systems, but attention to analytical methods is important to obtain correct DS values. PMID:21114817

^10B analysis using Charged Particle Activation Analysis

NASA Astrophysics Data System (ADS)

Guo, B. N.; Jin, J. Y.; Duggan, J. D.; McDaniel, F. D.

1997-10-01

Charged Particle Activation analysis (CPAA) is an analytic technique that is used to determine trace quantities of an element usually on the surface of a substrate. The beam from the accelerator is used to make the required nuclear reaction that leaves the residual activity with a measurable half life. Gamma rays from the residual activity are measured to determine the trace quantities of the elements being studied. We have used this technique to study re-entry cloth coatings for space and aircraft vehicles. The clothes made of 20μ m SiC fibers are coated with Boron Nitride. CPAA was used to determine the relative thicknesses of the boron coatings. In particular the ^10B(p,γ)^11C reaction was used. A fast coincidence set up was used to measure the 0.511 MeV annihilation radiation from the 20.38 minute ^11C activity. Rutherford Back Scattering (RBS) results will be presented as a comparison. Details of the process and the experiment will be discussed.

Localizing internal friction along the reaction coordinate of protein folding by combining ensemble and single-molecule fluorescence spectroscopy

PubMed Central

Borgia, Alessandro; Wensley, Beth G.; Soranno, Andrea; Nettels, Daniel; Borgia, Madeleine B.; Hoffmann, Armin; Pfeil, Shawn H.; Lipman, Everett A.; Clarke, Jane; Schuler, Benjamin

2012-01-01

Theory, simulations and experimental results have suggested an important role of internal friction in the kinetics of protein folding. Recent experiments on spectrin domains provided the first evidence for a pronounced contribution of internal friction in proteins that fold on the millisecond timescale. However, it has remained unclear how this contribution is distributed along the reaction and what influence it has on the folding dynamics. Here we use a combination of single-molecule Förster resonance energy transfer, nanosecond fluorescence correlation spectroscopy, microfluidic mixing and denaturant- and viscosity-dependent protein-folding kinetics to probe internal friction in the unfolded state and at the early and late transition states of slow- and fast-folding spectrin domains. We find that the internal friction affecting the folding rates of spectrin domains is highly localized to the early transition state, suggesting an important role of rather specific interactions in the rate-limiting conformational changes. PMID:23149740

"Phoswich Wall": A charged-particle detector array for inverse-kinematic reactions with the Gretina/GRETA γ-ray arrays

NASA Astrophysics Data System (ADS)

Sarantites, D. G.; Reviol, W.; Elson, J. M.; Kinnison, J. E.; Izzo, C. J.; Manfredi, J.; Liu, J.; Jung, H. S.; Goerres, J.

2015-08-01

A high-efficiency, forward-hemisphere detector system for light charged particles and low-Z heavy ions, as obtained in an accelerator experiment, is described. It consists of four 8×8 pixel multianode photomultiplier tubes with 2.2-mm thick CsI(Tl) and 12 -μm thick fast-plastic scintillation detectors. Its phoswich structure allows individual Z resolution for 1H, 4He, 7Li, 4He+4He, 9Be, 11B, 12C, and 14N ions, which are target-like fragments detected in strongly inverse kinematics. The device design has been optimized for use with a 4π γ-ray array, and the main applications are transfer reactions and Coulomb excitation. A high-angular resolution for the detection of the target-like fragments is achieved which permits angular distributions to be measured in the rest frame of the projectile-like fragment with a resolution of ~ 2 °.

Fast neutron production from lithium converters and laser driven protons

DOE Office of Scientific and Technical Information (OSTI.GOV)

Storm, M.; Jiang, S.; Wertepny, D.

2013-05-15

Experiments to generate neutrons from the {sup 7}Li(p,n){sup 7}Be reaction with 60 J, 180 fs laser pulses have been performed at the Texas Petawatt Laser Facility at the University of Texas at Austin. The protons were accelerated from the rear surface of a thin target membrane using the target-normal-sheath-acceleration mechanism. The neutrons were generated in nuclear reactions caused by the subsequent proton bombardment of a pure lithium foil of natural isotopic abundance. The neutron energy ranged up to 2.9 MeV. The total yield was estimated to be 1.6 × 10{sup 7} neutrons per steradian. An extreme ultra-violet light camera, usedmore » to image the target rear surface, correlated variations in the proton yield and peak energy to target rear surface ablation. Calculations using the hydrodynamics code FLASH indicated that the ablation resulted from a laser pre-pulse of prolonged intensity. The ablation severely limited the proton acceleration and neutron yield.« less

Localizing internal friction along the reaction coordinate of protein folding by combining ensemble and single-molecule fluorescence spectroscopy.

PubMed

Borgia, Alessandro; Wensley, Beth G; Soranno, Andrea; Nettels, Daniel; Borgia, Madeleine B; Hoffmann, Armin; Pfeil, Shawn H; Lipman, Everett A; Clarke, Jane; Schuler, Benjamin

2012-01-01

Theory, simulations and experimental results have suggested an important role of internal friction in the kinetics of protein folding. Recent experiments on spectrin domains provided the first evidence for a pronounced contribution of internal friction in proteins that fold on the millisecond timescale. However, it has remained unclear how this contribution is distributed along the reaction and what influence it has on the folding dynamics. Here we use a combination of single-molecule Förster resonance energy transfer, nanosecond fluorescence correlation spectroscopy, microfluidic mixing and denaturant- and viscosity-dependent protein-folding kinetics to probe internal friction in the unfolded state and at the early and late transition states of slow- and fast-folding spectrin domains. We find that the internal friction affecting the folding rates of spectrin domains is highly localized to the early transition state, suggesting an important role of rather specific interactions in the rate-limiting conformational changes.

Modeling of the Modulation by Buffers of Ca2+ Release through Clusters of IP3 Receptors

PubMed Central

Zeller, S.; Rüdiger, S.; Engel, H.; Sneyd, J.; Warnecke, G.; Parker, I.; Falcke, M.

2009-01-01

Abstract Intracellular Ca2+ release is a versatile second messenger system. It is modeled here by reaction-diffusion equations for the free Ca2+ and Ca2+ buffers, with spatially discrete clusters of stochastic IP3 receptor channels (IP3Rs) controlling the release of Ca2+ from the endoplasmic reticulum. IP3Rs are activated by a small rise of the cytosolic Ca2+ concentration and inhibited by large concentrations. Buffering of cytosolic Ca2+ shapes global Ca2+ transients. Here we use a model to investigate the effect of buffers with slow and fast reaction rates on single release spikes. We find that, depending on their diffusion coefficient, fast buffers can either decouple clusters or delay inhibition. Slow buffers have little effect on Ca2+ release, but affect the time course of the signals from the fluorescent Ca2+ indicator mainly by competing for Ca2+. At low [IP3], fast buffers suppress fluorescence signals, slow buffers increase the contrast between bulk signals and signals at open clusters, and large concentrations of buffers, either fast or slow, decouple clusters. PMID:19686646

A fast and indirect fluorescent antibody assay for the vibrio in large yellow croaker Pseudosciaena crocea (Richardson)

NASA Astrophysics Data System (ADS)

Wang, Jun; Su, Yongquan; Yan, Qingpi

2003-03-01

A fast and indirect fluorescent antibody assay for the Vibrio alginolyticus and V. parahaemolyticus infecting the large yellow croaker has been developed. The specific antisera for the two strains of vibrio were prepared with New Zealand rabbit and the antiserum and cross-reactive efficacy was tested by coagulation in tube. It showed that the goat anti-rabbit IgG had been labeled by fluorescence isothiocyanate (FITC). The results showed that positive reactions were 100% for the large yellow croaker Pseudosciaena crocea with typical symptom of vibrio infection, while the positive reaction to the pathogen in healthy yellow croakers reached 40%, but seemed negative for aquaculture water. The results demonstrated that this fast and indirect fluorescent antibody assay can be used not only to test the vibrio pathogen in diseased yellow croaker but also in infected animals with no symptom.

Dynamic imaging with electron microscopy

ScienceCinema

Campbell, Geoffrey; McKeown, Joe; Santala, Melissa

2018-02-13

Livermore researchers have perfected an electron microscope to study fast-evolving material processes and chemical reactions. By applying engineering, microscopy, and laser expertise to the decades-old technology of electron microscopy, the dynamic transmission electron microscope (DTEM) team has developed a technique that can capture images of phenomena that are both very small and very fast. DTEM uses a precisely timed laser pulse to achieve a short but intense electron beam for imaging. When synchronized with a dynamic event in the microscope's field of view, DTEM allows scientists to record and measure material changes in action. A new movie-mode capability, which earned a 2013 R&D 100 Award from R&D Magazine, uses up to nine laser pulses to sequentially capture fast, irreversible, even one-of-a-kind material changes at the nanometer scale. DTEM projects are advancing basic and applied materials research, including such areas as nanostructure growth, phase transformations, and chemical reactions.

New insights in the pathogenesis of atopic disease.

PubMed

Ionescu, John G

2009-01-01

A causal link between the increasing environmental pollution and the fast spreading of allergic diseases is currently discussed. The exogenic and endogenic noxious agents contributing to the total environmental load are primarily acting through immunotoxic, sensitizing and neurotoxic mechanisms in animal experiments and in humans. Beside classic allergic-triggering factors (allergen potency, intermittent exposure to different allergen concentrations, presence of microbial bodies and sensitizing phenols), the adjuvant role of environmental pollutants gains increasing importance in allergy induction. Our therapy experience with more than 18.000 atopic eczema patients shows that beside allergic reactions pseudoallergic mechanisms through toxic environmental agents (formaldehyde, industrial and traffic smog, wood preservatives, microbial toxins, additive-rich food, nicotine, alcohol, pesticides, solvents, amalgam-heavy metals) are increasingly incriminated as causal factors for the complex symptomatology. The avoidance and elimination of such triggering factors before and during pregnancy and in early childhood may result in a significant decrease of the incidence of atopic diseases.

Enrico Fermi - And the Revolutions of Modern Physics

NASA Astrophysics Data System (ADS)

Cooper, Dan

1999-02-01

In 1938, at the age of 37, Enrico Fermi was awarded the Nobel Prize in Physics. That same year he emigrated from Italy to the United States and, in the course of his experiments, discovered nuclear fission--a process which forms the basis of nuclear power and atomic bombs. Soon the brilliant physicist was involved in the top secret race to produce the deadliest weapon on Earth. He created the first self-sustaining chain reaction, devised new methods for purifying plutonium, and eventually participated in the first atomic test. This compelling biography traces Fermis education in Italy, his meteoric career in the scientific world, his escape from fascism to America, and the ingenious experiments he devised and conducted at the University of Rome, Columbia University, and the Los Alamos laboratory. The book also presents a mini-course in quantum and nuclear physics in an accessible, fast-paced narrative that invokes all the dizzying passion of Fermis brilliant discoveries.

New Insights in the Pathogenesis of Atopic Disease

PubMed Central

Ionescu, GJ

2009-01-01

A causal link between the increasing environmental pollution and the fast spreading of allergic diseases is currently discussed. The exogenic and endogenic noxious agents contributing to the total environmental load are primarily acting through immunotoxic, sensitizing and neurotoxic mechanisms in animal experiments and in humans. Beside classic allergic–triggering factors (allergen potency, intermittent exposure to different allergen concentrations, presence of microbial bodies and sensitizing phenols), the adjuvant role of environmental pollutants gains increasing importance in allergy induction. Our therapy experience with more than 18.000 atopic eczema patients shows that beside allergic reactions pseudoallergic mechanisms through toxic environmental agents (formaldehyde, industrial and traffic smog, wood preservatives, microbial toxins, additive–rich food, nicotine, alcohol, pesticides, solvents, amalgam–heavy metals) are increasingly incriminated as causal factors for the complex symptomatology. The avoidance and elimination of such triggering factors before and during pregnancy and in early childhood may result in a significant decrease of the incidence of atopic diseases.

New Insights in the Pathogenesis of Atopic Disease

PubMed Central

John G., Ionescu

2009-01-01

A causal link between the increasing environmental pollution and the fast spreading of allergic diseases is currently discussed. The exogenic and endogenic noxious agents contributing to the total environmental load are primarily acting through immunotoxic, sensitizing and neurotoxic mechanisms in animal experiments and in humans. Beside classic allergic-triggering factors (allergen potency, intermittent exposure to different allergen concentrations, presence of microbial bodies and sensitizing phenols), the adjuvant role of environmental pollutants gains increasing importance in allergy induction. Our therapy experience with more than 18.000 atopic eczema patients shows that beside allergic reactions pseudoallergic mechanisms through toxic environmental agents (formaldehyde, industrial and traffic smog, wood preservatives, microbial toxins, additive-rich food, nicotine, alcohol, pesticides, solvents, amalgam-heavy metals) are increasingly incriminated as causal factors for the complex symptomatology. The avoidance and elimination of such triggering factors before and during pregnancy and in early childhood may result in a significant decrease of the incidence of atopic diseases. PMID:20108533

REVIEWS OF TOPICAL PROBLEMS: lonization and quenching of excited atoms with the production of fast electrons

NASA Astrophysics Data System (ADS)

Kolokolov, N. B.; Blagoev, A. B.

1993-03-01

Studies of reactions involving excited atoms, which result in the release of electrons with energies exceeding the mean plasma electron energy, are reviewed. Particular attention is devoted to plasma electron spectroscopy (PES) which combines the advantages of studies of elementary plasma processes with those of traditional electron spectroscopy. Data obtained by investigating the following reactions are reported: chemoionization with the participation of two excited inert-gas atoms, Penning ionization of atoms and molecules by metastable helium atoms, and electron quenching of excited inert-gas atoms and mercury atoms. The effect of processes in which fast electrons are emitted on plasma properties is discussed.

Studying enzymatic bioreactions in a millisecond microfluidic flow mixer

PubMed Central

Buchegger, Wolfgang; Haller, Anna; van den Driesche, Sander; Kraft, Martin; Lendl, Bernhard; Vellekoop, Michael

2012-01-01

In this study, the pre-steady state development of enzymatic bioreactions using a microfluidic mixer is presented. To follow such reactions fast mixing of reagents (enzyme and substrate) is crucial. By using a highly efficient passive micromixer based on multilaminar flow, mixing times in the low millisecond range are reached. Four lamination layers in a shallow channel reduce the diffusion lengths to a few micrometers only, enabling very fast mixing. This was proven by confocal fluorescence measurements in the channel’s cross sectional area. Adjusting the overall flow rate in the 200 μm wide and 900 μm long mixing and observation channel makes it possible to investigate enzyme reactions over several seconds. Further, the device enables changing the enzyme/substrate ratio from 1:1 up to 3:1, while still providing high mixing efficiency, as shown for the enzymatic hydrolysis using β-galactosidase. This way, the early kinetics of the enzyme reaction at multiple enzyme/substrate concentrations can be collected in a very short time (minutes). The fast and easy handling of the mixing device makes it a very powerful and convenient instrument for millisecond temporal analysis of bioreactions. PMID:22662071

A sputtering derived atomic oxygen source for studying fast atom reactions

NASA Technical Reports Server (NTRS)

Ferrieri, Richard A.; Yung, Y. Chu; Wolf, Alfred P.

1987-01-01

A technique for the generation of fast atomic oxygen was developed. These atoms are created by ion beam sputtering from metal oxide surfaces. Mass resolved ion beams at energies up to 60 KeV are produced for this purpose using a 150 cm isotope separator. Studies have shown that particles sputtered with 40 KeV Ar(+) on Ta2O5 were dominantly neutral and exclusively atomic. The atomic oxygen also resided exclusively in its 3P ground state. The translational energy distribution for these atoms peaked at ca 7 eV (the metal-oxygen bond energy). Additional measurements on V2O5 yielded a bimodal distribution with the lower energy peak at ca 5 eV coinciding reasonably well with the metal-oxygen bond energy. The 7 eV source was used to investigate fast oxygen atom reactions with the 2-butene stereoisomers. Relative excitation functions for H-abstraction and pi-bond reaction were measured with trans-2-butene. The abstraction channel, although of minor relative importance at thermal energy, becomes comparable to the addition channel at 0.9 eV and dominates the high-energy regime. Structural effects on the specific channels were also found to be important at high energy.

PELAN applications and recent field tests

NASA Astrophysics Data System (ADS)

Martinez, Juan J.; Holslin, Daniel T.

2004-10-01

When neutrons interact with particular nuclei, the resulting energy of the interaction can be released in the form of gamma rays, which are characteristic of the nucleus involved in the reaction. The PELAN (Pulsed Elemental Analysis with Neutrons) system uses a pulsed neutron generator and an integral thermalizing shield that induce reactions that cover most of the entire gamma ray energy spectra1. The neutron generator uses a D-T reaction, which releases fast 14MeV neutrons responsible for providing information on those nuclei that mostly respond to inelastic scattering. During the time period between pulses, the fast neutrons undergo multiple inelastic interactions that lower their energy making them easier to be captured by certain nuclei; this energy spectrum of gamma rays induced by these interactions are designated as the gamma ray thermal spectra. The PELAN system has been used for a number of applications where non-intrusive, non-destructive interrogation is needed. Although Pulsed Fast Thermal Neutron Analysis (PFTNA) has been around for approximately 30 years, the technology has never been successfully commercialized for practical applications. The following report illustrates examples of the performance of on a number of applications of interrogation of Unexploded Ordnance (UXO), mine confirmation, large vehicle bombs inspection and illicit drug smuggling detection.

Experiments with the Dragon Machine

DOE Office of Scientific and Technical Information (OSTI.GOV)

R.E. Malenfant

2005-08-12

The basic characteristics of a self-sustaining chain reaction were demonstrated with the Chicago Pile in 1943, but it was not until early 1945 that sufficient enriched material became available to experimentally verify fast-neutron cross-sections and the kinetic characteristics of a nuclear chain reaction sustained with prompt neutrons alone. However, the demands of wartime and the rapid decline in effort following the cessation of hostilities often resulted in the failure to fully document the experiments or in the loss of documentation as personnel returned to civilian pursuits. When documented, the results were often highly classified. Even when eventually declassified, the datamore » were often not approved for public release until years later.2 Even after declassification and approval for public release, the records are sometimes difficult to find. Through a fortuitous discovery, a set of handwritten notes by ''ORF July 1945'' entitled ''Dragon - Research with a Pulsed Fission Reactor'' was found by William L. Myers in an old storage safe at Pajarito Site of the Los Alamos National Laboratory3. Of course, ORF was identified as Otto R. Frisch. The document was attached to a page in a nondescript spiral bound notebook labeled ''494 Book'' that bore the signatures of Louis Slotin and P. Morrison. The notes also reference an ''Idea LS'' that can only be Louis Slotin. The discovery of the notes led to a search of Laboratory Archives, the negative files of the photo lab, and the Report Library for additional details of the experiments with the Dragon machine that were conducted between January and July 1945. The assembly machine and the experiments were carefully conceived and skillfully executed. The analyses--without the crutch of computers--display real insight into the characteristics of the nuclear chain reaction. The information presented here provides what is believed to be a complete collection of the original documentation of the observations made with the Dragon Machine in early 1945.« less

Preparation and electrochemical performances of nanoporous/cracked cobalt oxide layer for supercapacitors

NASA Astrophysics Data System (ADS)

Gobal, Fereydoon; Faraji, Masoud

2014-12-01

Nanoporous/cracked structures of cobalt oxide (Co3O4) electrodes were successfully fabricated by electroplating of zinc-cobalt onto previously formed TiO2 nanotubes by anodizing of titanium, leaching of zinc in a concentrated alkaline solution and followed by drying and annealing at 400 °C. The structure and morphology of the obtained Co3O4 electrodes were characterized by X-ray diffraction, EDX analysis and scanning electron microscopy. The results showed that the obtained Co3O4 electrodes were composed of the nanoporous/cracked structures with an average pore size of about 100 nm. The electrochemical capacitive behaviors of the nanoporous Co3O4 electrodes were investigated by cyclic voltammetry, galvanostatic charge-discharge studies and electrochemical impedance spectroscopy in 1 M NaOH solution. The electrochemical data demonstrated that the electrodes display good capacitive behavior with a specific capacitance of 430 F g-1 at a current density of 1.0 A g-1 and specific capacitance retention of ca. 80 % after 10 days of being used in electrochemical experiments, indicating to be promising electroactive materials for supercapacitors. Furthermore, in comparison with electrodes prepared by simple cathodic deposition of cobalt onto TiO2 nanotubes(without dealloying procedure), the impedance studies showed improved performances likely due to nanoporous/cracked structures of electrodes fabricated by dealloying of zinc, which provide fast ion and electron transfer routes and large reaction surface area with the ensued fast reaction kinetics.

Fast Optimization of LiMgMnOx/La2O3 Catalysts for the Oxidative Coupling of Methane.

PubMed

Li, Zhinian; He, Lei; Wang, Shenliang; Yi, Wuzhong; Zou, Shihui; Xiao, Liping; Fan, Jie

2017-01-09

The development of efficient catalyst for oxidative coupling of methane (OCM) reaction represents a grand challenge in direct conversion of methane into other useful products. Here, we reported that a newly developed combinatorial approach can be used for ultrafast optimization of La 2 O 3 -based multicomponent metal oxide catalysts in OCM reaction. This new approach integrated inkjet printing assisted synthesis (IJP-A) with multidimensional group testing strategy (m-GT) tactfully takes the place of conventionally high-throughput synthesis-and-screen experiment. Just within a week, 2048 formulated LiMgMnO x -La 2 O 3 catalysts in a 64·8·8·8·8 = 262 144 compositional space were fabricated by IJP-A in a four-round synthesis-and-screen process, and an optimized formulation has been successfully identified through only 4·8 = 32 times of tests via m-GT screening strategy. The screening process identifies the most promising ternary composition region is Li 0-0.48 Mg 0-6.54 Mn 0-0.62 -La 100 O x with an external C 2 yield of 10.87% at 700 °C. The yield of C 2 is two times as high as the pure nano-La 2 O 3 . The good performance of the optimized catalyst formulation has been validated by the manual preparation, which further prove the effectiveness of the new combinatorial methodology in fast discovery of heterogeneous catalyst.

Effect of the Hydrothermal Fluid Composition on the Serpentinization of Olivine and Pyroxene

NASA Astrophysics Data System (ADS)

Daniel, I.; Andreani, M.

2016-12-01

The hydrothermal alteration of ultramafic rocks leads to the serpentinization reaction that mainly forms serpentine and variable amounts of talc, brucite and magnetite, as well as hydrogen and magnesite when carbonate is present in the fluid. The serpentinization kinetics of pyroxene under hydrothermal conditions has been very little studied in comparison with olivine, and both have been evaluated experimentally only in simple aqueous fluids. Here, we have evaluated the effect of the fluid chemistry - aluminum, carbonate and pH on the serpentinization rate of olivine and orthopyroxene at 200 °C, 340 °C and 200 MPa to simulate natural hydrothermal conditions. We used low-pressure diamond-anvil cells (lp-DAC) and time-resolved X-ray diffraction to monitor in situ the progress of serpentinization in twelve experiments. We also performed several complementary long-lasting experiments of several days in particular with orthopyroxene, for which in situ monitoring was not possible. At 340 °C in presence of Al and/or carbonate and at high pH, olivine conversion into lizardite is extremely fast with a half-time reaction t1/2 = 2 hrs only, while orthopyroxene did not react much even after 6 days (11%). In contrast to olivine, orthopyroxene conversion to serpentine was faster without Al (48 % in 6 days). Magnetite was also observed to form in the runs with olivine at 340 °C and moderate pH. In experiments run with orthopyroxene only, we observed the exclusive formation of proto-serpentine instead of lizardite. We propose that the contrasted effect of Al on the serpentinization rate of olivine and orthopyroxene results from the complexation of Al in the solution that reacts differently with the mineral surfaces during their dissolution. The positively charged olivine surface allows the adsorption of the dominant negatively charged Al(OH)4- complex, while the neutral surface of orthopyroxene does not. This adsorption process could facilitate both the dissolution of olivine and the fast nucleation-growth of an Al-enriched lizardite. The detailed and relative role of pH and carbonate on the serpentinization of olivine will also be discussed.

Photoneutron reactions in astrophysics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Varlamov, V. V., E-mail: Varlamov@depni.sinp.msu.ru; Ishkhanov, B. S.; Orlin, V. N.

Among key problems in nuclear astrophysics, that of obtaining deeper insight into the mechanism of synthesis of chemical elements is of paramount importance. The majority of heavy elements existing in nature are produced in stars via radiative neutron capture in so-called s- and r processes, which are, respectively, slow and fast, in relation to competing β{sup −}-decay processes. At the same time, we know 35 neutron-deficient so-called bypassed p-nuclei that lie between {sup 74}Se and {sup 196}Hg and which cannot originate from the aforementioned s- and r-processes. Their production is possible in (γ, n), (γ, p), or (γ, α) photonuclearmore » reactions. In view of this, data on photoneutron reactions play an important role in predicting and describing processes leading to the production of p-nuclei. Interest in determining cross sections for photoneutron reactions in the threshold energy region, which is of particular importance for astrophysics, has grown substantially in recent years. The use of modern sources of quasimonoenergetic photons obtained in processes of inverse Compton laser-radiation scattering on relativistic electronsmakes it possible to reveal rather interesting special features of respective cross sections, manifestations of pygmy E1 and M1 resonances, or the production of nuclei in isomeric states, on one hand, and to revisit the problem of systematic discrepancies between data on reaction cross sections from experiments of different types, on the other hand. Data obtained on the basis of our new experimental-theoretical approach to evaluating cross sections for partial photoneutron reactions are invoked in considering these problems.« less

Effect of blast furnace slag on self-healing of microcracks in cementitious materials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Haoliang, E-mail: haoliang.huang@tudelft.nl; Ye, Guang; Magnel Laboratory for Concrete Research, Department of Structural Engineering, Ghent University

The physico-chemical process of self-healing in blast furnace slag cement paste was investigated in this paper. With a high slag content i.e., 66% in cement paste and saturated Ca(OH)₂ solution as activator, it was found that the reaction products formed in cracks are composed of C-S-H, ettringite, hydrogarnet and OH–hydrotalcite. The fraction of C-S-H in the reaction products is much larger than the other minerals. Large amount of ettringite formed in cracks indicates the leaching of SO₄⁻² ions from the bulk paste and consequently the recrystallization. Self-healing proceeds fast within 50 h and then slows down. According to thermodynamic modeling,more » when the newly formed reaction products are carbonated, the filling fraction of crack increases first and then decreases. Low soluble minerals such as silica gel, gibbsite and calcite are formed. Compared to Portland cement paste, the potential of self-healing in slag cement paste is higher when the percentage of slag is high. Highlights: • Self-healing reaction products in slag cement paste were characterized. • Self-healing reaction products formed in time were quantified with image analysis. • Self-healing in slag cement paste was simulated with a reactive transport model. • Effect of carbonation on self-healing was investigated by thermodynamic modeling. • Effect of slag on self-healing was discussed based on experiments and simulation.« less

Is the idea of a fast block to polyspermy based on artifact?

PubMed

Dale, Brian

2014-08-01

This purpose of this review is to look at the experimental evidence, both kinetic and electrophysiological, that led to the hypothesis of a fast electrical block to polyspermy in sea urchin eggs. The idea of a fast partial block, forwarded in the 1950's, that would reduce the receptivity of the egg surface by 1/20th following its interaction with the fertilizing spermatozoon, was based on experiments that treated fertilization as a first order chemical reaction. Here, I outline the criticisms of the Rothschild theory and demonstrate that the hypothesis of a fast partial block to polyspermy is unfounded. Notwithstanding, it was suggested in the 1970's that the membrane depolarization, induced by the fertilizing spermatozoon, prevented the interaction of supernumerary spermatozoa, the fast electrical block to polyspermy. While trans-membrane voltage recording has permitted a better understanding of the sequence of events occurring at fertilization, there is no evidence that depolarization prevents the interaction of supernumerary spermatozoa. Sperm entry is prevented at positive and negative potentials, in the voltage clamp configuration, however this is an artifact caused by the currents injected into the egg employed to hold the voltage constant in a non-physiological range. At permissive voltages, around -20 mV, where the current required to hold the voltage is minimal, only one spermatozoon normally enters the egg. Thus, irrespective of the egg voltage, the fertilizing spermatozoon is, in any case, attached to a privileged interaction site that permits entry and distinguishes it from supernumerary spermatozoa. Competence for monospermy is acquired during oocyte maturation and data on cortical organization in echinoderm eggs points to the actin filament system for regulating sperm entry. Copyright © 2014 Elsevier Inc. All rights reserved.

Ground reaction force, spinal kinematics and their relationship to lower back pain and injury in cricket fast bowling: A review.

PubMed

Senington, Billy; Lee, Raymond Y; Williams, Jonathan Mark

2018-03-09

Fast bowlers display a high risk of lower back injury and pain. Studies report factors that may increase this risk, however exact mechanisms remain unclear. To provide a contemporary analysis of literature, up to April 2016, regarding fast bowling, spinal kinematics, ground reaction force (GRF), lower back pain (LBP) and pathology. Key terms including biomechanics, bowling, spine and injury were searched within MEDLINE, Google Scholar, SPORTDiscuss, Science Citation Index, OAIster, CINAHL, Academic Search Complete, Science Direct and Scopus. Following application of inclusion criteria, 56 studies (reduced from 140) were appraised for quality and pooled for further analysis. Twelve times greater risk of lumbar injury was reported in bowlers displaying excessive shoulder counter-rotation (SCR), however SCR is a surrogate measure which may not describe actual spinal movement. Little is known about LBP specifically. Weighted averages of 5.8 ± 1.3 times body weight (BW) vertically and 3.2 ± 1.1 BW horizontally were calculated for peak GRF during fast bowling. No quantitative synthesis of kinematic data was possible due to heterogeneity of reported results. Fast bowling is highly injurious especially with excessive SCR. Studies adopted similar methodologies, constrained to laboratory settings. Future studies should focus on methods to determine biomechanics during live play.

Nanoparticulate mackinawite formation; a stopped and continuous flow XANES and EXAFS investigation

NASA Astrophysics Data System (ADS)

Butler, I. B.; Bell, A. M.; Charnock, J. M.; Rickard, D.; Vaughan, D. J.; Oldroyd, A.

2009-12-01

The sequestration of sulfur and iron within sedimentary iron sulfides, and ultimately as pyrite, is a major sink in global biogeochemical cycles of those elements and has impacts on global carbon and oxygen cycles. The formation of the metastable black iron (II) monosulfide mackinawite is a key process because mackinawite forms in aqueous solutions where the Fe(II) and S(-II) IAP exceeds mackinawite’s Ksp. Mackinawite is the first formed iron sulfide phase, a consequence of Ostwald’s step rule and is a reactant phase during the formation of thermodynamically stable sedimentary iron sulfide minerals such as pyrite. The reaction of dissolved Fe(II) and sulfide is extremely fast and reactions in the environmentally significant near-neutral pH range tend to completion in <1 second. We have combined stopped and continuous flow techniques with X-ray absorption spectroscopy to evaluate the products of the fast precipitation kinetics of mackinawite over millisecond timescales. EXAFS spectra and data collected during flow experiments were compared with those from a well characterised freeze-dried nanoparticulate mackinawite standard and with published data. Published work has used Rietveld crystal structure refinement to determine bond distances of 2.2558 and 2.5976Å for Fe-S and Fe-Fe respectively. In our experiments Fe K edge XANES is consistent with tetrahedrally coordinated Fe in the precipitated sulfide phase. EXAFS data show that local Fe-S and Fe-Fe coordination and interatomic distances (Fe-S = 2.24Å; Fe-Fe = 2.57Å) are consistent with those determined for the standard mackinawite and published data. The coordination and spacing are developed in the precipitated phase after <10ms reaction at pH5, and considerably faster in experiments at near neutral to alkaline pH. No evidence for phases structurally intermediate between hexaqua Fe(II) and precipitated mackinawite was observed. Aqueous FeS° cluster complexes previously identified as intermediates during mackinawite formation and iron sulfide mineral transformations did not contribute significantly to the EXAFS spectra collected. For environmental, geological and biogeochemical applications, the precipitation of the mineral mackinawite can be considered to proceed rapidly from aqueous Fe(II) and S(-II) ions to the nanoparticulate crystalline mineral. The materials labelled “disordered mackinawite”, or “amorphous FeS” phase which have been widely quoted in the iron sulfide literature do not form at any stage of the precipitation of mackinawite from aqueous solutions. Physical and chemical properties previously ascribed to an amorphous or disordered structure are a consequence of the nanoparticulate form of the first precipitated solid.

Validation of Monte Carlo simulation of neutron production in a spallation experiment

DOE PAGES

Zavorka, L.; Adam, J.; Artiushenko, M.; ...

2015-02-25

A renewed interest in experimental research on Accelerator-Driven Systems (ADS) has been initiated by the global attempt to produce energy from thorium as a safe(r), clean(er) and (more) proliferation-resistant alternative to the uranium-fuelled thermal nuclear reactors. The ADS research has been actively pursued at the Joint Institute for Nuclear Research (JINR), Dubna, since decades. Most recently, the emission of fast neutrons was experimentally investigated at the massive (m = 512 kg) natural uranium spallation target QUINTA. The target has been irradiated with the relativistic deuteron beams of energy from 0.5 AGeV up to 4 AGeV at the JINR Nuclotron acceleratormore » in numerous experiments since 2011. Neutron production inside the target was studied through the gamma-ray spectrometry measurement of natural uranium activation detectors. Experimental reaction rates for (n,γ), (n,f) and (n,2n) reactions in uranium have provided valuable information about the neutron distribution over a wide range of energies up to some GeV. The experimental data were compared to the predictions of Monte Carlo simulations using the MCNPX 2.7.0 code. In conclusion, the results are presented and potential sources of partial disagreement are discussed later in this work.« less

Aminosilica materials as adsorbents for the selective removal of aldehydes and ketones from simulated bio-oil.

PubMed

Drese, Jeffrey H; Talley, Anne D; Jones, Christopher W

2011-03-21

The fast pyrolysis of biomass is a potential route to the production of liquid biorenewable fuel sources. However, degradation of the bio-oil mixtures due to reaction of oxygenates, such as aldehydes and ketones, reduces the stability of the liquids and can impact long-term storage and shipping. Herein, solid aminosilica adsorbents are described for the selective adsorptive removal of reactive aldehyde and ketone species. Three aminosilica adsorbents are prepared through the reaction of amine-containing silanes with pore-expanded mesoporous silica. A fourth aminosilica adsorbent is prepared through the ring-opening polymerization of aziridine from pore-expanded mesoporous silica. Adsorption experiments with a representative mixture of bio-oil model compounds are presented using each adsorbent at room temperature and 45 °C. The adsorbent comprising only primary amines adsorbs the largest amount of aldehydes and ketones. The overall reactivity of this adsorbent increases with increasing temperature. Additional aldehyde screening experiments show that the reactivity of aldehydes with aminosilicas varies depending on their chemical functionality. Initial attempts to regenerate an aminosilica adsorbent by acid hydrolysis show that they can be at least partially regenerated for further use. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Kinetics of natural oxidant demand by permanganate in aquifer solids.

PubMed

Urynowicz, Michael A; Balu, Balamurali; Udayasankar, Umamaheshwari

2008-02-19

During in situ chemical oxidation with permanganate, natural organic matter and other reduced species in the subsurface compete with the target compounds for the available oxidant and can exert a significant natural oxidant demand. This competition between target and nontarget compounds can have a significant impact on the permeation, dispersal, and persistence of permanganate in the subsurface. The kinetics of natural oxidant demand by permanganate was investigated using a composite sample made up of aquifer material collected from three different sites. The study found that although the depletion of organic carbon increased with increased permanganate dosage and increased reaction period, the mass ratio of MnO(4)(-):OC (wt/wt) was relatively constant over time (11.4+/-0.9). The reaction order and rate with respect to permanganate were found to decrease with time suggesting a continuum of reactions with the slower reactions becoming more controlling with time. However, the data also suggests that this continuum of reactions can be simplified into short- and long-term kinetic expressions representing fast and slow reactions. An independent first-order kinetic model with separate fast and slow reaction rate constants was used to successfully describe the complete kinetic expression of natural oxidant demand. The kinetic parameters used in the model are easily determined and can be used to better understand the complex kinetics of natural oxidant demand.

Furan production from glycoaldehyde over HZSM-5

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Seonah; Evans, Tabitha J.; Mukarakate, Calvin

Catalytic fast pyrolysis of biomass over zeolite catalysts results primarily in aromatic (e.g. benzene, toluene, xylene) and olefin products. However, furans are a higher value intermediate for their ability to be readily transformed into gasoline, diesel, and chemicals. Here we investigate possible mechanisms for the coupling of glycoaldehyde, a common product of cellulose pyrolysis, over HZSM-5 for the formation of furans. Experimental measurements of neat glycoaldehyde over a fixed bed of HZSM-5 confirm furans (e.g. furanone) are products of this reaction at temperatures below 300 degrees C with several aldol condensation products as co-products (e.g. benzoquinone). However, under typical catalyticmore » fast pyrolysis conditions (>400 degrees C), further reactions occur that lead to the usual aromatic product slate. ONIOM calculations were utilized to identify the pathway for glycoaldehyde coupling toward furanone and hydroxyfuranone products with dehydration reactions serving as the rate determining steps with typical intrinsic reaction barriers of 40 kcal mol-1. The reaction mechanisms for glycoaldehyde will likely be similar to that of other small oxygenates such as acetaldehyde, lactaldehyde, and hydroxyacetone and this study provides a generalizable mechanism of oxygenate coupling and furan formation over zeolite catalysts.« less

Furan production from glycoaldehyde over HZSM-5

DOE PAGES

Kim, Seonah; Evans, Tabitha J.; Mukarakate, Calvin; ...

2016-04-03

Catalytic fast pyrolysis of biomass over zeolite catalysts results primarily in aromatic (e.g. benzene, toluene, xylene) and olefin products. However, furans are a higher value intermediate for their ability to be readily transformed into gasoline, diesel, and chemicals. Here we investigate possible mechanisms for the coupling of glycoaldehyde, a common product of cellulose pyrolysis, over HZSM-5 for the formation of furans. Experimental measurements of neat glycoaldehyde over a fixed bed of HZSM-5 confirm furans (e.g. furanone) are products of this reaction at temperatures below 300 degrees C with several aldol condensation products as co-products (e.g. benzoquinone). However, under typical catalyticmore » fast pyrolysis conditions (>400 degrees C), further reactions occur that lead to the usual aromatic product slate. ONIOM calculations were utilized to identify the pathway for glycoaldehyde coupling toward furanone and hydroxyfuranone products with dehydration reactions serving as the rate determining steps with typical intrinsic reaction barriers of 40 kcal mol-1. The reaction mechanisms for glycoaldehyde will likely be similar to that of other small oxygenates such as acetaldehyde, lactaldehyde, and hydroxyacetone and this study provides a generalizable mechanism of oxygenate coupling and furan formation over zeolite catalysts.« less

The effect of Ramadan fasting on spatial attention through emotional stimuli

PubMed Central

Molavi, Maziyar; Yunus, Jasmy; Utama, Nugraha P

2016-01-01

Fasting can influence psychological and mental states. In the current study, the effect of periodical fasting on the process of emotion through gazed facial expression as a realistic multisource of social information was investigated for the first time. The dynamic cue-target task was applied via behavior and event-related potential measurements for 40 participants to reveal the temporal and spatial brain activities – before, during, and after fasting periods. The significance of fasting included several effects. The amplitude of the N1 component decreased over the centroparietal scalp during fasting. Furthermore, the reaction time during the fasting period decreased. The self-measurement of deficit arousal as well as the mood increased during the fasting period. There was a significant contralateral alteration of P1 over occipital area for the happy facial expression stimuli. The significant effect of gazed expression and its interaction with the emotional stimuli was indicated by the amplitude of N1. Furthermore, the findings of the study approved the validity effect as a congruency between gaze and target position, as indicated by the increment of P3 amplitude over centroparietal area as well as slower reaction time from behavioral response data during incongruency or invalid condition between gaze and target position compared with those during valid condition. Results of this study proved that attention to facial expression stimuli as a kind of communicative social signal was affected by fasting. Also, fasting improved the mood of practitioners. Moreover, findings from the behavioral and event-related potential data analyses indicated that the neural dynamics of facial emotion are processed faster than that of gazing, as the participants tended to react faster and prefer to relay on the type of facial emotions than to gaze direction while doing the task. Because of happy facial expression stimuli, right hemisphere activation was more than that of the left hemisphere. It indicated the consistency of the emotional lateralization concept rather than the valence concept of emotional processing. PMID:27307772

Adiabatic coarse-graining and simulations of stochastic biochemical networks

PubMed Central

Sinitsyn, N. A.; Hengartner, Nicolas; Nemenman, Ilya

2009-01-01

We propose a universal approach for analysis and fast simulations of stiff stochastic biochemical networks, which rests on elimination of fast chemical species without a loss of information about mesoscopic, non-Poissonian fluctuations of the slow ones. Our approach is similar to the Born–Oppenheimer approximation in quantum mechanics and follows from the stochastic path integral representation of the cumulant generating function of reaction events. In applications with a small number of chemical reactions, it produces analytical expressions for cumulants of chemical fluxes between the slow variables. This allows for a low-dimensional, interpretable representation and can be used for high-accuracy, low-complexity coarse-grained numerical simulations. As an example, we derive the coarse-grained description for a chain of biochemical reactions and show that the coarse-grained and the microscopic simulations agree, but the former is 3 orders of magnitude faster. PMID:19525397

Free jet micromixer to study fast chemical reactions by small angle X-ray scattering.

PubMed

Marmiroli, Benedetta; Grenci, Gianluca; Cacho-Nerin, Fernando; Sartori, Barbara; Ferrari, Enrico; Laggner, Peter; Businaro, Luca; Amenitsch, Heinz

2009-07-21

We present the design, fabrication process, and the first test results of a high aspect ratio micromixer combined with a free jet for under 100 micros time resolved studies of chemical reactions. The whole system has been optimized for synchrotron small angle X-ray scattering (SAXS) experiments. These studies are of particular interest to understand the early stages of chemical reactions, such as the kinetics of nanoparticle formation. The mixer is based on hydrodynamic focusing and works in the laminar regime. The use of a free jet overcomes the fouling of the channels and simultaneously circumvents background scattering from the walls. The geometrical parameters of the device have been optimized using finite element simulations, resulting in smallest features with radius <1 microm, and a channel depth of 60 microm, thus leading to an aspect ratio >60. To achieve the desired dimensions deep X-ray lithography (DXRL) has been employed. The device has been tested. First the focusing effect has been visualized using fluorescein. Then the evolution and stability of the jet, which exits the mixer nozzle at 13 m s(-1), have been characterized. Finally SAXS measurements have been conducted of the formation of calcium carbonate from calcium chloride and sodium carbonate. The fastest measurement is 75 micros after the beginning of the mixing of the reagents. The nanostructural evolution of chemical reactions is clearly discernible.

Improving Density Functional Tight Binding Predictions of Free Energy Surfaces for Slow Chemical Reactions in Solution

NASA Astrophysics Data System (ADS)

Kroonblawd, Matthew; Goldman, Nir

2017-06-01

First principles molecular dynamics using highly accurate density functional theory (DFT) is a common tool for predicting chemistry, but the accessible time and space scales are often orders of magnitude beyond the resolution of experiments. Semi-empirical methods such as density functional tight binding (DFTB) offer up to a thousand-fold reduction in required CPU hours and can approach experimental scales. However, standard DFTB parameter sets lack good transferability and calibration for a particular system is usually necessary. Force matching the pairwise repulsive energy term in DFTB to short DFT trajectories can improve the former's accuracy for reactions that are fast relative to DFT simulation times (<10 ps), but the effects on slow reactions and the free energy surface are not well-known. We present a force matching approach to improve the chemical accuracy of DFTB. Accelerated sampling techniques are combined with path collective variables to generate the reference DFT data set and validate fitted DFTB potentials. Accuracy of force-matched DFTB free energy surfaces is assessed for slow peptide-forming reactions by direct comparison to DFT for particular paths. Extensions to model prebiotic chemistry under shock conditions are discussed. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Fast thought speed induces risk taking.

PubMed

Chandler, Jesse J; Pronin, Emily

2012-04-01

In two experiments, we tested for a causal link between thought speed and risk taking. In Experiment 1, we manipulated thought speed by presenting neutral-content text at either a fast or a slow pace and having participants read the text aloud. In Experiment 2, we manipulated thought speed by presenting fast-, medium-, or slow-paced movie clips that contained similar content. Participants who were induced to think more quickly took more risks with actual money in Experiment 1 and reported greater intentions to engage in real-world risky behaviors, such as unprotected sex and illegal drug use, in Experiment 2. These experiments provide evidence that faster thinking induces greater risk taking.

Validation of Cross Sections with Criticality Experiment and Reaction Rates: the Neptunium Case

NASA Astrophysics Data System (ADS)

Leong, L. S.; Tassan-Got, L.; Audouin, L.; Berthier, B.; Le Naour, C.; Stéphan, C.; Paradela, C.; Tarrío, D.; Duran, I.

2014-04-01

The 237Np neutron-induced fission cross section has been recently measured in a large energy range (from eV to GeV) at the n_TOF facility at CERN. When compared to previous measurements the n_TOF fission cross section appears to be higher by 5-7% beyond the fission threshold. To check the relevance of the n_TOF data, we considered a criticality experiment performed at Los Alamos with a 6 kg sphere of 237Np, surrounded by uranium highly enriched in 235U so as to approach criticality with fast neutrons. The multiplication factor keff of the calculation is in better agreement with the experiment when we replace the ENDF/B-VII.0 evaluation of the 237Np fission cross section by the n_TOF data. We also explored the hypothesis of deficiencies of the inelastic cross section in 235U which has been invoked by some authors to explain the deviation of 750 pcm. The large modification needed to reduce the deviation seems to be incompatible with existing inelastic cross section measurements. Also we show that the νbar of 237Np can hardly be incriminated because of the high accuracy of the existing data. Fission rate ratios or averaged fission cross sections measured in several fast neutron fields seem to give contradictory results on the validation of the 237Np cross section but at least one of the benchmark experiments, where the active deposits have been well calibrated for the number of atoms, favors the n_TOF data set. These outcomes support the hypothesis of a higher fission cross section of 237Np.

Long baseline neutrino oscillation experiment at the AGS

NASA Astrophysics Data System (ADS)

Beavis, D.; Carroll, A.; Chiang, I.

1995-04-01

The authors present a design for a multidetector long baseline neutrino oscillation experiment at the BNL AGS. It has been approved by the BNL-HENP-PAC as AGS Experiment 889. The experiment will search for oscillations in the nu(sub mu) disappearance channel and the nu(sub mu) reversible reaction nu(sub e) appearance channel by means of four identical neutrino detectors located 1, 3, 24, and 68 km from the AGS neutrino source. Observed depletion of the nu(sub mu) flux (via quasi-elastic muon neutrino events, nu(sub mu)n yields mu(-)p) in the far detectors not attended by an observed proportional increase of the nu(sub e) flux (via quasi-elastic electron neutrino events, nu(sub e)n yields e(-)p) in those detectors will be prima facie evidence for the oscillation channel nu(sub mu) reversible reaction nu(sub tau). The experiment is directed toward exploration of the region of the neutrino oscillation parameters Delta m(exp 2) and sin(exp 2) 2 theta, suggested by the Kamiokande and IMB deep underground detectors but it will also explore a region more than two orders of magnitude larger than that of previous accelerator experiments. The experiment will run in a mode new to BNL. It will receive the fast extracted proton beam on the neutrino target approximately 20 hours per day when the AGS is not filling RHIC. A key aspect of the experimental design involves placing the detectors 1.5 degrees off the center line of the neutrino beam, which has the important advantage that the central value of the neutrino energy (approximately 1 GeV) and the beam spectral shape are, to a good approximation, the same in all four detectors. The proposed detectors are massive, imaging, water Cherenkov detectors similar in large part to the Kamiokande and IMB detectors. The design has profited from their decade-long experience, and from the detector designs of the forthcoming SNO and SuperKamiokande detectors.

Generation and acceleration of neutral atoms in intense laser plasma experiments

NASA Astrophysics Data System (ADS)

Tata, Sheroy; Mondal, Angana; Sarkar, Shobhik; Ved, Yash; Lad, Amit D.; Pasley, John; Colgan, James; Krishnamurthy, M.

2017-10-01

The interaction of a high intensity (>=1018 W/cm2), high contrast (>=109), ultra-short (30fs) laser with solid targets generates a highly dense hot plasma. The quasi-static electric fields in such plasmas are well known for ion acceleration via the target normal sheath acceleration process. Under such conditions charge reduction to generate fast neutral atoms is almost inhibited. Improvised Thomson parabola spectrometry with improved signal to noise ratio has enabled us to measure the signals of fast neutral atoms and negative ions having energies in excess of tens of keV. A study on the neutralization of accelerated protons in plasma shows that the neutral atom to all particle ratio rises sharply from a few percent at the highest detectable energy to 50 % at 15 keV. Using usual charge transfer reactions the generation of neutral atoms can not be explained, thus we conjecture that the neutralization of the accelerated ions is not from the hot dense region of the plasma but neutral atom formation takes place by co-propagating ions with low energy electrons enhancing the effective neutral ratio.

Rapid and selective lead (II) colorimetric sensor based on azacrown ether-functionalized gold nanoparticles

NASA Astrophysics Data System (ADS)

Alizadeh, A.; Khodaei, M. M.; Karami, Ch; Workentin, M. S.; Shamsipur, M.; Sadeghi, M.

2010-08-01

A gold nanoparticle (AuNPs)-based simple and fast colorimetric sensor for selective detecting of Pb(II) in aqueous solution has been developed. Monodisperse AuNPs (approx. 2.0 nm diameter) has been prepared facilely and further modified with an alkanethiol-bearing monoazacrown ether terminus. These AuNPs are shown to selectively sense Pb2 + through color change, which is visually discernible by an appearance of the surface plasmon band (SPB) at 520 nm. The recognition mechanism is attributed to the unique structure of the monoazacrown ether attached to AuNPs and metal sandwich coordination between two azacrown ether moieties that are attached to separate nanoparticles. This inter-particle cross-linking results in an aggregation and apparent color change from brown to purple. Additionally, TEM experiments support the optical absorption data proving the aggregation between azacrown ether-capped gold nanoparticles. This AuNP-based colorimetric assay is a facile and robust method and allows fast detection of Pb2 + at ambient temperatures. More importantly, the developed technique does not utilize enzymatic reactions, light-sensitive dye molecules, lengthy protocols or sophisticated instrumentation.

Music benefits on postoperative distress and pain in pediatric day care surgery.

PubMed

Calcaterra, Valeria; Ostuni, Selene; Bonomelli, Irene; Mencherini, Simonetta; Brunero, Marco; Zambaiti, Elisa; Mannarino, Savina; Larizza, Daniela; Albertini, Riccardo; Tinelli, Carmine; Pelizzo, Gloria

2014-08-12

Postoperative effect of music listening has not been established in pediatric age. Response on postoperative distress and pain in pediatric day care surgery has been evaluated. Forty-two children were enrolled. Patients were randomly assigned to the music-group (music intervention during awakening period) or the non-music group (standard postoperative care). Slow and fast classical music and pauses were recorded and played via ambient speakers. Heart rate, blood pressure, oxygen saturation, glucose and cortisol levels, faces pain scale and Face, Legs, Activity, Cry, Consolability (FLACC) Pain Scale were considered as indicators of response to stress and pain experience. Music during awakening induced lower increase of systolic and diastolic blood pressure levels. The non-music group showed progressive increasing values of glycemia; in music-group the curve of glycemia presented a plateau pattern (P<0.001). Positive impact on reactions to pain was noted using the FLACC scale. Music improves cardiovascular parameters, stress-induced hyperglycemia. Amelioration on pain perception is more evident in older children. Positive effects seems to be achieved by the alternation of fast, slow rhythms and pauses even in pediatric age.

General chemical kinetics computer program for static and flow reactions, with application to combustion and shock-tube kinetics

NASA Technical Reports Server (NTRS)

Bittker, D. A.; Scullin, V. J.

1972-01-01

A general chemical kinetics program is described for complex, homogeneous ideal-gas reactions in any chemical system. Its main features are flexibility and convenience in treating many different reaction conditions. The program solves numerically the differential equations describing complex reaction in either a static system or one-dimensional inviscid flow. Applications include ignition and combustion, shock wave reactions, and general reactions in a flowing or static system. An implicit numerical solution method is used which works efficiently for the extreme conditions of a very slow or a very fast reaction. The theory is described, and the computer program and users' manual are included.

Ab initio study of C + H3+ reactions

NASA Technical Reports Server (NTRS)

Talbi, D.; DeFrees, D. J.

1991-01-01

The reaction C + H3+ --> CH(+) + H2 is frequently used in models of dense interstellar cloud chemistry with the assumption that it is fast, i.e. there are no potential energy barriers inhibiting it. Ab initio molecular orbital study of the triplet CH3+ potential energy surface (triplet because the reactant carbon atom is a ground state triplet) supports this hypothesis. The reaction product is 3 pi CH+; the reaction is to exothermic even though the product is not in its electronic ground state. No path has been found on the potential energy surface for C + H3+ --> CH2(+) + H reaction.

A visual detection of protein content based on titration of moving reaction boundary electrophoresis.

PubMed

Wang, Hou-Yu; Guo, Cheng-Ye; Guo, Chen-Gang; Fan, Liu-Yin; Zhang, Lei; Cao, Cheng-Xi

2013-04-24

A visual electrophoretic titration method was firstly developed from the concept of moving reaction boundary (MRB) for protein content analysis. In the developed method, when the voltage was applied, the hydroxide ions in the cathodic vessel moved towards the anode, and neutralized the carboxyl groups of protein immobilized via highly cross-linked polyacrylamide gel (PAG), generating a MRB between the alkali and the immobilized protein. The boundary moving velocity (V(MRB)) was as a function of protein content, and an acid-base indicator was used to denote the boundary displacement. As a proof of concept, standard model proteins and biological samples were chosen for the experiments to study the feasibility of the developed method. The experiments revealed that good linear calibration functions between V(MRB) and protein content (correlation coefficients R>0.98). The experiments further demonstrated the following merits of developed method: (1) weak influence of non-protein nitrogen additives (e.g., melamine) adulterated in protein samples, (2) good agreement with the classic Kjeldahl method (R=0.9945), (3) fast measuring speed in total protein analysis of large samples from the same source, and (4) low limit of detection (0.02-0.15 mg mL(-1) for protein content), good precision (R.S.D. of intra-day less than 1.7% and inter-day less than 2.7%), and high recoveries (105-107%). Crown Copyright © 2013. Published by Elsevier B.V. All rights reserved.

Fast word reading in pure alexia: "fast, yet serial".

PubMed

Bormann, Tobias; Wolfer, Sascha; Hachmann, Wibke; Neubauer, Claudia; Konieczny, Lars

2015-01-01

Pure alexia is a severe impairment of word reading in which individuals process letters serially with a pronounced length effect. Yet, there is considerable variation in the performance of alexic readers with generally very slow, but also occasionally fast responses, an observation addressed rarely in previous reports. It has been suggested that "fast" responses in pure alexia reflect residual parallel letter processing or that they may even be subserved by an independent reading system. Four experiments assessed fast and slow reading in a participant (DN) with pure alexia. Two behavioral experiments investigated frequency, neighborhood, and length effects in forced fast reading. Two further experiments measured eye movements when DN was forced to read quickly, or could respond faster because words were easier to process. Taken together, there was little support for the proposal that "qualitatively different" mechanisms or reading strategies underlie both types of responses in DN. Instead, fast responses are argued to be generated by the same serial-reading strategy.

Compact and multi-view solid state neutral particle analyzer arrays on National Spherical Torus Experiment-Upgrade

DOE PAGES

Liu, D.; Heidbrink, W. W.; Tritz, K.; ...

2016-07-29

A compact and multi-view solid state neutral particle analyzer (SSNPA) diagnostic based on silicon photodiode arrays has been successfully tested on the National Spherical Torus Experiment-Upgrade. The SSNPA diagnostic provides spatially, temporally, and pitch-angle resolved measurements of fast-ion distribution by detecting fast neutral flux resulting from the charge exchange (CX) reactions. The system consists of three 16-channel subsystems: t-SSNPA viewing the plasma mid-radius and neutral beam (NB) line #2 tangentially, r-SSNPA viewing the plasma core and NB line #1 radially, and p-SSNPA with no intersection with any NB lines. Due to the setup geometry, the active CX signals of t-SSNPAmore » and r-SSNPA are mainly sensitive to passing and trapped particles, respectively. Additionally, both t-SSNPA and r-SSNPA utilize three vertically stacked arrays with different filter thicknesses to obtain coarse energy information. The experimental data show that all channels are operational. The signal to noise ratio is typically larger than 10, and the main noise is x-ray induced signal. The active and passive CX signals are clearly observed on t-SSNPA and r-SSNPA during NB modulation. The SSNPA data also indicate significant losses of passing particles during sawteeth, while trapped particles are weakly affected. Fluctuations up to 120 kHz have been observed on SSNPA, and they are strongly correlated with magnetohydrodynamics instabilities.« less

On fundamental quality of fission chain reaction to oppose rapid runaways of nuclear reactors

NASA Astrophysics Data System (ADS)

Kulikov, G. G.; Shmelev, A. N.; Apse, V. A.; Kulikov, E. G.

2017-01-01

It has been shown that the in-hour equation characterizes the barriers and resistibility of fission chain reaction (FCR) against rapid runaways in nuclear reactors. Traditionally, nuclear reactors are characterized by the presence of barriers based on delayed and prompt neutrons. A new barrier based on the reflector neutrons that can occur when the fast reactor core is surrounded by a weakly absorbing neutron reflector with heavy atomic weight was proposed. It has been shown that the safety of this fast reactor is substantially improved, and considerable elongation of prompt neutron lifetime "devalues" the role of delayed neutron fraction as the maximum permissible reactivity for the reactor safety.

The Effect of Feedback Schedule Manipulation on Speech Priming Patterns and Reaction Time

ERIC Educational Resources Information Center

Slocomb, Dana; Spencer, Kristie A.

2009-01-01

Speech priming tasks are frequently used to delineate stages in the speech process such as lexical retrieval and motor programming. These tasks, often measured in reaction time (RT), require fast and accurate responses, reflecting maximized participant performance, to result in robust priming effects. Encouraging speed and accuracy in responding…

Direct observation of forward-scattering oscillations in the H+HD→H2+D reaction.

PubMed

Yuan, Daofu; Yu, Shengrui; Chen, Wentao; Sang, Jiwei; Luo, Chang; Wang, Tao; Xu, Xin; Casavecchia, Piergiorgio; Wang, Xingan; Sun, Zhigang; Zhang, Dong H; Yang, Xueming

2018-06-01

Accurate measurements of product state-resolved angular distributions are central to fundamental studies of chemical reaction dynamics. Yet, fine quantum-mechanical structures in product angular distributions of a reactive scattering process, such as the fast oscillations in the forward-scattering direction, have never been observed experimentally and the nature of these oscillations has not been fully explored. Here we report the crossed-molecular-beam experimental observation of these fast forward-scattering oscillations in the product angular distribution of the benchmark chemical reaction, H + HD → H 2  + D. Clear oscillatory structures are observed for the H 2 (v' = 0, j' = 1, 3) product states at a collision energy of 1.35 eV, in excellent agreement with the quantum-mechanical dynamics calculations. Our analysis reveals that the oscillatory forward-scattering components are mainly contributed by the total angular momentum J around 28. The partial waves and impact parameters responsible for the forward scatterings are also determined from these observed oscillations, providing crucial dynamics information on the transient reaction process.

Effect of operating parameters on bio-fuel production from waste furniture sawdust.

PubMed

Uzun, Basak Burcu; Kanmaz, Gülin

2013-04-01

Fast pyrolysis is an effective technology for conversion of biomass into energy and value-added chemicals instead of burning them directly. In this study, fast pyrolysis of waste furniture sawdust (pine sawdust) was investigated under various reaction conditions (reaction time, pyrolysis temperature, heating rate, residence time and particle size) in a tubular reactor. The optimum reaction conditions for bio-oil production was found as reaction time of 5 min, pyrolysis temperature of 500 °C, heating rate of 300 °C min(-1) under nitrogen flow rate of 400 cm(3) min(-1). At these conditions, maximum bio-oil yield was obtained as 42.09%. Pyrolysis oils were characterized by using various elemental analyses, fourier - transformation infrared (FT-IR) spectrometry and gas chromatography-mass spectrometry (GC-MS). The results of the GC-MS showed that cracking of large molecular phenolics was followed by partial conversion into phenol and alkylated phenols (45%) during the pyrolysis. According to the experimental and characterization results; the liquid product could be used as feedstock for the chemical industry or petroleum crude for refinery.

Interpretation of K-Ar dates of illitic clays from sedimentary rocks aided by modeling

USGS Publications Warehouse

Srodon, J.; Clauer, Norbert; Eberl, D.D.D.

2002-01-01

K-Ar dates of illitic clays from sedimentary rocks may contain "mixed ages," i.e., may have ages that are intermediate between the ages of end-member events. Two phenomena that may cause mixed ages are: (1) long-lasting reaction during the burial illitization of smectite: and (2) physical mixing of detrital and diagenetic components. The first phenomenon was investigated by simulation of illitization reactions using a nucleation and growth mechanism. These calculations indicate that values for mixed ages are related to burial history: for an equivalent length of reaction time, fast burial followed by slow burial produces much older mixed ages than slow burial followed by fast. The type of reaction that occured in a rock can be determined from the distribution of ages with respect to the thickness of illite crystals. Dating of artificial mixtures confirms a non-linear relation between mixed ages and the proportions of the components. Vertical variation of K-Ar age dates from Gulf Coast shales can be modeled by assuming diagenetic illitization that overprints a subtle vertical trend (presumably of sedimentary origin) in detrital mineral content.

A long-term bench-scale investigation of permanganate consumption by aquifer materials.

PubMed

Xu, Xiuyuan; Thomson, Neil R

2009-11-20

In situ chemical oxidation (ISCO) applications using permanganate involve the injection or release of permanganate into the subsurface to destroy various target contaminants. Naturally occurring reduced components associated with aquifer materials can exert a significant oxidant demand thereby reducing the amount of permanganate available for the destruction of contaminants as well as reducing the overall rate of oxidation. Quantification of this natural oxidant demand (NOD) is a requirement for site-specific assessment and the design of cost-effective oxidant delivery systems. To further our understanding of the interaction between permanganate and aquifer materials, aerobic and anaerobic aquifer materials from eight representative sites throughout North America were tested in a series of systematic bench-scale experiments. Various permanganate to aquifer solids mass loading ratios at different initial permanganate concentrations in well-mixed batch reactors were monitored for >300 days. All NOD temporal profiles demonstrated an initial fast consumption rate followed by a persistent slower consumption rate. The data generated show that the mass loading ratio, the initial permanganate concentration, and the nature and quantity of reduced aquifer material species are the main factors controlling permanganate consumption rates. A higher initial permanganate concentration or a larger mass loading ratio produced a larger fast NOD consumption rate and generated a corresponding higher maximum NOD value. Hence, both the NOD temporal profile and the maximum NOD are not single-valued but are heavily dependent on the experimental conditions. Predictive relationships were developed to estimate the maximum NOD and the NOD at 7 days based on aquifer material properties. The concentration of manganese oxides deposited on the aquifer solids was highly correlated with the mass of permanganate consumed suggesting that passivation of NOD reaction sites occurred due to the formation of manganese oxide coating on the grains. A long-term NOD kinetic model was developed assuming a single fast and slow reacting oxidizable aquifer material species, passivation of NOD reaction sites, and the presence of an autocatalytic reaction. The developed model was able to successfully capture the observed NOD temporal profiles, and can be used to estimate in situ NOD behavior using batch reactor experimental data. The use of batch tests to provide data representative of in situ conditions should be used with caution.

Reduced gamma frequency in the medial frontal cortex of aged rats during behavior and rest: implications for age-related behavioral slowing.

PubMed

Insel, Nathan; Patron, Lilian A; Hoang, Lan T; Nematollahi, Saman; Schimanski, Lesley A; Lipa, Peter; Barnes, Carol A

2012-11-14

Age-related cognitive and behavioral slowing may be caused by changes in the speed of neural signaling or by changes in the number of signaling steps necessary to achieve a given function. In the mammalian cortex, neural communication is organized by a 30-100 Hz "gamma" oscillation. There is a putative link between the gamma frequency and the speed of processing in a neural network: the dynamics of pyramidal neuron membrane time constants suggest that synaptic integration is framed by the gamma cycle, and pharmacological slowing of gamma also slows reaction times on behavioral tasks. The present experiments identify reductions in a robust 40-70 Hz gamma oscillation in the aged rat medial frontal cortex. The reductions were observed in the form of local field potentials, later peaks in fast-spiking neuron autocorrelations, and delays in the spiking of inhibitory neurons following local excitatory signals. Gamma frequency did not vary with movement speed, but rats with slower gamma also moved more slowly. Gamma frequency age differences were not observed in hippocampus. Hippocampal CA1 fast-spiking neurons exhibited interspike intervals consistent with a fast (70-100 Hz) gamma frequency, a pattern maintained across theta phases and theta frequencies independent of fluctuations in the average firing rates of the neurons. We propose that an average lengthening of the cortical 15-25 ms gamma cycle is one factor contributing to age-related slowing and that future attempts to offset cognitive declines will find a target in the response of fast-spiking inhibitory neurons to excitatory inputs.

Topography of Slow Sigma Power during Sleep is Associated with Processing Speed in Preschool Children.

PubMed

Doucette, Margaret R; Kurth, Salome; Chevalier, Nicolas; Munakata, Yuko; LeBourgeois, Monique K

2015-11-04

Cognitive development is influenced by maturational changes in processing speed, a construct reflecting the rapidity of executing cognitive operations. Although cognitive ability and processing speed are linked to spindles and sigma power in the sleep electroencephalogram (EEG), little is known about such associations in early childhood, a time of major neuronal refinement. We calculated EEG power for slow (10-13 Hz) and fast (13.25-17 Hz) sigma power from all-night high-density electroencephalography (EEG) in a cross-sectional sample of healthy preschool children (n = 10, 4.3 ± 1.0 years). Processing speed was assessed as simple reaction time. On average, reaction time was 1409 ± 251 ms; slow sigma power was 4.0 ± 1.5 μV²; and fast sigma power was 0.9 ± 0.2 μV². Both slow and fast sigma power predominated over central areas. Only slow sigma power was correlated with processing speed in a large parietal electrode cluster (p < 0.05, r ranging from -0.6 to -0.8), such that greater power predicted faster reaction time. Our findings indicate regional correlates between sigma power and processing speed that are specific to early childhood and provide novel insights into the neurobiological features of the EEG that may underlie developing cognitive abilities.

Kinetic studies on phosphorus sorption by selected soil amendments for septic tank effluent renovation.

PubMed

Cheung, K C; Venkitachalam, T H

2006-01-01

A systematic kinetic study of phosphorus (P) sorption by various materials in the soil infiltration system of septic tanks was undertaken by following the time course of P sorption by sorbents in contact with various P solutions over periods up to 360 days. Uptake of P seemed to consist of two distinct stages. Initial uptake was very rapid and this phase was completed in 4 days or less. A slower removal stage followed for some materials over many months. Phosphorus sorption during the fast reaction stage appeared to be associated with the soluble Ca content of the materials. The fast reaction of calcareous materials accounted for the bulk (>70%) of the total P removed. Merribrook loamy sand exhibited the highest proportion of P sorption during the slow phase. It should be noted, however, that for solution P concentrations in the range found in typical effluents (approximately 20 mg L(-1)) the fast reaction phase seemed to be responsible for virtually all P removed. None of the six kinetic formulae examined possessed the sophistication and detail needed to portray accurately the time course of P sorption for all the sorbents investigated. The Elovich equation and the kinetic modification of the Freundlich isotherm expression appeared to provide a reasonable fit of the experimental data.

Fast reduction of a copper center in laccase by nitric oxide and formation of a peroxide intermediate.

PubMed

Torres, Jaume; Svistunenko, Dimitri; Karlsson, Bo; Cooper, Chris E; Wilson, Michael T

2002-02-13

The rapid reduction of one of the copper atoms (type 2) of tree laccase by nitric oxide (NO) has been detected. Addition of NO to native laccase in the presence of oxygen leads to EPR changes consistent with fast reduction and slow reoxidation of this metal center. These events are paralleled by optical changes that are reminiscent of formation and decay of the peroxide intermediate in a fraction of the enzyme population. Formation of this species is only possible if the trinuclear copper cluster (type 2 plus type 3) is fully reduced. This condition can only be met if, as suggested previously, a fraction of the enzyme contains both type 3 coppers already reduced before addition of NO. Our data are consistent with this assumption. We have suggested recently that fast reduction of copper is the mechanism by which NO interacts with the oxidized dinuclear center in cytochrome c oxidase. The present experiments using laccase strongly support this view and suggest this reaction as a general mechanism by which copper proteins interact with NO. In addition, this provides an unexploited way to produce a stable peroxide intermediate in copper oxidases in which the full complement of copper atoms is present. This enables the O-O scission step in the catalytic cycle to be studied by electron addition to the peroxide derivative through the native electron entry site, type 1 copper.

Synthesis of kaolin supported nanoscale zero-valent iron and its degradation mechanism of Direct Fast Black G in aqueous solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jin, Xiaoying; Chen, Zhengxian; Zhou, Rongbing

2015-01-15

Graphical abstract: UV–visible spectra of DFBG solution using K-nZVI (1:1) nanoparticles. (a) Before reaction; (b) during reaction; (c) after reaction. - Highlights: • Kaolin-supported Fe{sup 0} nanoparticle (K-nZVI) was synthesized. • Degradation of Direct Fast Black by K-nZVI was studied. • K-nZVI was characterized by SEM, XRD, UV and FIIR. • Degradation mechanism of Direct Fast Black was proposed. - Abstract: Calcinated kaolin supported nanoscale zero-valent iron (K-nZVI) was synthesized and used for the removal of tetrad azo-group dye-Direct Fast Black G (DFBG) from aqueous solution. The results demonstrated that after reacting for 10 min with an initial concentration ofmore » DFBG 100 mg L{sup −1} (pH 9.49), 78.60% of DFBG was removed using K-nZVI, while only 41.39% and 12.56% of DFBG were removed using nZVI and kaolin, respectively. K-nZVI with a mass ratio of nZVI nanoparticles versus kaolin at 1:1 was found to have a high degree of reactivity. Furthermore, scanning electron microscopy (SEM) confirmed that nZVI was better dispersed when kaolin was present. XRD patterns indicated that iron oxides were formed after reaction. Fourier transforms infrared spectra (FTIR) and UV–visible demonstrated that the peak in the visible light region of DFBG was degraded and new bands were observed. Kinetics studies showed that the degradation of DFBG fitted well to the pseudo first-order model. The degradation of DFBG by K-nZVI was based on its adsorption onto kaolin and iron oxides, and subsequently reduction using nZVI was proposed. A significant outcome emerged in that 99.84% of DFBG in wastewater was removed using K-nZVI after reacting for 60 min.« less

Ground reaction forces in shallow water running are affected by immersion level, running speed and gender.

PubMed

Haupenthal, Alessandro; Fontana, Heiliane de Brito; Ruschel, Caroline; dos Santos, Daniela Pacheco; Roesler, Helio

2013-07-01

To analyze the effect of depth of immersion, running speed and gender on ground reaction forces during water running. Controlled laboratory study. Twenty adults (ten male and ten female) participated by running at two levels of immersion (hip and chest) and two speed conditions (slow and fast). Data were collected using an underwater force platform. The following variables were analyzed: vertical force peak (Fy), loading rate (LR) and anterior force peak (Fx anterior). Three-factor mixed ANOVA was used to analyze data. Significant effects of immersion level, speed and gender on Fy were observed, without interaction between factors. Fy was greater when females ran fast at the hip level. There was a significant increase in LR with a reduction in the level of immersion regardless of the speed and gender. No effect of speed or gender on LR was observed. Regarding Fx anterior, significant interaction between speed and immersion level was found: in the slow condition, participants presented greater values at chest immersion, whereas, during the fast running condition, greater values were observed at hip level. The effect of gender was only significant during fast water running, with Fx anterior being greater in the men group. Increasing speed raised Fx anterior significantly irrespective of the level of immersion and gender. The magnitude of ground reaction forces during shallow water running are affected by immersion level, running speed and gender and, for this reason, these factors should be taken into account during exercise prescription. Copyright © 2012 Sports Medicine Australia. Published by Elsevier Ltd. All rights reserved.

Online monitoring of chemical reactions by polarization-induced electrospray ionization.

PubMed

Meher, Anil Kumar; Chen, Yu-Chie

2016-09-21

Polarization-induced electrospray ionization (PI-ESI) is a simple technique for instant generation of gas-phase ions directly from a microliter-sized droplet for mass spectrometric analysis. A sample droplet was placed over a dielectric substrate and in proximity (2-3 mm) to the inlet of a mass spectrometer. Owing to the polarization effect induced by the high electric field provided by the mass spectrometer, the droplet was polarized and the electrospray was generated from the apex of the droplet. The polarization-induced electrospray could last for tens of seconds, which was sufficiently long to monitor fast reactions occurring within few seconds. Thus, we demonstrated the feasibility of using the droplet-based PI-ESI MS for the online monitoring of fast reactions by simply mixing two droplets (5-10 μL) containing reactants on a dielectric substrate placed in front of a mass spectrometer applied with a high voltage (-4500 V). Schiff base reactions and oxidation reactions that can generate intermediates/products within a few seconds were selected as the model reactions. The ionic reaction species generated from intermediates and products can be simultaneously monitored by PI-ESI MS in real time. We also used this approach to selectively detect acetone from a urine sample, in which acetone was derivatized in situ. In addition, the possibility of using this approach for quantitative analysis of acetone from urine samples was examined. Copyright © 2016 Elsevier B.V. All rights reserved.

Controlled nitric oxide production via O( 1D)+N 2O reactions for use in oxidation flow reactor studies

DOE PAGES

Lambe, Andrew; Massoli, Paola; Zhang, Xuan; ...

2017-06-22

Oxidation flow reactors that use low-pressure mercury lamps to produce hydroxyl (OH) radicals are an emerging technique for studying the oxidative aging of organic aerosols. Here, ozone (O 3) is photolyzed at 254 nm to produce O( 1D) radicals, which react with water vapor to produce OH. However, the need to use parts-per-million levels of O 3 hinders the ability of oxidation flow reactors to simulate NO x-dependent secondary organic aerosol (SOA) formation pathways. Simple addition of nitric oxide (NO) results in fast conversion of NO x (NO+NO 2) to nitric acid (HNO 3), making it impossible to sustain NOmore » x at levels that are sufficient to compete with hydroperoxy (HO 2) radicals as a sink for organic peroxy (RO 2) radicals. We developed a new method that is well suited to the characterization of NO x-dependent SOA formation pathways in oxidation flow reactors. NO and NO 2 are produced via the reaction O( 1D) + N 2O → 2NO, followed by the reaction NO + O 3 → NO 2+O 2. Laboratory measurements coupled with photochemical model simulations suggest that O( 1D) + N 2O reactions can be used to systematically vary the relative branching ratio of RO 2 + NO reactions relative to RO 2 + HO 2 and/or RO 2 + RO 2 reactions over a range of conditions relevant to atmospheric SOA formation. We demonstrate proof of concept using high-resolution time-of-flight chemical ionization mass spectrometer (HR-ToF-CIMS) measurements with nitrate (NO 3 -) reagent ion to detect gas-phase oxidation products of isoprene and α-pinene previously observed in NO x-influenced environments and in laboratory chamber experiments.« less

Controlled nitric oxide production via O(1D) + N2O reactions for use in oxidation flow reactor studies

NASA Astrophysics Data System (ADS)

Lambe, Andrew; Massoli, Paola; Zhang, Xuan; Canagaratna, Manjula; Nowak, John; Daube, Conner; Yan, Chao; Nie, Wei; Onasch, Timothy; Jayne, John; Kolb, Charles; Davidovits, Paul; Worsnop, Douglas; Brune, William

2017-06-01

Oxidation flow reactors that use low-pressure mercury lamps to produce hydroxyl (OH) radicals are an emerging technique for studying the oxidative aging of organic aerosols. Here, ozone (O3) is photolyzed at 254 nm to produce O(1D) radicals, which react with water vapor to produce OH. However, the need to use parts-per-million levels of O3 hinders the ability of oxidation flow reactors to simulate NOx-dependent secondary organic aerosol (SOA) formation pathways. Simple addition of nitric oxide (NO) results in fast conversion of NOx (NO + NO2) to nitric acid (HNO3), making it impossible to sustain NOx at levels that are sufficient to compete with hydroperoxy (HO2) radicals as a sink for organic peroxy (RO2) radicals. We developed a new method that is well suited to the characterization of NOx-dependent SOA formation pathways in oxidation flow reactors. NO and NO2 are produced via the reaction O(1D) + N2O → 2NO, followed by the reaction NO + O3 → NO2 + O2. Laboratory measurements coupled with photochemical model simulations suggest that O(1D) + N2O reactions can be used to systematically vary the relative branching ratio of RO2 + NO reactions relative to RO2 + HO2 and/or RO2 + RO2 reactions over a range of conditions relevant to atmospheric SOA formation. We demonstrate proof of concept using high-resolution time-of-flight chemical ionization mass spectrometer (HR-ToF-CIMS) measurements with nitrate (NO3-) reagent ion to detect gas-phase oxidation products of isoprene and α-pinene previously observed in NOx-influenced environments and in laboratory chamber experiments.

Controlled nitric oxide production via O( 1D)+N 2O reactions for use in oxidation flow reactor studies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lambe, Andrew; Massoli, Paola; Zhang, Xuan

Oxidation flow reactors that use low-pressure mercury lamps to produce hydroxyl (OH) radicals are an emerging technique for studying the oxidative aging of organic aerosols. Here, ozone (O 3) is photolyzed at 254 nm to produce O( 1D) radicals, which react with water vapor to produce OH. However, the need to use parts-per-million levels of O 3 hinders the ability of oxidation flow reactors to simulate NO x-dependent secondary organic aerosol (SOA) formation pathways. Simple addition of nitric oxide (NO) results in fast conversion of NO x (NO+NO 2) to nitric acid (HNO 3), making it impossible to sustain NOmore » x at levels that are sufficient to compete with hydroperoxy (HO 2) radicals as a sink for organic peroxy (RO 2) radicals. We developed a new method that is well suited to the characterization of NO x-dependent SOA formation pathways in oxidation flow reactors. NO and NO 2 are produced via the reaction O( 1D) + N 2O → 2NO, followed by the reaction NO + O 3 → NO 2+O 2. Laboratory measurements coupled with photochemical model simulations suggest that O( 1D) + N 2O reactions can be used to systematically vary the relative branching ratio of RO 2 + NO reactions relative to RO 2 + HO 2 and/or RO 2 + RO 2 reactions over a range of conditions relevant to atmospheric SOA formation. We demonstrate proof of concept using high-resolution time-of-flight chemical ionization mass spectrometer (HR-ToF-CIMS) measurements with nitrate (NO 3 -) reagent ion to detect gas-phase oxidation products of isoprene and α-pinene previously observed in NO x-influenced environments and in laboratory chamber experiments.« less

Controlled Nitric Oxide Production via O(1D) + N2O Reactions for Use in Oxidation Flow Reactor Studies

NASA Technical Reports Server (NTRS)

Lambe, Andrew; Massoli, Paola; Zhang, Xuan; Canagaratna, Manjula; Nowak, John; Daube, Conner; Yan, Chao; Nie, Wei; Onasch, Timothy; Jayne, John;

Electrochemistry in the mimicry of oxidative drug metabolism by cytochrome P450s.

PubMed

Nouri-Nigjeh, Eslam; Bischoff, Rainer; Bruins, Andries P; Permentier, Hjalmar P

2011-05-01

Prediction of oxidative drug metabolism at the early stages of drug discovery and development requires fast and accurate analytical techniques to mimic the in vivo oxidation reactions by cytochrome P450s (CYP). Direct electrochemical oxidation combined with mass spectrometry, although limited to the oxidation reactions initiated by charge transfer, has shown promise in the mimicry of certain CYP-mediated metabolic reactions. The electrochemical approach may further be utilized in an automated manner in microfluidics devices facilitating fast screening of oxidative drug metabolism. A wide range of in vivo oxidation reactions, particularly those initiated by hydrogen atom transfer, can be imitated through the electrochemically-assisted Fenton reaction. This reaction is based on O-O bond activation in hydrogen peroxide and oxidation by hydroxyl radicals, wherein electrochemistry is used for the reduction of molecular oxygen to hydrogen peroxide, as well as the reduction of Fe(3+) to Fe(2+). Metalloporphyrins, as surrogates for the prosthetic group in CYP, utilizing metallo-oxo reactive species, can also be used in combination with electrochemistry. Electrochemical reduction of metalloporphyrins in solution or immobilized on the electrode surface activates molecular oxygen in a manner analogous to the catalytical cycle of CYP and different metalloporphyrins can mimic selective oxidation reactions. Chemoselective, stereoselective, and regioselective oxidation reactions may be mimicked using electrodes that have been modified with immobilized enzymes, especially CYP itself. This review summarizes the recent attempts in utilizing electrochemistry as a versatile analytical and preparative technique in the mimicry of oxidative drug metabolism by CYP. © 2011 Bentham Science Publishers Ltd.

Evaluation of simultaneous reduction and transport of selenium in saturated soil columns

NASA Astrophysics Data System (ADS)

Guo, Lei; Frankenberger, William T.; Jury, William A.

1999-03-01

Speciation plays an important role in determining the overall leachability of selenium in soil. In this study we present a mathematical model and results of miscible displacement experiments that were conducted to evaluate simultaneous reduction and transport of selenate in saturated soil columns. The experiments were carried out in organic amended (compost manure or gluten) or unamended soil, with O2-sparged or nonsparged influent solution. In all columns, reduction of selenate was fast enough to produce selenite flux in the effluent and elemental Se in the soil profile during a mean residence time of ˜30 hours. Reduction was accelerated in the presence of organic amendments and under low O2 concentrations, resulting in an increased retardation of selenium transport as a whole. The results of our experiments show that although selenate does not sorb to solid surfaces during transport, it reduces rapidly to forms that are strongly retarded. On the basis of simulation with the consecutive reaction and transport model using parameters derived from this study, selenium is expected to be retained near the soil surface, even under extreme leaching conditions.

Electrophilic activation of alkynes for enyne cycloisomerization reactions with in situ generated early/late heterobimetallic Pt-Ti catalysts.

PubMed

Talley, Michael R; Stokes, Ryjul W; Walker, Whitney K; Michaelis, David J

2016-06-14

In situ formation of heterobimetallic Pt-Ti catalysts enables rapid room temperature catalysis in enyne cycloisomerization reactions. The Lewis acidic titanium atom in the ligand framework is shown to be essential for fast catalysis. A range of enyne substrates are efficiently cyclized to carbocycles and heterocycles in high yield.

Elastic and Inelastic Scattering of Neutrons from Neon and Argon: Impact on Neutrinoless Double-Beta Decay and Dark Matter Experimental Programs

NASA Astrophysics Data System (ADS)

MacMullin, Sean Patrick

In underground physics experiments, such as neutrinoless double-beta decay and dark matter searches, fast neutrons may be the dominant and potentially irreducible source of background. Experimental data for the elastic and inelastic scattering cross sections of neutrons from argon and neon, which are target and shielding materials of interest to the dark matter and neutrinoless double-beta decay communities, were previously unavailable. Unmeasured neutron scattering cross sections are often accounted for incorrectly in Monte-Carlo simulations. Elastic scattering cross sections were measured at the Triangle Universities Nuclear Laboratory (TUNL) using the neutron time-of-flight technique. Angular distributions for neon were measured at 5.0 and 8.0 MeV. One full angular distribution was measured for argon at 6.0 MeV. The cross-section data were compared to calculations using a global optical model. Data were also fit using the spherical optical model. These model fits were used to predict the elastic scattering cross section at unmeasured energies and also provide a benchmark where the global optical models are not well constrained. Partial gamma-ray production cross sections for (n,xngamma ) reactions in natural argon and neon were measured using the broad spectrum neutron beam at the Los Alamos Neutron Science Center (LANSCE). Neutron energies were determined using time of flight and resulting gamma rays from neutron-induced reactions were detected using the GErmanium Array for Neutron Induced Excitations (GEANIE). Partial gamma-ray production cross sections for six transitions in 40Ar, two transitions in 39Ar and the first excited state transitions is 20Ne and 22Ne were measured from threshold to a neutron energy where the gamma-ray yield dropped below the detection sensitivity. Measured (n,xngamma) cross sections were compared with calculations using the TALYS and CoH3 nuclear reaction codes. These new measurements will help to identify potential backgrounds in neutrinoless double-beta decay and dark matter experiments that use argon or neon. The measurements will also aid in the identification of neutron interactions in these experiments through the detection of gamma rays produced by ( n,xngamma) reactions.

Photophysical and photochemical insights into the photodegradation of sulfapyridine in water: A joint experimental and theoretical study.

PubMed

Zhang, Heming; Wei, Xiaoxuan; Song, Xuedan; Shah, Shaheen; Chen, Jingwen; Liu, Jianhui; Hao, Ce; Chen, Zhongfang

2018-01-01

For organic pollutants, photodegradation, as a major abiotic elimination process and of great importance to the environmental fate and risk, involves rather complicated physical and chemical processes of excited molecules. Herein, we systematically studied the photophysical and photochemical processes of a widely used antibiotic, namely sulfapyridine. By means of density functional theory (DFT) computations, we examined the rate constants and the competition of both photophysical and photochemical processes, elucidated the photochemical reaction mechanism, calculated reaction quantum yield (Φ) based on both photophysical and photochemical processes, and subsequently estimated the photodegradation rate constant. We further conducted photolysis experiments to measure the photodegradation rate constant of sulfapyridine. Our computations showed that sulfapyridine at the lowest excited singlet state (S 1 ) mainly undergoes internal conversion to its ground state, and is difficult to transfer to the lowest excited triplet states (T 1 ) via intersystem crossing (ISC) and emit fluorescence. In T 1 state, compared with phosphorescence emission and ISC, chemical reaction is much easier to initiate. Encouragingly, the theoretically predicted photodegradation rate constant is close to the experimentally observed value, indicating that quantum chemistry computation is powerful enough to study photodegradation involving ultra-fast photophysical and photochemical processes. Copyright © 2017 Elsevier Ltd. All rights reserved.

Increased nuclear energy yields from the fast implosion of cold shells driven by nonlinear laser plasma interactions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hora, H.

1976-02-01

The nonlinear interaction force between intense laser fields and cold plasma shells efficiently transforms radiant energy into mechanical energy of implosion. This transfer of energy has been considered before in numerical experiments and it is treated here analytically in a didactic example starting with an inhomogeneous Rayleigh density profile. Up to 50% of the laser energy can be transformed into the energy of compression if a single ''untailored'' pulse of 2.5 x 10/sup 16/ W/cm/sup 2/ intensity and of only a few picosecond duration is used for spherical illumination of a shell. If the pulse is short enough to reducemore » collisional thermalization, then the collapse and compression of the plasma can remain at the threshold of Fermi degeneracy and still be adiabatic. This results in nuclear reaction gains G, based on the deposited energy, E/sub 0/, and without ..cap alpha..-particle reheating, of G=400 for E/sub 0/=2.25 kJ ((D--T reaction), 900 kJ (D--D), 13 MJ (H--B). About 1000 times less laser energy is necessary than in the case of gas dynamic ablation resulting in the same nuclear reaction yields. (AIP)« less

Microwaves in chemistry: Another way of heating reaction mixtures

NASA Astrophysics Data System (ADS)

Berlan, J.

1995-04-01

The question of a possible "microwave activation" of chemical reaction is discussed. In fact two cases should be distinguished: homogeneous or heterogeneous reaction mixtures. In homogeneous mixtures there are no (or very low) rate enhancements compared to a conventional heating, but some influence on chemioselectivity has been observed. These effects derive from fast and mass heating of microwaves, and probably, especially under reflux, from different boiling rates and/or overheating. With heterogeneous mixtures non conventional effects probably derive from mass heating and selective overheating. This is illustrated with several reactions: Diels-Alder, naphthalene sulphonation, preparation of cyanuric acid, hydrolysis of nitriles, transposition reaction on solid support.

A multi-purpose reaction cell for the investigation of reactions under solvothermal conditions

NASA Astrophysics Data System (ADS)

Heidenreich, N.; Rütt, U.; Köppen, M.; Inge, A. Ken; Beier, S.; Dippel, A.-C.; Suren, R.; Stock, N.

2017-10-01

A new versatile and easy-to-use remote-controlled reactor setup aimed at the analysis of chemical reactions under solvothermal conditions has been constructed. The reactor includes a heating system that can precisely control the temperature inside the reaction vessels in a range between ambient temperature and 180 °C. As reaction vessels, two sizes of commercially available borosilicate vessels (Vmax = 5 and 11 ml) can be used. The setup furthermore includes the option of stirring and injecting of up to two liquid additives or one solid during the reaction to initiate very fast reactions, quench reactions, or alter chemical parameters. In addition to a detailed description of the general setup and its functionality, three examples of studies conducted using this setup are presented.

Inorganic Surface Coating with Fast Wetting-Dewetting Transitions for Liquid Manipulations.

PubMed

Yang, Yajie; Zhang, Liaoliao; Wang, Jue; Wang, Xinwei; Duan, Libing; Wang, Nan; Xiao, Fajun; Xie, Yanbo; Zhao, Jianlin

2018-06-06

Liquid manipulation is a fundamental issue for microfluidics and miniaturized sensors. Fast wetting-state transitions by optical methods have proven being efficient for liquid manipulations by organic surface coatings, however rarely been achieved by using inorganic coatings. Here, we report a fast optical-induced wetting-state transition surface achieved by inorganic coating, enabling tens of second transitions for a wetting-dewetting cycle, shortened from an hour, as typically reported. Here, we demonstrate a gravity-driven microfluidic reactor and switch it to a mixer after a second-step exposure in a minimum of within 80 s of UV exposure. The fast wetting-dewetting transition surfaces enable the fast switchable or erasable smart surfaces for water collection, miniature chemical reaction, or sensing systems by using inorganic surface coatings.

Measurement and Interpretation of DT Neutron Emission from Tftr.

NASA Astrophysics Data System (ADS)

McCauley, John Scott, Jr.

A fast-ion diffusion coefficient of 0.1 +/- 0.1 m^2s ^{-1} has been deduced from the triton burnup neutron emission profile measured by a collimated array of helium-4 spectrometers. The experiment was performed with high-power deuterium discharges produced by Princeton University's Tokamak Fusion Test Reactor (TFTR). The fast ions monitored were the 1.0 MeV tritons produced from the d(d,t)p triton burnup reaction. These tritons "burn up" with deuterons and emit a 14 MeV neutron by the d(t, alpha)n reaction. The measured radial profiles of DT emission were compared with the predictions of a computer transport code. The ratio of the measured-to -calculated DT yield is typically 70%. The measured DT profile width is typically 5 cm larger than predicted by the transport code. The radial 14 MeV neutron profile was measured by a radial array of helium-4 recoil neutron spectrometers installed in the TFTR Multichannel Neutron Collimator (MCNC). The spectrometers are capable of measuring the primary and secondary neutron fluxes from deuterium discharges. The response to 14 MeV neutrons of the array has been measured by cross calibrating with the MCNC ZnS detector array when the emission from TFTR is predominantly DT neutrons. The response was also checked by comparing a model of the recoil spectrum based on nuclear physics data to the observed spectrum from ^{252 }Cf, ^{238}Pu -Be, and DT neutron sources. Extensions of this diagnostic to deuterium-tritium plasma and the implications for fusion research are discussed.

Fast quench reactor and method

DOEpatents

Detering, B.A.; Donaldson, A.D.; Fincke, J.R.; Kong, P.C.

1998-05-12

A fast quench reactor includes a reactor chamber having a high temperature heating means such as a plasma torch at its inlet and a restrictive convergent-divergent nozzle at its outlet end. Reactants are injected into the reactor chamber. The resulting heated gaseous stream is then rapidly cooled by passage through the nozzle. This ``freezes`` the desired end product(s) in the heated equilibrium reaction stage. 7 figs.

Slow Manifold and Hannay Angle in the Spinning Top

ERIC Educational Resources Information Center

Berry, M. V.; Shukla, P.

2011-01-01

The spin of a top can be regarded as a fast variable, coupled to the motion of the axis which is slow. In pure precession, the rotation of the axis round a cone (without nutation), can be considered as the result of a reaction from the fast spin. The resulting restriction of the total state space of the top is an illustrative example, at…

Shortened preoperative fasting for prevention of complications associated with laparoscopic cholecystectomy: a meta-analysis.

PubMed

Xu, Duo; Zhu, Xuejiao; Xu, Yuan; Zhang, Liqing

2017-02-01

Objective Routine fasting (12 h) is always applied before laparoscopic cholecystectomy, but prolonged preoperative fasting causes thirst, hunger, and irritability as well as dehydration, low blood glucose, insulin resistance and other adverse reactions. We assessed the safety and efficacy of a shortened preoperative fasting period in patients undergoing laparoscopic cholecystectomy. Methods We searched PubMed, Embase and Cochrane Central Register of Controlled Trials up to 20 November 2015 and selected controlled trials with a shortened fasting time before laparoscopic cholecystectomy. We assessed the results by performing a meta-analysis using a variety of outcome measures and investigated the heterogeneity by subgroup analysis. Results Eleven trials were included. Forest plots showed that a shortened fasting time reduced the operative risk and patient discomfort. A shortened fasting time also reduced postoperative nausea and vomiting as well as operative vomiting. With respect to glucose metabolism, a shortened fasting time significantly reduced abnormalities in the ratio of insulin sensitivity. The C-reactive protein concentration was also reduced by a shortened fasting time. Conclusions A shortened preoperative fasting time increases patients' postoperative comfort, improves insulin resistance, and reduces stress responses. This evidence supports the clinical application of a shortened fasting time before laparoscopic cholecystectomy.

Ultrafast, 2 min synthesis of monolayer-protected gold nanoclusters (d < 2 nm)

NASA Astrophysics Data System (ADS)

Martin, Matthew N.; Li, Dawei; Dass, Amala; Eah, Sang-Kee

2012-06-01

An ultrafast synthesis method is presented for hexanethiolate-coated gold nanoclusters (d < 2 nm, <250 atoms per nanocluster), which takes only 2 min and can be easily reproduced. With two immiscible solvents, gold nanoclusters are separated from the reaction byproducts fast and easily without any need for post-synthesis cleaning.An ultrafast synthesis method is presented for hexanethiolate-coated gold nanoclusters (d < 2 nm, <250 atoms per nanocluster), which takes only 2 min and can be easily reproduced. With two immiscible solvents, gold nanoclusters are separated from the reaction byproducts fast and easily without any need for post-synthesis cleaning. Electronic supplementary information (ESI) available: Experimental details of gold nanocluster synthesis and mass-spectrometry. See DOI: 10.1039/c2nr30890h

Eco-Friendly Synthesis of Some Thiosemicarbazones and Their Applications as Intermediates for 5-Arylazothiazole Disperse Dyes.

PubMed

Gaffer, Hatem E; Khalifa, Mohamed E

2015-12-09

The solid-solid reactions of thiosemicarbazide with 4-formylantipyrine, 2-acetylpyrrole and camphor were performed to afford the thiosemicarbazones 1-3 which underwent hetero-cyclization with phenacyl bromide to furnish the corresponding thiazole derivatives 4-6. The yields of the reactions are quantitative in all cases and the products do not require further purification. A series of 5-arylazo-2-(substituted ylidene-hydrazinyl)-thiazole dyes 7-9 was then prepared by diazo coupling of thiazole derivatives 4-6 with several diazonium chlorides. The synthesized dyes were applied as disperse dyes for dyeing polyester fabric. The dyed fabrics exhibit good washing, perspiration, sublimation and light fastness properties, with little variation in their moderate to good rubbing fastness.

The role of television viewing and direct experience in predicting adolescents’ beliefs about the health risks of fast-food consumption

PubMed Central

Russell, Cristel Antonia; Buhrau, Denise

2015-01-01

Background Fast-food advertising abounds on television (TV), and programs targeting youth often display fast-food consumption but rarely with any negative consequences. Cultivation research maintains that cumulative exposure to TV influences audiences’ views of and beliefs about the real world. Thus, the amount of TV adolescents watch is likely to bias their views of the consequences of eating fast food. This research posits that this relationship varies as a function of adolescents’ actual experience with fast food. Method Two cross-sectional surveys conducted in the cultivation research tradition assess the relationship between the amount of adolescents’ regular exposure to TV and their beliefs about the risks and benefits of eating fast food. Teenage children of members of online panels reported hours of TV viewing, beliefs about the consequences of eating fast food, and their frequency of fast-food consumption. Results In both studies, beliefs about health risks of fast-food consumption vary as a function of the amount of TV watched. Heavy TV viewers have less negative and more positive beliefs about the consequences of fast-food consumption than light viewers. As direct experience with fast food increases, the relationship between TV viewing and risk perceptions weakens, but the relationship between TV viewing and positive perceptions strengthens. These moderated relationships remain when we control for physical activity (Study 1) and the density of fast-food restaurants in respondents’ geographical area (Study 2). Conclusion Given the role of TV viewing in biasing perceptions of the consequences of eating fast food, public health researchers and practitioners should carefully monitor and perhaps regulate the amount of fast-food advertising on TV and the content of TV programs. PMID:26009205

The role of television viewing and direct experience in predicting adolescents' beliefs about the health risks of fast-food consumption.

PubMed

Russell, Cristel Antonia; Buhrau, Denise

2015-09-01

Fast-food advertising abounds on television (TV), and programs targeting youth often display fast-food consumption but rarely with any negative consequences. Cultivation research maintains that cumulative exposure to TV influences audiences' views of and beliefs about the real world. Thus, the amount of TV adolescents watch is likely to bias their views of the consequences of eating fast food. This research posits that this relationship varies as a function of adolescents' actual experience with fast food. Two cross-sectional surveys conducted in the cultivation research tradition assess the relationship between the amount of adolescents' regular exposure to TV and their beliefs about the risks and benefits of eating fast food. Teenage children of members of online panels reported hours of TV viewing, beliefs about the consequences of eating fast food, and their frequency of fast-food consumption. In both studies, beliefs about health risks of fast-food consumption vary as a function of the amount of TV watched. Heavy TV viewers have less negative and more positive beliefs about the consequences of fast-food consumption than light viewers. As direct experience with fast food increases, the relationship between TV viewing and risk perceptions weakens, but the relationship between TV viewing and positive perceptions strengthens. These moderated relationships remain when we control for physical activity (Study 1) and the density of fast-food restaurants in respondents' geographical area (Study 2). Given the role of TV viewing in biasing perceptions of the consequences of eating fast food, public health researchers and practitioners should carefully monitor and perhaps regulate the amount of fast-food advertising on TV and the content of TV programs. Copyright © 2015 Elsevier Ltd. All rights reserved.

Neutron-capture cross-section measurements of 74Ge and 76Ge in the energy region 0.4-14.8 MeV for neutrinoless double β decay applications

NASA Astrophysics Data System (ADS)

Bhike, Megha; Tornow, Werner

2013-10-01

Fast neutron capture cross sections for the reactions 74Ge(n, γ)75Ge and 76Ge(n, γ)77Ge have been measured in the neutron energy region 0.4-14.8 MeV with the activation method. The results are important to identify backgrounds in the neutrinoless double- β decay experiments GERDA and MAJORANA, which use germanium as both source and detector. Isotopically enriched targets which consisted of 86% of 76Ge and 14% of 74Ge were irradiated with mono-energetic neutrons produced via 3H(p,n)3He, 2H(d,n)3He and 3H(d,n)4He reactions. The cross sections were determined relative to 197Au(n, γ)198Au, 115In(n,n')115mIn and 197Au(n,2n)196Au standard cross sections. The activities of the products were measured using high-resolution γ-ray spctroscopy. The present results are compared with the evaluated data from ENDF/B-VII.1 and TALYS.

Investigations of Nuclear Structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sarantites, Demetrios; Reviol, W.

The proposal addresses studies of nuclear structure at low-energies and development of instrumentation for that purpose. The structure studies deal with features of neutron-rich nuclei with unexplored shapes (football- or pear-shaped nuclei). The regions of interest are: neutron rich nuclei like 132-138Sn, or 48-54Ca, and the Zr, Mo, and Ru isotopes. The tools used can be grouped as follows: either Gammasphere or Gretina multi-gamma detector arrays and auxiliary detectors (Microball, Neutron Shell, and the newly completed Phoswich Wall).The neutron-rich nuclei are accessed by radioactive-beam binary reactions or by 252Cf spontaneous fission. The experiments with heavy radioactive beams aim at excitingmore » the beam nuclei by pick-up or transfer a neutron or a proton from a light target like 13C, 9Be, 11B or 14N .For these binary-reaction studies the Phoswich Wall detector system is essential. It is based on four multi-anode photomultiplier tubes on which CsI and thin fast-timing plastic scintillators are attached. Their signals are digitized with a high density microchip system.« less

The evaluation of experimental data in fast range for n + 56Fe(n,inl)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Qian, Jing; Herman, M.; Ge, Zhigang

Iron is one of the five materials selected for evaluation within the pilot international evaluation project CIELO. Analysis of experimental data for n+ 56Fe reaction is the basis for constraining theoretical calculations and eventual creation of the evaluated file. The detail analysis was performed for inelastic cross sections of neutron induced reactions with 56Fe in the fast range up to 20 MeV where there are significant differences among the main evaluated libraries, mainly caused by the different inelastic scattering cross section measurements. Gamma-ray production cross sections provide a way to gain experimental information about the inelastic cross section. Large discrepanciesmore » between experimental data for the 847-keV gamma ray produced in the 56Fe(n,n 1'γ) reaction were analyzed. In addition, experimental data for elastic scattering cross section between 9.41~11 MeV were used to deduce the inelastic cross section from the unitarity constrain.« less

The evaluation of experimental data in fast range for n + 56Fe(n,inl)

DOE PAGES

Qian, Jing; Herman, M.; Ge, Zhigang; ...

2017-09-13

Iron is one of the five materials selected for evaluation within the pilot international evaluation project CIELO. Analysis of experimental data for n+ 56Fe reaction is the basis for constraining theoretical calculations and eventual creation of the evaluated file. The detail analysis was performed for inelastic cross sections of neutron induced reactions with 56Fe in the fast range up to 20 MeV where there are significant differences among the main evaluated libraries, mainly caused by the different inelastic scattering cross section measurements. Gamma-ray production cross sections provide a way to gain experimental information about the inelastic cross section. Large discrepanciesmore » between experimental data for the 847-keV gamma ray produced in the 56Fe(n,n 1'γ) reaction were analyzed. In addition, experimental data for elastic scattering cross section between 9.41~11 MeV were used to deduce the inelastic cross section from the unitarity constrain.« less

Innovative technologies on fuel assemblies cleaning for sodium fast reactors: First considerations on cleaning process

DOE Office of Scientific and Technical Information (OSTI.GOV)

Simon, N.; Lorcet, H.; Beauchamp, F.

2012-07-01

Within the framework of Sodium Fast Reactor development, innovative fuel assembly cleaning operations are investigated to meet the GEN IV goals of safety and of process development. One of the challenges is to mitigate the Sodium Water Reaction currently used in these processes. The potential applications of aqueous solutions of mineral salts (including the possibility of using redox chemical reactions) to mitigate the Sodium Water Reaction are considered in a first part and a new experimental bench, dedicated to this study, is described. Anhydrous alternative options based on Na/CO{sub 2} interaction are also presented. Then, in a second part, amore » functional study conducted on the cleaning pit is proposed. Based on experimental feedback, some calculations are carried out to estimate the sodium inventory on the fuel elements, and physical methods like hot inert gas sweeping to reduce this inventory are also presented. Finally, the implementation of these innovative solutions in cleaning pits is studied in regard to the expected performances. (authors)« less

Fast and accurate Monte Carlo sampling of first-passage times from Wiener diffusion models.

PubMed

Drugowitsch, Jan

2016-02-11

We present a new, fast approach for drawing boundary crossing samples from Wiener diffusion models. Diffusion models are widely applied to model choices and reaction times in two-choice decisions. Samples from these models can be used to simulate the choices and reaction times they predict. These samples, in turn, can be utilized to adjust the models' parameters to match observed behavior from humans and other animals. Usually, such samples are drawn by simulating a stochastic differential equation in discrete time steps, which is slow and leads to biases in the reaction time estimates. Our method, instead, facilitates known expressions for first-passage time densities, which results in unbiased, exact samples and a hundred to thousand-fold speed increase in typical situations. In its most basic form it is restricted to diffusion models with symmetric boundaries and non-leaky accumulation, but our approach can be extended to also handle asymmetric boundaries or to approximate leaky accumulation.

Compatibility evaluation between La 2Mo 2O 9 fast oxide-ion conductor and Ni-based materials

NASA Astrophysics Data System (ADS)

Corbel, Gwenaël; Lacorre, Philippe

2006-05-01

The chemical reactivity of La 2NiO 4+δ and nickel metal or nickel oxide with fast oxide-ion conductor La 2Mo 2O 9 is investigated in the annealing temperature range between 600 and 1000 °C, using room temperature X-ray powder diffraction. Within the La 2NiO 4+δ/La 2Mo 2O 9 system, subsequent reaction is evidenced at relatively low annealing temperature (600 °C), with formation of La 2MoO 6 and NiO. The reaction is complete at 1000 °C. At reverse, no reaction occurs between Ni or NiO and La 2Mo 2O 9 up to 1000 °C. Together with a previous work [G. Corbel, S. Mestiri, P. Lacorre, Solid State Sci. 7 (2005) 1216], the current study shows that Ni-CGO cermets might be chemically and mechanically compatible anode materials to work with LAMOX electrolytes in solid oxide fuel cells.

An improved reaction path optimization method using a chain of conformations

NASA Astrophysics Data System (ADS)

Asada, Toshio; Sawada, Nozomi; Nishikawa, Takuya; Koseki, Shiro

2018-05-01

The efficient fast path optimization (FPO) method is proposed to optimize the reaction paths on energy surfaces by using chains of conformations. No artificial spring force is used in the FPO method to ensure the equal spacing of adjacent conformations. The FPO method is applied to optimize the reaction path on two model potential surfaces. The use of this method enabled the optimization of the reaction paths with a drastically reduced number of optimization cycles for both potentials. It was also successfully utilized to define the MEP of the isomerization of the glycine molecule in water by FPO method.

Refined scenario of standard Big Bang nucleosynthesis allowing for nonthermal nuclear reactions in the primordial plasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Voronchev, Victor T.; Nakao, Yasuyuki; Nakamura, Makoto

The standard scenario of big bang nucleosynthesis (BBN) is generalized to take into account nonthermal nuclear reactions in the primordial plasma. These reactions are naturally triggered in the BBN epoch by fast particles generated in various exoergic processes. It is found that, although such particles can appreciably enhance the rates of some individual reactions, their influence on the whole process of element production is not significant. The nonthermal corrections to element abundances are obtained to be 0.1% ({sup 3}H), -0.03% ({sup 7}Li), and 0.34 %-0.63% (CNO group).

Car-Parrinello molecular dynamics study of the thermal decomposition of sodium fulminate.

PubMed

Damianos, Konstantina; Frank, Irmgard

2010-07-19

Depending on the metal cation, metal fulminates exhibit a characteristic sensitivity with respect to heat and mechanical stress. In the present paper we study the high-temperature reactions of bulk sodium fulminate using Car-Parrinello molecular dynamics simulations. We find that the initiating reaction is the formation of the fulminate dimer, while in earlier studies an electron transfer was assumed to be the first reaction step. The initial carbon--carbon bond formation is followed by fast consecutive reactions leading to polymerisation. The resulting species remain charged on the timescale of the simulations.

A FRAMEWORK FOR INTERPRETING FAST RADIO TRANSIENTS SEARCH EXPERIMENTS: APPLICATION TO THE V-FASTR EXPERIMENT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trott, Cathryn M.; Tingay, Steven J.; Wayth, Randall B.

2013-04-10

We define a framework for determining constraints on the detection rate of fast transient events from a population of underlying sources, with a view to incorporate beam shape, frequency effects, scattering effects, and detection efficiency into the metric. We then demonstrate a method for combining independent data sets into a single event rate constraint diagram, using a probabilistic approach to the limits on parameter space. We apply this new framework to present the latest results from the V-FASTR experiment, a commensal fast transients search using the Very Long Baseline Array (VLBA). In the 20 cm band, V-FASTR now has themore » ability to probe the regions of parameter space of importance for the observed Lorimer and Keane fast radio transient candidates by combining the information from observations with differing bandwidths, and properly accounting for the source dispersion measure, VLBA antenna beam shape, experiment time sampling, and stochastic nature of events. We then apply the framework to combine the results of the V-FASTR and Allen Telescope Array Fly's Eye experiments, demonstrating their complementarity. Expectations for fast transients experiments for the SKA Phase I dish array are then computed, and the impact of large differential bandwidths is discussed.« less

Cognitive systems in electronic warfare

NASA Astrophysics Data System (ADS)

Kulpa, Krzysztof; Szczepankiewicz, Michał; Żywek, Marcin; Malanowski, Mateusz; Misiurewicz, Jacek; Samczyński, Piotr

2017-04-01

Electronic warfare (EW) techniques were invented 70 years ago and are still being developed, all the time with a key role played by their operators. However, a human operator responds far too slowly for the on-going needs since to be adequate to current threats the EW system reaction should be within 1 ms or less. Too slow reaction defers an achievement of the objectives, and generally may lead to disclosure of the applied strategy and to waste of resources. Developing the adequate response to the threat is a multifaceted matter that requires considerable experience and knowledge on the one hand, and thorough observation of outcomes of the applied strategy on the other hand. Such action requires the use of not only intelligence but also more complex algorithms for automatic control than the classical ones, and it heavily builds on the experience. It is therefore a cognitive task in its nature, and a human operator acts naturally this way. Consequently, a proper training and experience gained are what really matters. As a result of tests and actions in EW the operator builds his own knowledge base, thus, gains a capability of responding to the known threats in a balanced way. New threats, however, are much more challenging since they should be handled as fast as possible but in a fresh and creative manner. To this end, adapting the algorithms of radar jamming protection for the new conditions of the battlefield is an example of such challenging tasks. At present, such adjustments are done in a long feedback loop when the operator, after recognizing the problem, notifies the equipment manufacturers, and then, their engineers work on required solutions accordingly. Thus, the reaction time is counted in years, not a single milliseconds or seconds. Speeding up the response time is therefore the key issue, and a solution to it would be feasible only when cognitive systems were used. A concept of such cognitive system is presented in this paper.

Survivability and reactivity of glycine and alanine in early oceans: effects of meteorite impacts.

PubMed

Umeda, Yuhei; Fukunaga, Nao; Sekine, Toshimori; Furukawa, Yoshihiro; Kakegawa, Takeshi; Kobayashi, Takamichi; Nakazawa, Hiromoto

2016-01-01

Prebiotic oceans might have contained abundant amino acids, and were subjected to meteorite impacts, especially during the late heavy bombardment. It is so far unknown how meteorite impacts affected amino acids in the early oceans. Impact experiments were performed under the conditions where glycine was synthesized from carbon, ammonia, and water, using aqueous solutions containing (13)C-labeled glycine and alanine. Selected amino acids and amines in samples were analyzed with liquid chromatography-mass spectrometry (LC/MS). In particular, the (13)C-labeled reaction products were analyzed to distinguish between run products and contaminants. The results revealed that both amino acids survived partially in the early ocean through meteorite impacts, that part of glycine changed into alanine, and that large amounts of methylamine and ethylamine were formed. Fast decarboxylation was confirmed to occur during such impact processes. Furthermore, the formation of n-butylamine, detected only in the samples recovered from the solutions with additional nitrogen and carbon sources of ammonia and benzene, suggests that chemical reactions to form new biomolecules can proceed through marine impacts. Methylamine and ethylamine from glycine and alanine increased considerably in the presence of hematite rather than olivine under similar impact conditions. These results also suggest that amino acids present in early oceans can contribute further to impact-induced reactions, implying that impact energy plays a potential role in the prebiotic formation of various biomolecules, although the reactions are complicated and depend upon the chemical environments as well.

The discovery of the neutron and its consequences (1930-1940)

NASA Astrophysics Data System (ADS)

Nesvizhevsky, Valery; Villain, Jacques

2017-11-01

In 1930, Walther Bothe and Herbert Becker performed an experiment, which was further improved by Irène and Frédéric Joliot-Curie. These authors, however, misinterpreted their results and believed to have observed γ-rays while they had seen neutrons. After additional experimental verifications, James Chadwick gave the correct interpretation of these experiments in 1932. Immediately, the new particle, the neutron, became an essential actor of nuclear and elementary particle physics, and completely changed the whole research landscape. Enrico Fermi and his group applied it to artificial radioactivity, substituting neutrons to α-rays initially used by Joliot-Curies. They also discovered that slow neutrons were more efficient than fast ones in certain nuclear reactions. A crucial discovery of Otto Hahn, Fritz Straßmann, Lise Meitner, and Otto Frisch, after several misinterpretations of complicated experimental results, was nuclear fission. When Joliot, Halban, and Kowarski demonstrated the possibility of a chain reaction by neutron multiplication due to fission, nuclear physics became a military science, at the very moment when the Second World War was beginning. Later it led to nuclear power applications and use of neutrons as an important tool and object of scientific research at large-scale neutron facilities. The Comptes rendus de l'Académie des sciences were partner of a vivid international debate involving several other journals.

Ultra-fast ipsilateral DPOAE adaptation not modulated by attention?

NASA Astrophysics Data System (ADS)

Dalhoff, Ernst; Zelle, Dennis; Gummer, Anthony W.

2018-05-01

Efferent stimulation of outer hair cells is supposed to attenuate cochlear amplification of sound waves and is accompanied by reduced DPOAE amplitudes. Recently, a method using two subsequent f2 pulses during presentation of a longer f1 pulse was introduced to measure fast ipsilateral adaptation effects on separated DPOAE components. Compensating primary-tone onsets for their latencies at the f2-tonotopic place, the average adaptation measured in four normal-hearing subjects was 5.0 dB with a time constant below 5 ms. In the present study, two experiments were performed to determine the origin of this ultra-fast ipsilateral adaptation effect. The first experiment measured ultra-fast ipsilateral adaptation using a two-pulse paradigm at three frequencies in the four subjects, while controlling for visual attention of the subjects. The other experiment also controlled for visual attention, but utilized a sequence of f2 short pulses in the presence of a continuous f1 tone to sample ipsilateral adaptation effects with longer time constants in eight subjects. In the first experiment, no significant change in the ultra-fast adaptation between non-directed attention and visual attention could be detected. In contrast, the second experiment revealed significant changes in the magnitude of the slower ipsilateral adaptation in the visual-attention condition. In conclusion, the lack of an attentional influence indicates that the ultra-fast ipsilateral DPOAE adaptation is not solely mediated by the medial olivocochlear reflex.

A multi-scaled approach for simulating chemical reaction systems.

PubMed

Burrage, Kevin; Tian, Tianhai; Burrage, Pamela

2004-01-01

In this paper we give an overview of some very recent work, as well as presenting a new approach, on the stochastic simulation of multi-scaled systems involving chemical reactions. In many biological systems (such as genetic regulation and cellular dynamics) there is a mix between small numbers of key regulatory proteins, and medium and large numbers of molecules. In addition, it is important to be able to follow the trajectories of individual molecules by taking proper account of the randomness inherent in such a system. We describe different types of simulation techniques (including the stochastic simulation algorithm, Poisson Runge-Kutta methods and the balanced Euler method) for treating simulations in the three different reaction regimes: slow, medium and fast. We then review some recent techniques on the treatment of coupled slow and fast reactions for stochastic chemical kinetics and present a new approach which couples the three regimes mentioned above. We then apply this approach to a biologically inspired problem involving the expression and activity of LacZ and LacY proteins in E. coli, and conclude with a discussion on the significance of this work. Copyright 2004 Elsevier Ltd.

One‐Dimensional Earth‐Abundant Nanomaterials for Water‐Splitting Electrocatalysts

PubMed Central

Li, Jun

2016-01-01

Hydrogen fuel acquisition based on electrochemical or photoelectrochemical water splitting represents one of the most promising means for the fast increase of global energy need, capable of offering a clean and sustainable energy resource with zero carbon footprints in the environment. The key to the success of this goal is the realization of robust earth‐abundant materials and cost‐effective reaction processes that can catalyze both hydrogen evolution reaction (HER) and oxygen evolution reaction (OER), with high efficiency and stability. In the past decade, one‐dimensional (1D) nanomaterials and nanostructures have been substantially investigated for their potential in serving as these electrocatalysts for reducing overpotentials and increasing catalytic activity, due to their high electrochemically active surface area, fast charge transport, efficient mass transport of reactant species, and effective release of gas produced. In this review, we summarize the recent progress in developing new 1D nanomaterials as catalysts for HER, OER, as well as bifunctional electrocatalysts for both half reactions. Different categories of earth‐abundant materials including metal‐based and metal‐free catalysts are introduced, with their representative results presented. The challenges and perspectives in this field are also discussed. PMID:28331791

Optimization of Thermal Neutron Converter in SiC Sensors for Spectral Radiation Measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Krolikowski, Igor; Cetnar, Jerzy; Issa, Fatima

2015-07-01

Optimization of the neutron converter in SiC sensors is presented. The sensors are used for spectral radiation measurements of thermal and fast neutrons and optionally gamma ray at elevated temperature in harsh radiation environment. The neutron converter, which is based on 10B, allows to detect thermal neutrons by means of neutron capture reaction. Two construction of the sensors were used to measure radiation in experiments. Sensor responses collected in experiments have been reproduced by the computer tool created by authors, it allows to validate the tool. The tool creates the response matrix function describing the characteristic of the sensors andmore » it was used for detailed analyses of the sensor responses. Obtained results help to optimize the neutron converter in order to increase thermal neutron detection. Several enhanced construction of the sensors, which includes the neutron converter based on {sup 10}B or {sup 6}Li, were proposed. (authors)« less

Results of the SOLCON FREESTAR Total Solar Irradiance measurements

NASA Astrophysics Data System (ADS)

Dewitte, S.; Joukoff, A.; Crommelynck, D.

2003-04-01

The measurement of the Total Solar Irradiance from space is ongoing since 1978. A long term series requires the combination of the time limited measurements of individual measurements. The accuracy of the long term series is limited by the absolute accuracy of the instruments, and by their ageing in space, due to exposure to UV radiation. As a reference for the combination of the different instruments, we use the measurements of the SOLar CONstant (SOLCON) instrument, which is flown regularly on the space shuttle. In this paper we will present the results of the most recent SOLCON flight, which is the Fast Reaction Experiments Enabling Science, Technology, Applications and Research (FREESTAR) flight foreseen from 16 Jan. 2003 to 1 Feb. 2003. The anticipated results are: 1) comparison of SOLCON with the new instruments Active Cavity Radiometer Irradiance Monitor (ACRIM) III, and 2) the Total Irradiance Monitor (TIM) on the Solar Radiation and Climate Experiment (SORCE) satellite, 3) verification of the ageing of the Variability of IRradiance and Gravity Oscillations (VIRGO) radiometers.

An induction reactor for studying crude-oil oxidation relevant to in situ combustion.

PubMed

Bazargan, Mohammad; Lapene, Alexandre; Chen, Bo; Castanier, Louis M; Kovscek, Anthony R

2013-07-01

In a conventional ramped temperature oxidation kinetics cell experiment, an electrical furnace is used to ramp temperature at a prescribed rate. Thus, the heating rate of a kinetics cell experiment is limited by furnace performance to heating rates of about 0.5-3 °C/min. A new reactor has been designed to overcome this limit. It uses an induction heating method to ramp temperature. Induction heating is fast and easily controlled. The new reactor covers heating rates from 1 to 30 °C/min. This is the first time that the oxidation profiles of a crude oil are available over such a wide range of heating rate. The results from an induction reactor and a conventional kinetics cell at roughly 2 °C/min are compared to illustrate consistency between the two reactors. The results at low heating rate are the same as the conventional kinetics cell. As presented in the paper, the new reactor couples well with the isoconversional method for interpretation of reaction kinetics.

Characterizing a fast-response, low-afterglow liquid scintillator for neutron time-of-flight diagnostics in fast ignition experiments.

PubMed

Abe, Y; Hosoda, H; Arikawa, Y; Nagai, T; Kojima, S; Sakata, S; Inoue, H; Iwasa, Y; Iwano, K; Yamanoi, K; Fujioka, S; Nakai, M; Sarukura, N; Shiraga, H; Norimatsu, T; Azechi, H

2014-11-01

The characteristics of oxygen-enriched liquid scintillators with very low afterglow are investigated and optimized for application to a single-hit neutron spectrometer for fast ignition experiments. It is found that 1,2,4-trimethylbenzene has better characteristics as a liquid scintillator solvent than the conventional solvent, p-xylene. In addition, a benzophenon-doped BBQ liquid scintillator is shown to demonstrate very rapid time response, and therefore has potential for further use in neutron diagnostics with fast time resolution.

Fast-ion distributions from third harmonic ICRF heating studied with neutron emission spectroscopy

NASA Astrophysics Data System (ADS)

Hellesen, C.; Gatu Johnson, M.; Andersson Sundén, E.; Conroy, S.; Ericsson, G.; Eriksson, J.; Sjöstrand, H.; Weiszflog, M.; Johnson, T.; Gorini, G.; Nocente, M.; Tardocchi, M.; Kiptily, V. G.; Pinches, S. D.; Sharapov, S. E.; EFDA Contributors, JET

2013-11-01

The fast-ion distribution from third harmonic ion cyclotron resonance frequency (ICRF) heating on the Joint European Torus is studied using neutron emission spectroscopy with the time-of-flight spectrometer TOFOR. The energy dependence of the fast deuteron distribution function is inferred from the measured spectrum of neutrons born in DD fusion reactions, and the inferred distribution is compared with theoretical models for ICRF heating. Good agreements between modelling and measurements are seen with clear features in the fast-ion distribution function, that are due to the finite Larmor radius of the resonating ions, replicated. Strong synergetic effects between ICRF and neutral beam injection heating were also seen. The total energy content of the fast-ion population derived from TOFOR data was in good agreement with magnetic measurements for values below 350 kJ.

From perception to action: phase-locked gamma oscillations correlate with reaction times in a speeded response task

PubMed Central

Fründ, Ingo; Busch, Niko A; Schadow, Jeanette; Körner, Ursula; Herrmann, Christoph S

2007-01-01

Background Phase-locked gamma oscillations have so far mainly been described in relation to perceptual processes such as sensation, attention or memory matching. Due to its very short latency (≈90 ms) such oscillations are a plausible candidate for very rapid integration of sensory and motor processes. Results We measured EEG in 13 healthy participants in a speeded reaction task. Participants had to press a button as fast as possible whenever a visual stimulus was presented. The stimulus was always identical and did not have to be discriminated from other possible stimuli. In trials in which the participants showed a fast response, a slow negative potential over central electrodes starting approximately 800 ms before the response and highly phase-locked gamma oscillations over central and posterior electrodes between 90 and 140 ms after the stimulus were observed. In trials in which the participants showed a slow response, no slow negative potential was observed and phase-locked gamma oscillations were significantly reduced. Furthermore, for slow response trials the phase-locked gamma oscillations were significantly delayed with respect to fast response trials. Conclusion These results indicate the relevance of phase-locked gamma oscillations for very fast (not necessarily detailed) integration processes. PMID:17439642

Topography of Slow Sigma Power during Sleep is Associated with Processing Speed in Preschool Children

PubMed Central

Doucette, Margaret R.; Kurth, Salome; Chevalier, Nicolas; Munakata, Yuko; LeBourgeois, Monique K.

2015-01-01

Cognitive development is influenced by maturational changes in processing speed, a construct reflecting the rapidity of executing cognitive operations. Although cognitive ability and processing speed are linked to spindles and sigma power in the sleep electroencephalogram (EEG), little is known about such associations in early childhood, a time of major neuronal refinement. We calculated EEG power for slow (10–13 Hz) and fast (13.25–17 Hz) sigma power from all-night high-density electroencephalography (EEG) in a cross-sectional sample of healthy preschool children (n = 10, 4.3 ± 1.0 years). Processing speed was assessed as simple reaction time. On average, reaction time was 1409 ± 251 ms; slow sigma power was 4.0 ± 1.5 μV2; and fast sigma power was 0.9 ± 0.2 μV2. Both slow and fast sigma power predominated over central areas. Only slow sigma power was correlated with processing speed in a large parietal electrode cluster (p < 0.05, r ranging from −0.6 to −0.8), such that greater power predicted faster reaction time. Our findings indicate regional correlates between sigma power and processing speed that are specific to early childhood and provide novel insights into the neurobiological features of the EEG that may underlie developing cognitive abilities. PMID:26556377

Moldauer's sum rule as a test of the consistency of transmission coefficients in Hauser Feshbach theory

NASA Astrophysics Data System (ADS)

Brown, David; Nobre, Gustavo; Herman, Michal

2017-09-01

For neutron induced reactions below 20 MeV incident energy, the Unresolved Resonance Region (URR) connects the fast neutron region with the Resolved Resonance Region (RRR). The URR is problematic since resonances are not resolvable experimentally yet the fluctuations in the neutron cross sections play a discernible and technologically important role - the URR in a typical nucleus is in the 100 keV - 2 MeV window where the typical fission spectrum peaks. The URR also represents the transition between R-matrix theory used to describe isolated resonances and Hauser-Feshbach theory which accurately describes the average cross sections. In practice, only average or systematic features of the resonances in the URR are known and are tabulated in evaluations in a nuclear data library such as ENDF/B-VII.1. Here we apply Moldauer's ``sum rule for resonance reactions'' to compute the effective transmission coefficients for reactions in the RRR and URR regions. We compare these to the transmission coefficients used in the fast region in the EMPIRE Hauser-Feshbach code, demonstrating the consistency (or lack thereof) between these different physical regimes. This work suggests a better approach to evaluating the URR average parameters using the results from the fast region modeling. This material is based upon work supported by the US Department of Energy, Office of Science, Office of Nuclear Physics, under Contract No. DE-SC0012704 (BNL).

Accessing world knowledge: evidence from N400 and reaction time priming.

PubMed

Chwilla, Dorothee J; Kolk, Herman H J

2005-12-01

How fast are we in accessing world knowledge? In two experiments, we tested for priming for word triplets that described a conceptual script (e.g., DIRECTOR-BRIBE-DISMISSAL) but were not associatively related and did not share a category relationship. Event-related brain potentials were used to track the time course at which script information becomes available. In Experiment 1, in which participants made lexical decisions, we found a facilitation for script-related relative to unrelated triplets, as indicated by (i) a decrease in both reaction time and errors, and (ii) an N400-like priming effect. In Experiment 2, we further explored the locus of script priming by increasing the contribution of meaning integration processes. The participants' task was to indicate whether the three words presented a plausible scenario. Again, an N400 script priming effect was obtained. Directing attention to script relations was effective in enhancing the N400 effect. The time course of the N400 effect was similar to that of the standard N400 effect to semantic relations. The present results show that script priming can be obtained in the visual modality, and that script information is immediately accessed and integrated with context. This supports the view that script information forms a central aspect of word meaning. The RT and N400 script priming effects reported in this article are problematic for most current semantic priming models, like spreading activation models, expectancy models, and task-specific semantic matching/integration models. They support a view in which there is no clear cutoff point between semantic knowledge and world knowledge.

Low NO Concentration Dependence of Reductive Nitrosylation Reaction of Hemoglobin*

PubMed Central

Tejero, Jesús; Basu, Swati; Helms, Christine; Hogg, Neil; King, S. Bruce; Kim-Shapiro, Daniel B.; Gladwin, Mark T.

2012-01-01

The reductive nitrosylation of ferric (met)hemoglobin is of considerable interest and remains incompletely explained. We have previously observed that at low NO concentrations the reaction with tetrameric hemoglobin occurs with an observed rate constant that is at least 5 times faster than that observed at higher concentrations. This was ascribed to a faster reaction of NO with a methemoglobin-nitrite complex. We now report detailed studies of this reaction of low NO with methemoglobin. Nitric oxide paradoxically reacts with ferric hemoglobin with faster observed rate constants at the lower NO concentration in a manner that is not affected by changes in nitrite concentration, suggesting that it is not a competition between NO and nitrite, as we previously hypothesized. By evaluation of the fast reaction in the presence of allosteric effectors and isolated β- and α-chains of hemoglobin, it appears that NO reacts with a subpopulation of β-subunit ferric hemes whose population is influenced by quaternary state, redox potential, and hemoglobin dimerization. To further characterize the role of nitrite, we developed a system that oxidizes nitrite to nitrate to eliminate nitrite contamination. Removal of nitrite does not alter reaction kinetics, but modulates reaction products, with a decrease in the formation of S-nitrosothiols. These results are consistent with the formation of NO2/N2O3 in the presence of nitrite. The observed fast reductive nitrosylation observed at low NO concentrations may function to preserve NO bioactivity via primary oxidation of NO to form nitrite or in the presence of nitrite to form N2O3 and S-nitrosothiols. PMID:22493289

Enzymatic reaction paths as determined by transition path sampling

NASA Astrophysics Data System (ADS)

Masterson, Jean Emily

Enzymes are biological catalysts capable of enhancing the rates of chemical reactions by many orders of magnitude as compared to solution chemistry. Since the catalytic power of enzymes routinely exceeds that of the best artificial catalysts available, there is much interest in understanding the complete nature of chemical barrier crossing in enzymatic reactions. Two specific questions pertaining to the source of enzymatic rate enhancements are investigated in this work. The first is the issue of how fast protein motions of an enzyme contribute to chemical barrier crossing. Our group has previously identified sub-picosecond protein motions, termed promoting vibrations (PVs), that dynamically modulate chemical transformation in several enzymes. In the case of human heart lactate dehydrogenase (hhLDH), prior studies have shown that a specific axis of residues undergoes a compressional fluctuation towards the active site, decreasing a hydride and a proton donor--acceptor distance on a sub-picosecond timescale to promote particle transfer. To more thoroughly understand the contribution of this dynamic motion to the enzymatic reaction coordinate of hhLDH, we conducted transition path sampling (TPS) using four versions of the enzymatic system: a wild type enzyme with natural isotopic abundance; a heavy enzyme where all the carbons, nitrogens, and non-exchangeable hydrogens were replaced with heavy isotopes; and two versions of the enzyme with mutations in the axis of PV residues. We generated four separate ensembles of reaction paths and analyzed each in terms of the reaction mechanism, time of barrier crossing, dynamics of the PV, and residues involved in the enzymatic reaction coordinate. We found that heavy isotopic substitution of hhLDH altered the sub-picosecond dynamics of the PV, changed the favored reaction mechanism, dramatically increased the time of barrier crossing, but did not have an effect on the specific residues involved in the PV. In the mutant systems, we observed changes in the reaction mechanism and altered contributions of the mutated residues to the enzymatic reaction coordinate, but we did not detect a substantial change in the time of barrier crossing. These results confirm the importance of maintaining the dynamics and structural scaffolding of the hhLDH PV in order to facilitate facile barrier passage. We also utilized TPS to investigate the possible role of fast protein dynamics in the enzymatic reaction coordinate of human dihydrofolate reductase (hsDHFR). We found that sub-picosecond dynamics of hsDHFR do contribute to the reaction coordinate, whereas this is not the case in the E. coli version of the enzyme. This result indicates a shift in the DHFR family to a more dynamic version of catalysis. The second inquiry we addressed in this thesis regarding enzymatic barrier passage concerns the variability of paths through reactive phase space for a given enzymatic reaction. We further investigated the hhLDH-catalyzed reaction using a high-perturbation TPS algorithm. Though we saw that alternate reaction paths were possible, the dominant reaction path we observed corresponded to that previously elucidated in prior hhLDH TPS studies. Since the additional reaction paths we observed were likely high-energy, these results indicate that only the dominant reaction path contributes significantly to the overall reaction rate. In conclusion, we show that the enzymes hhLDH and hsDHFR exhibit paths through reactive phase space where fast protein motions are involved in the enzymatic reaction coordinate and exhibit a non-negligible contribution to chemical barrier crossing.

SOME PROTECTION METHODS FOR CUTANEOUS IRRADIATION WITH FAST ELECTRONS (in Italian)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Trucchi, O.

1962-09-01

The influence exerted by some substances, particularly by fatty substances and cortisone derivatives, on the skin reaction to fast electrons is examined. The means employed were applied on the skin immediately before the irradiation; their effectiveness varies in relation with the dose fractionation; this decreases in general the capacity of the various substances tested of modifying the skin reaction. The changes induced by these means are both quantitative and relative to the course (anticipation of the appearance of the erythema); they may occur uniformly in all phases of the reaction or only in one (a change of the first phasemore » of the erythema is usually observed). The quality of the excipient, the action of which is often responsible for the aggravation of the skin reaction, is to be taken into account in the evaluation of the typical effect of the medications. Within the limits of the doses employed (1000 rad in only a sitting, 5000 rad in case of fractionation) the influence of fatty substances on the skin reactions due to irradiation with quick electrons proved not to be marked but only scarcely appreciable. The mineral fats may increase the reaction due to quick electrons in some cases: they do not have, however, either a protective or therapeutic effect during the acute phase of the reaction. The cortisone derivatives are uneffective when they are directly and exclusively applied on the irradiated skin, while they are successfully used by general route, especially in the reactions of the mucous membranes produced by quick electrons; in any way, the topical use of cortisone derivatives with excipients deprived from mineral fats proved to be preferable. Among the physical means employed, the compression gave the best results, in the cases where it could be applied. (auth)« less

ZnO/La 2O 2CO 3 layered composite: A new heterogeneous catalyst for the efficient ultra-fast microwave biofuel production

DOE PAGES

Jin, Lei; Zhang, Yashan; Dombrowski, James; ...

2011-01-21

The search for solid state materials with high catalytic activities and with no leaching into the reaction medium is one of the key steps toward reducing the cost of producing biodiesel. We report a high biodiesel yield (>95%) in less than 5 min under mild reaction conditions (<100°C) on a ZnO/La₂O₂CO₃ heterogeneous catalyst, showing no catalyst leaching into the reaction medium. The ZnO/La₂O₂CO₃ catalyst is prepared by a co-precipitation method and characterized by X-ray diffraction (XRD), thermogravimetric analyses (TGA), transmission electron microscopy (SEM), and transmission electron microscopy (TEM). The fatty acid methyl ester (FAME) yields as function of different amountsmore » of catalyst was also investigated. Less than 1.0 wt.% catalyst can be used in the reaction to get higher than a 95% FAME yield under mild reaction conditions. The catalytic performance is maintained after storing the catalyst in Ar for a month and no catalyst leaching into the products was found based on XRF analysis. The catalyst has a higher reaction rate than the homogeneous KOH catalyst with the assistance of microwave irradiation. All of these results promote the industrial application of the synthesized ZnO/La₂O₂CO₃ as an ideal catalyst for fast biodiesel production, avoiding many of the issues found in both commercial and independently published catalysts.« less

Synthesis of structured lipids by lipase-catalyzed interesterification of triacetin with camellia oil methyl esters and preliminary evaluation of their plasma lipid-lowering effect in mice.

PubMed

Cao, Yu; Qi, Suijian; Zhang, Yang; Wang, Xiaoning; Yang, Bo; Wang, Yonghua

2013-03-25

Structured lipids (SLCTs triacylglycerols with short- and long-chain acyl residues) were synthesized by interesterification of triacetin and fatty acid methyl esters (FAMEs) from camellia oil, followed by molecular distillation for purification. Different commercial immobilized lipases (Lipozyme RM IM and Novozyme 435), the substrate molar ratios of FAMEs to triacetin, the reaction temperatures and the lipase amounts were studied for their efficiency in producing SLCTs. Results showed that Novozyme 435 was more suitable for this reaction system. Moreover, the optimal reaction conditions for the highest conversion of FAMEs and the highest LLS-TAGs (triacylglycerols with one short- and two long-chain acyl residues) yields were achieved at a molar ratio of FAMEs to triacetin of 3:1, 50 °C of reaction temperature and a lipase amount of 4% (w/v). Scale-up was conducted based on the optimized reaction conditions. Results showed that after 24 h of reaction , the conversion rate of FAMEs was 82.4% and the rate of disubstituted triacetin was 52.4 mol%. The final product yield rate was 94.6%. The effects of the synthesized SLCTs on the plasma lipid level of fasting mice were also studied. The SLCTs could effectively lessen the total triacylglycerol levels in plasma compared to the triacylglycerol group in fasting NIH mice. It suggested that this type of structured lipid might be beneficial for human health, especially for the prevention of obesity.

Fast and Precise Emulation of Stochastic Biochemical Reaction Networks With Amplified Thermal Noise in Silicon Chips.

PubMed

Kim, Jaewook; Woo, Sung Sik; Sarpeshkar, Rahul

2018-04-01

The analysis and simulation of complex interacting biochemical reaction pathways in cells is important in all of systems biology and medicine. Yet, the dynamics of even a modest number of noisy or stochastic coupled biochemical reactions is extremely time consuming to simulate. In large part, this is because of the expensive cost of random number and Poisson process generation and the presence of stiff, coupled, nonlinear differential equations. Here, we demonstrate that we can amplify inherent thermal noise in chips to emulate randomness physically, thus alleviating these costs significantly. Concurrently, molecular flux in thermodynamic biochemical reactions maps to thermodynamic electronic current in a transistor such that stiff nonlinear biochemical differential equations are emulated exactly in compact, digitally programmable, highly parallel analog "cytomorphic" transistor circuits. For even small-scale systems involving just 80 stochastic reactions, our 0.35-μm BiCMOS chips yield a 311× speedup in the simulation time of Gillespie's stochastic algorithm over COPASI, a fast biochemical-reaction software simulator that is widely used in computational biology; they yield a 15 500× speedup over equivalent MATLAB stochastic simulations. The chip emulation results are consistent with these software simulations over a large range of signal-to-noise ratios. Most importantly, our physical emulation of Poisson chemical dynamics does not involve any inherently sequential processes and updates such that, unlike prior exact simulation approaches, they are parallelizable, asynchronous, and enable even more speedup for larger-size networks.

Evaluation of the tissue reaction to fast endodontic cement (CER) and Angelus MTA.

PubMed

Gomes-Filho, João Eduardo; Rodrigues, Guilherme; Watanabe, Simone; Estrada Bernabé, Pedro Felício; Lodi, Carolina Simonett; Gomes, Alessandra Cristina; Faria, Max Doulgas; Domingos Dos Santos, Alailson; Silos Moraes, João Carlos

2009-10-01

A new cement (CER; Cimento Endodôntico Rápido or fast endodontic cement) has been developed to improve handling properties. It is a formulation that has Portland cement in gel. However, there had not yet been any study evaluating its biologic properties. The purpose of this study was to evaluate the rat subcutaneous tissue response to CER and Angelus MTA. The materials were placed in polyethylene tubes and implanted into dorsal connective tissue of Wistar rats for 7, 30, and 60 days. The specimens were prepared to be stained with hematoxylin-eosin or von Kossa or not stained for polarized light. The presence of inflammation, predominant cell type, calcification, and thickness of fibrous connective tissue were recorded. Scores were defined as follows: 0, none or few inflammatory cells, no reaction; 1, <25 cells, mild reaction; 2, 25-125 cells, moderate reaction; 3, >125 cells, severe reaction. Fibrous capsule was categorized as thin when thickness was <150 mum and thick at >150 mum. Necrosis and formation of calcification were both recorded. Both materials Angelus MTA and CER caused moderate reactions at 7 days, which decreased with time. The response was similar to the control at 30 and 60 days with Angelus MTA and CER, characterized by organized connective tissue and presence of some chronic inflammatory cells. Mineralization and granulations birefringent to polarized light were observed with both materials. It was possible to conclude that CER was biocompatible and stimulated mineralization.

Overview of Experiments for Physics of Fast Reactors from the International Handbooks of Evaluated Criticality Safety Benchmark Experiments and Evaluated Reactor Physics Benchmark Experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bess, J. D.; Briggs, J. B.; Gulliford, J.

Overview of Experiments to Study the Physics of Fast Reactors Represented in the International Directories of Critical and Reactor Experiments John D. Bess Idaho National Laboratory Jim Gulliford, Tatiana Ivanova Nuclear Energy Agency of the Organisation for Economic Cooperation and Development E.V.Rozhikhin, M.Yu.Sem?nov, A.M.Tsibulya Institute of Physics and Power Engineering The study the physics of fast reactors traditionally used the experiments presented in the manual labor of the Working Group on Evaluation of sections CSEWG (ENDF-202) issued by the Brookhaven National Laboratory in 1974. This handbook presents simplified homogeneous model experiments with relevant experimental data, as amended. The Nuclear Energymore » Agency of the Organization for Economic Cooperation and Development coordinates the activities of two international projects on the collection, evaluation and documentation of experimental data - the International Project on the assessment of critical experiments (1994) and the International Project on the assessment of reactor experiments (since 2005). The result of the activities of these projects are replenished every year, an international directory of critical (ICSBEP Handbook) and reactor (IRPhEP Handbook) experiments. The handbooks present detailed models of experiments with minimal amendments. Such models are of particular interest in terms of the settlements modern programs. The directories contain a large number of experiments which are suitable for the study of physics of fast reactors. Many of these experiments were performed at specialized critical stands, such as BFS (Russia), ZPR and ZPPR (USA), the ZEBRA (UK) and the experimental reactor JOYO (Japan), FFTF (USA). Other experiments, such as compact metal assembly, is also of interest in terms of the physics of fast reactors, they have been carried out on the universal critical stands in Russian institutes (VNIITF and VNIIEF) and the US (LANL, LLNL, and others.). Also worth mentioning is the critical experiments with fast reactor fuel rods in water, interesting in terms of justification of nuclear safety during transportation and storage of fresh and spent fuel. These reports provide a detailed review of the experiment, designate the area of their application and include results of calculations on modern systems of constants in comparison with the estimated experimental data.« less

Reduced gamma frequency in the medial frontal cortex of aged rats during behavior and rest: implications for age-related behavioral slowing

PubMed Central

Insel, Nathan; Patron, Lilian A.; Hoang, Lan T.; Nematollahi, Saman; Schimanski, Lesley A.; Lipa, Peter; Barnes, Carol A.

2012-01-01

Age-related cognitive and behavioral slowing may be caused by changes in the speed of neural signaling or by changes in the number of signaling steps necessary to achieve a given function. In the mammalian cortex, neural communication is organized by a 30–100 Hz “gamma” oscillation. There is a putative link between the gamma frequency and the speed of processing in a neural network: the dynamics of pyramidal neuron membrane time constants suggest that synaptic integration is framed by the gamma cycle, and pharmacological slowing of gamma also slows reaction times on behavioral tasks. The present experiments identify reductions in a robust 40–70 Hz gamma oscillation in the aged rat medial frontal cortex. The reductions were observed in the form of local field potentials (LFPs), later peaks in fast-spiking neuron autocorrelations, and delays in the spiking of inhibitory neurons following local excitatory signals. Gamma frequency did not vary with movement speed, but rats with slower gamma also moved more slowly. Gamma frequency age differences were not observed in hippocampus. Hippocampal CA1 fast-spiking neurons exhibited inter-spike intervals consistent with a fast (70–100 Hz) gamma frequency, a pattern maintained across theta phases and theta frequencies independent of fluctuations in the neurons’ average firing rates. We propose that an average lengthening of the cortical 15–25 ms gamma cycle is one factor contributing to age-related slowing, and that future attempts to offset cognitive declines will find a target in the response of fast-spiking inhibitory neurons to excitatory inputs. PMID:23152616

Fat Content Modulates Rapid Detection of Food: A Visual Search Study Using Fast Food and Japanese Diet

PubMed Central

Sawada, Reiko; Sato, Wataru; Toichi, Motomi; Fushiki, Tohru

2017-01-01

Rapid detection of food is crucial for the survival of organisms. However, previous visual search studies have reported discrepant results regarding the detection speeds for food vs. non-food items; some experiments showed faster detection of food than non-food, whereas others reported null findings concerning any speed advantage for the detection of food vs. non-food. Moreover, although some previous studies showed that fat content can affect visual attention for food, the effect of fat content on the detection of food remains unclear. To investigate these issues, we measured reaction times (RTs) during a visual search task in which participants with normal weight detected high-fat food (i.e., fast food), low-fat food (i.e., Japanese diet), and non-food (i.e., kitchen utensils) targets within crowds of non-food distractors (i.e., cars). Results showed that RTs for food targets were shorter than those for non-food targets. Moreover, the RTs for high-fat food were shorter than those for low-fat food. These results suggest that food is more rapidly detected than non-food within the environment and that a higher fat content in food facilitates rapid detection. PMID:28690568

Fat Content Modulates Rapid Detection of Food: A Visual Search Study Using Fast Food and Japanese Diet.

PubMed

Sawada, Reiko; Sato, Wataru; Toichi, Motomi; Fushiki, Tohru

2017-01-01

Rapid detection of food is crucial for the survival of organisms. However, previous visual search studies have reported discrepant results regarding the detection speeds for food vs. non-food items; some experiments showed faster detection of food than non-food, whereas others reported null findings concerning any speed advantage for the detection of food vs. non-food. Moreover, although some previous studies showed that fat content can affect visual attention for food, the effect of fat content on the detection of food remains unclear. To investigate these issues, we measured reaction times (RTs) during a visual search task in which participants with normal weight detected high-fat food (i.e., fast food), low-fat food (i.e., Japanese diet), and non-food (i.e., kitchen utensils) targets within crowds of non-food distractors (i.e., cars). Results showed that RTs for food targets were shorter than those for non-food targets. Moreover, the RTs for high-fat food were shorter than those for low-fat food. These results suggest that food is more rapidly detected than non-food within the environment and that a higher fat content in food facilitates rapid detection.

An equilibrium-point model for fast, single-joint movement: II. Similarity of single-joint isometric and isotonic descending commands.

PubMed

Latash, M L; Gottlieb, G L

1991-09-01

The model for isotonic movements introduced in the preceding article in this issue is used to account for isometric contractions. Isotonic movements and isometric contractions are analyzed as consequences of one motor program acting under different peripheral conditions. Differences in isotonic and isometric EMG patterns are analyzed theoretically. Computer simulation of the EMG patterns was performed both with and without the inclusion of possible effects of reciprocal inhibition. A series of experiments was performed to test the model. The subjects made fast isotonic movements that were unexpectedly blocked at the very beginning in some of the trials. The observed differences in the EMG patterns between blocked and unblocked trials corresponded to the model's predictions. The results suggest that these differences are due to the action of a tonic stretch reflex rather than to preprogrammed reactions. The experimental and simulation findings, and also the data from the literature, are discussed in the framework of the model and the dual-strategy hypothesis. They support the hypothesis that the motor control system uses one of a few standardized subprograms, specifying a small number of parameters to match a specific task.

Defining the Subcellular Interface of Nanoparticles by Live-Cell Imaging

PubMed Central

Hemmerich, Peter H.; von Mikecz, Anna H.

2013-01-01

Understanding of nanoparticle-bio-interactions within living cells requires knowledge about the dynamic behavior of nanomaterials during their cellular uptake, intracellular traffic and mutual reactions with cell organelles. Here, we introduce a protocol of combined kinetic imaging techniques that enables investigation of exemplary fluorochrome-labelled nanoparticles concerning their intracellular fate. By time-lapse confocal microscopy we observe fast, dynamin-dependent uptake of polystyrene and silica nanoparticles via the cell membrane within seconds. Fluorescence recovery after photobleaching (FRAP) experiments reveal fast and complete exchange of the investigated nanoparticles at mitochondria, cytoplasmic vesicles or the nuclear envelope. Nuclear translocation is observed within minutes by free diffusion and active transport. Fluorescence correlation spectroscopy (FCS) and raster image correlation spectroscopy (RICS) indicate diffusion coefficients of polystyrene and silica nanoparticles in the nucleus and the cytoplasm that are consistent with particle motion in living cells based on diffusion. Determination of the apparent hydrodynamic radii by FCS and RICS shows that nanoparticles exert their cytoplasmic and nuclear effects mainly as mobile, monodisperse entities. Thus, a complete toolkit of fluorescence fluctuation microscopy is presented for the investigation of nanomaterial biophysics in subcellular microenvironments that contributes to develop a framework of intracellular nanoparticle delivery routes. PMID:23637951

Porosity developed during mineral replacement reactions: implications for fluid flux in the Earth

NASA Astrophysics Data System (ADS)

Putnis, Christine V.; Trindade Pedrosa, Elisabete; Hövelmann, Jörn; Renard, François; Ruiz-Agudo, Encarnacion

2017-04-01

Aqueous fluids, that are ubiquitous in the crust of the Earth, will move through possible pathways in rocks. Rocks characteristically have low permeability but fractures can provide fast fluid channels. Mineral grain boundaries also present easy fluid pathways. However, porosity within minerals forms when a mineral is out of equilibrium with an aqueous fluid and reactions take place in an attempt to reach a new equilibrium. Commonly, dissolution at a mineral-fluid interface initiates one or several coupled reactions involving dissolution and precipitation (Putnis C.V. and Ruiz-Agudo E., 2013; Ruiz-Agudo et al., 2014). In pseudomorphic volume-deficit reactions, a new phase forms while porosity is created, and thereby reactive fluid flow through the originally solid mineral is enhanced. These coupled dissolution-replacement reactions therefore will constrain the flux of material carried by the fluid. These reactions are common during such processes as metamorphism, metasomatism, and weathering. When rock-forming minerals such as feldspars, olivine, pyroxenes and carbonates are in contact with aqueous fluids (typically NaCl-rich) porosity is formed during the interfacial replacement reactions. Elements present in the parent mineral are released to the fluid and therefore mobilized for transport elsewhere. Porosity formation has been shown in a number of systems, such as during the albitisation of feldspars (Hövelmann et al., 2009) and the replacement of carbonates by apatite phases (Pedrosa et al., 2016). Some of these examples will be presented as well as examples from atomic force microscopy (AFM) experiments used to image these reactions at a nanoscale, especially at the calcite-fluid interface, when new phases can be directly observed forming. This mechanism has also been shown as a means of carbon and phosphorus sequestration and for the removal of toxic elements from superficial waters, such as Se and As. References Ruiz-Agudo E., Putnis C.V., Putnis A. (2014) Coupled dissolution and precipitation at mineral-fluid interfaces. Chem. Geol., 383, 132-146. Putnis C.V. and Ruiz-Agudo E. (2013) The mineral-water interface: where minerals react with the environment. Elements, 9, 177-182. Hövelmann J., Putnis A., Geisler T., Schmidt B.C., Golla-Schindler U. (2009) The replacement of plagioclase feldspars by albite: observations from hydrothermal experiments. Contrib. Min. and Pet. 159, 43-59. Pedrosa E.T., Putnis C.V., Putnis A. (2016) The pseudomorphic replacement of marble by apatite: the role of fluid composition. Chem. Geol., 425, 1-11.

Three model space experiments on chemical reactions. [Gibbs adsorption, equilibrium shift and electrodeposition

NASA Technical Reports Server (NTRS)

Grodzka, P.; Facemire, B.

1977-01-01

Three investigations conducted aboard Skylab IV and Apollo-Soyuz involved phenomena that are of interest to the biochemistry community. The formaldehyde clock reaction and the equilibrium shift reaction experiments conducted aboard Apollo Soyuz demonstrate the effect of low-g foams or air/liquid dispersions on reaction rate and chemical equilibrium. The electrodeposition reaction experiment conducted aboard Skylab IV demonstrate the effect of a low-g environment on an electrochemical displacement reaction. The implications of the three space experiments for various applications are considered.

A large eddy simulation scheme for turbulent reacting flows

NASA Technical Reports Server (NTRS)

Gao, Feng

1993-01-01

The recent development of the dynamic subgrid-scale (SGS) model has provided a consistent method for generating localized turbulent mixing models and has opened up great possibilities for applying the large eddy simulation (LES) technique to real world problems. Given the fact that the direct numerical simulation (DNS) can not solve for engineering flow problems in the foreseeable future (Reynolds 1989), the LES is certainly an attractive alternative. It seems only natural to bring this new development in SGS modeling to bear on the reacting flows. The major stumbling block for introducing LES to reacting flow problems has been the proper modeling of the reaction source terms. Various models have been proposed, but none of them has a wide range of applicability. For example, some of the models in combustion have been based on the flamelet assumption which is only valid for relatively fast reactions. Some other models have neglected the effects of chemical reactions on the turbulent mixing time scale, which is certainly not valid for fast and non-isothermal reactions. The probability density function (PDF) method can be usefully employed to deal with the modeling of the reaction source terms. In order to fit into the framework of LES, a new PDF, the large eddy PDF (LEPDF), is introduced. This PDF provides an accurate representation for the filtered chemical source terms and can be readily calculated in the simulations. The details of this scheme are described.

Method and apparatus for obtaining enhanced production rate of thermal chemical reactions

DOEpatents

Tonkovich, Anna Lee Y.; Wang, Yong; Wegeng, Robert S.; Gao, Yufei

2003-09-09

Reactors and processes are disclosed that can utilize high heat fluxes to obtain fast, steady-state reaction rates. Porous catalysts used in conjunction with microchannel reactors to obtain high rates of heat transfer are also disclosed. Reactors and processes that utilize short contact times, high heat flux and low pressure drop are described. Improved methods of steam reforming are also provided.

Sulfonato-imino copper(ii) complexes: fast and general Chan-Evans-Lam coupling of amines and anilines.

PubMed

Hardouin Duparc, V; Schaper, F

2017-10-14

Sulfonato-imine copper complexes with either chloride or triflate counteranions were prepared in a one-step reaction followed by anion-exchange. They are highly active in Chan-Evans-Lam couplings under mild conditions with a variety of amines or anilines, in particular with sterically hindered substrates. No optimization of reaction conditions other than time and/or temperature is required.

Method and apparatus for obtaining enhanced production rate of thermal chemical reactions

DOEpatents

Tonkovich, Anna Lee Y [Pasco, WA; Wang, Yong [Richland, WA; Wegeng, Robert S [Richland, WA; Gao, Yufei [Kennewick, WA

2006-05-16

Reactors and processes are disclosed that can utilize high heat fluxes to obtain fast, steady-state reaction rates. Porous catalysts used in conjunction with microchannel reactors to obtain high rates of heat transfer are also disclosed. Reactors and processes that utilize short contact times, high heat flux and low pressure drop are described. Improved methods of steam reforming are also provided.

Increased Intra-Individual Reaction Time Variability in Attention-Deficit/Hyperactivity Disorder across Response Inhibition Tasks with Different Cognitive Demands

ERIC Educational Resources Information Center

Vaurio, Rebecca G.; Simmonds, Daniel J.; Mostofsky, Stewart H.

2009-01-01

One of the most consistent findings in children with ADHD is increased moment-to-moment variability in reaction time (RT). The source of increased RT variability can be examined using ex-Gaussian analyses that divide variability into normal and exponential components and Fast Fourier transform (FFT) that allow for detailed examination of the…

Serious Allergic Reactions (Anaphylaxis)

MedlinePlus

... more of these body systems: skin digestive system respiratory system cardiovascular system For example, someone may feel tightness or closing in the throat (respiratory system) together with a fast heartbeat (cardiovascular system). Here ...

Monte-Carlo simulations of neutron-induced activation in a Fast-Neutron and Gamma-Based Cargo Inspection System

NASA Astrophysics Data System (ADS)

Bromberger, B.; Bar, D.; Brandis, M.; Dangendorf, V.; Goldberg, M. B.; Kaufmann, F.; Mor, I.; Nolte, R.; Schmiedel, M.; Tittelmeier, K.; Vartsky, D.; Wershofen, H.

2012-03-01

An air cargo inspection system combining two nuclear reaction based techniques, namely Fast-Neutron Resonance Radiography and Dual-Discrete-Energy Gamma Radiography is currently being developed. This system is expected to allow detection of standard and improvised explosives as well as special nuclear materials. An important aspect for the applicability of nuclear techniques in an airport inspection facility is the inventory and lifetimes of radioactive isotopes produced by the neutron radiation inside the cargo, as well as the dose delivered by these isotopes to people in contact with the cargo during and following the interrogation procedure. Using MCNPX and CINDER90 we have calculated the activation levels for several typical inspection scenarios. One example is the activation of various metal samples embedded in a cotton-filled container. To validate the simulation results, a benchmark experiment was performed, in which metal samples were activated by fast-neutrons in a water-filled glass jar. The induced activity was determined by analyzing the gamma spectra. Based on the calculated radioactive inventory in the container, the dose levels due to the induced gamma radiation were calculated at several distances from the container and in relevant time windows after the irradiation, in order to evaluate the radiation exposure of the cargo handling staff, air crew and passengers during flight. The possibility of remanent long-lived radioactive inventory after cargo is delivered to the client is also of concern and was evaluated.

Influence of surface heterogeneity in electroosmotic flows—Implications in chromatography, fluid mixing, and chemical reactions in microdevices

NASA Astrophysics Data System (ADS)

Adrover, Alessandra; Giona, Massimiliano; Pagnanelli, Francesca; Toro, Luigi

2007-04-01

We analyze the influence of surface heterogeneity, inducing a random ζ-potential at the walls in electroosmotic incompressible flows. Specifically, we focus on how surface heterogeneity modifies the physico-chemical processes (transport, chemical reaction, mixing) occurring in microchannel and microreactors. While the macroscopic short-time features associated with solute transport (e.g. chromatographic patterns) do not depend significantly on ζ-potential heterogeneity, spatial randomness in the surface ζ-potential modifies the spectral properties of the advection-diffusion operator, determining different long-term properties of transport/reaction phenomena compared to the homogeneous case. Examples of physical relevance (chromatography, infinitely fast reactions) are addressed.

Allylic Amination and N-Arylation-Based Domino Reactions Providing Rapid Three-Component Strategies to Fused Pyrroles with Different Substituted Patterns

PubMed Central

Jiang, Bo; Li, Ying; Tu, Man-Su; Wang, Shu-Liang; Tu, Shu-Jiang; Li, Guigen

2012-01-01

New three-component domino reaction providing divergent approaches to multi-functionalized fused pyrroles with different substituted patterns have been established (40 examples). The direct C(sp3)–N bond formation was achieved through intermolecular allylic amination in a one-pot operation; and N-arylation of amines was realized by varying N-amino acid enaminones. The reaction is easy to perform simply by mixing three common reactants in acetic acid under microwave heating. The reaction proceeds at fast rates and can be finished within 30 min, which makes workup convenient to give good chemical yields. PMID:22852549

Type 2 diabetes patient's perspective on Ramadan fasting: a qualitative study.

PubMed

Lee, Jun Yang; Wong, Chee Piau; Tan, Christina San San; Nasir, Nazrila Hairizan; Lee, Shaun Wen Huey

2017-01-01

We evaluated the beliefs, experience and diabetes management strategies of type 2 diabetes mellitus (T2DM) Muslim patients that chose to fast during Ramadan. A semistructured focus group interview was conducted with 53 participants with T2DM. Participants were purposefully sampled and asked to share their perspective on Ramadan fasting. All interviews were audio recorded, transcribed verbatim and analyzed thematically. Participants reported optimism towards fasting during Ramadan, as they believed that fasting was beneficial to their overall well-being, and a time for family bonding. Most participants made limited attempts to discuss with their doctors on the decision to fast and self-adjusted their medication based on experience and symptoms during this period. They also reported difficulty in managing their diet, due to fear of hypoglycemia and the collective social aspect of fasting. Muslims are optimistic about their well-being when fasting during Ramadan. Many choose to fulfill their religious obligation despite being discouraged by their doctors. Collaboration with religious authorities should be explored to ensure patients receive adequate education before fasting during Ramadan. NCT02189135; Results.

On beyond the standard model for high explosives: challenges & obstacles to surmount

DOE Office of Scientific and Technical Information (OSTI.GOV)

Menikoff, Ralph Ds

2009-01-01

Plastic-bonded explosives (PBX) are heterogeneous materials. Nevertheless, current explosive models treat them as homogeneous materials. To compensate, an empirically determined effective burn rate is used in place of a chemical reaction rate. A significant limitation of these models is that different burn parameters are needed for applications in different regimes; for example, shock initiation of a PBX at different initial temperatures or different initial densities. This is due to temperature fluctuations generated when a heterogeneous material is shock compressed. Localized regions of high temperatures are called hot spots. They dominate the reaction for shock initiation. The understanding of hot spotmore » generation and their subsequent evolution has been limited by the inability to measure transients on small spatial ({approx} 1 {micro}m) and small temporal ({approx} 1 ns) scales in the harsh environment of a detonation. With the advances in computing power, it is natural to try and gain an understanding of hot-spot initiation with numerical experiments based on meso-scale simulations that resolve material heterogeneities and utilize realistic chemical reaction rates. However, to capture the underlying physics correctly, such high resolution simulations will require more than fast computers with a large amount of memory. Here we discuss some of the issues that need to be addressed. These include dissipative mechanisms that generate hot spots, accurate thermal propceties for the equations of state of the reactants and products, and controlling numerical entropy error from shock impedance mismatches at material interfaces. The later can generate artificial hot spots and lead to premature reaction. Eliminating numerical hot spots is critical for shock initiation simulations due to the positive feedback between the energy release from reaction and the hydrodynamic flow.« less

Research Program of a Super Fast Reactor

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oka, Yoshiaki; Ishiwatari, Yuki; Liu, Jie

2006-07-01

Research program of a supercritical-pressure light water cooled fast reactor (Super Fast Reactor) is funded by MEXT (Ministry of Education, Culture, Sports, Science and Technology) in December 2005 as one of the research programs of Japanese NERI (Nuclear Energy Research Initiative). It consists of three programs. (1) development of Super Fast Reactor concept; (2) thermal-hydraulic experiments; (3) material developments. The purpose of the concept development is to pursue the advantage of high power density of fast reactor over thermal reactors to achieve economic competitiveness of fast reactor for its deployment without waiting for exhausting uranium resources. Design goal is notmore » breeding, but maximizing reactor power by using plutonium from spent LWR fuel. MOX will be the fuel of the Super Fast Reactor. Thermal-hydraulic experiments will be conducted with HCFC22 (Hydro chlorofluorocarbons) heat transfer loop of Kyushu University and supercritical water loop at JAEA. Heat transfer data including effect of grid spacers will be taken. The critical flow and condensation of supercritical fluid will be studied. The materials research includes the development and testing of austenitic stainless steel cladding from the experience of PNC1520 for LMFBR. Material for thermal insulation will be tested. SCWR (Supercritical-Water Cooled Reactor) of GIF (Generation-4 International Forum) includes both thermal and fast reactors. The research of the Super Fast Reactor will enhance SCWR research and the data base. The research period will be until March 2010. (authors)« less

Comparison of metabolic pathways of different α-N-heterocyclic thiosemicarbazones.

PubMed

Pelivan, Karla; Frensemeier, Lisa M; Karst, Uwe; Koellensperger, Gunda; Heffeter, Petra; Keppler, Bernhard K; Kowol, Christian R

2018-03-01

Clinical failure of novel drugs is often related to their rapid metabolism and excretion. This highlights the importance of elucidation of their pharmacokinetic profile already at the preclinical stage of drug development. Triapine, the most prominent representative of α-N-heterocyclic thiosemicarbazones, was investigated in more than 30 clinical phase I/II trials, but the results against solid tumors were disappointing. Recent investigations from our group suggested that this is, at least partially, based on the fast metabolism and excretion. In order to establish more detailed structure/activity/metabolism relationships, herein a panel of 10 different Triapine derivatives was investigated for their metabolic pathways. From the biological point of view, the panel consists of terminally dimethylated thiosemicarbazones with nanomolar IC 50 values, derivatives with micromolar cytotoxicities comparable to Triapine and a completely inactive representative. To study the oxidative metabolism, a purely instrumental approach based on electrochemistry/mass spectrometry was applied and the results were compared to the data obtained from microsomal incubations. Overall, the investigated thiosemicarbazones underwent the phase I metabolic reactions dehydrogenation, hydroxylation, oxidative desulfuration (to semicarbazone and amidrazone) and demethylation. Notably, dehydrogenation resulted in a ring-closure reaction with formation of thiadiazoles. Although strong differences between the metabolic pathways of the different thiosemicarbazones were observed, they could not be directly correlated to their cytotoxicities. Finally, the metabolic pathways for the most cytotoxic compound were elucidated also in tissues collected from drug-treated mice, confirming the data obtained by electrochemical oxidation and microsomes. In addition, the in vivo experiments revealed a very fast metabolism and excretion of the compound. Graphical abstract Structure/activity/metabolisation relationships for 10 anticancer thiosemicarbazones were established using electrochemical oxidation coupled to mass spectrometry (EC-MS) and human liver microsomes analyzed by LC-MS.

Evaluation of a multiplex real-time PCR assay for detecting pathogens in cardiac valve tissue in patients with endocarditis.

PubMed

Fernández, Angel L; Varela, Eduardo; Martínez, Lucía; Martínez, Amparo; Sierra, Juan; González-Juanatey, José R; Regueiro, Benito

2010-10-01

With a novel real-time multiplex polymerase chain reaction test, the LightCycler SeptiFast® test, 25 bacterial and fungal species can be identified directly in blood. The SeptiFast® test has been used for rapid etiologic diagnosis in infectious endocarditis using blood samples but has not been evaluated directly on cardiac vegetations in patients being treated for infectious endocarditis. We prospectively analyzed 15 samples of heart valve tissue with active infectious endocarditis using the SeptiFast® test and compared the test's sensitivity with that of blood culture, valve tissue culture, and the SeptiFast® test in blood. The sensitivity of the SeptiFast test in heart valve tissue was 100%. The test results confirmed the diagnosis obtained using blood culture in 13 cases and identified the pathogen in 2 cases where blood culture tested negative. The sensitivity of the SeptiFast® test in heart valve tissue was greater than that obtained with conventional culture of vegetations or with the SeptiFast test in blood.

Presidential Green Chemistry Challenge: 2009 Greener Reaction Conditions Award

EPA Pesticide Factsheets

Presidential Green Chemistry Challenge 2009 award winner, CEM Corporation, developed a fast, automated analytical process using less toxic reagents and less energy to distinguish protein from the food adulterant, melamine.

High Energy Density Plasmas (HEDP) for studies of basic nuclear science relevant to Stellar and Big Bang Nucleosynthesis

NASA Astrophysics Data System (ADS)

Frenje, Johan

2014-06-01

Thermonuclear reaction rates and nuclear processes have been explored traditionally by means of conventional accelerator experiments, which are difficult to execute at conditions relevant to stellar nucleosynthesis. Thus, nuclear reactions at stellar energies are often studied through extrapolations from higher-energy data or in low-background underground experiments. Even when measurements are possible using accelerators at relevant energies, thermonuclear reaction rates in stars are inherently different from those in accelerator experiments. The fusing nuclei are surrounded by bound electrons in accelerator experiments, whereas electrons occupy mainly continuum states in a stellar environment. Nuclear astrophysics research will therefore benefit from an enlarged toolkit for studies of nuclear reactions. In this presentation, we report on the first use of High Energy Density Plasmas for studies of nuclear reactions relevant to basic nuclear science, stellar and Big Bang nucleosynthesis. These experiments were carried out at the OMEGA laser facility at University of Rochester and the National Ignition Facility (NIF) at Lawrence Livermore National Laboratory, in which spherical capsules were irradiated with powerful lasers to compress and heat the fuel to high enough temperatures and densities for nuclear reactions to occur. Four experiments will be highlighted in this presentation. In the first experiment, the differential cross section for the elastic neutron-triton (n-T) scattering at 14.1 MeV was measured with significantly higher accuracy than achieved in accelerator experiments. In the second experiment, the T(t,2n)4He reaction, a mirror reaction to the 3He(3He,2p)4He reaction that plays an important role in the proton-proton chain that transforms hydrogen into ordinary 4He in stars like our Sun, was studied at energies in the range 15-40 keV. In the third experiment, the 3He+3He solar fusion reaction was studied directly, and in the fourth experiment, we probed the T+3He reaction, possibly relevant to Big Bang nucleosynthesis.

Basic Proteins of Plant Nuclei during Normal and Pathological Cell Growth

PubMed Central

Rasch, Ellen; Woodard, John W.

1959-01-01

Histone proteins were studied by microphotometry of plant tissue sections stained with fast green at pH 8.1. For comparative purposes the Feulgen reaction was used for deoxyribose nuclei acid (DNA); the Sakaguchi reaction for arginine; and the Millon reaction for estimates of total protein. Analysis of Tradescantia tissues indicated that amounts of nuclear histone fell into approximate multiples of the gametic (egg or sperm) quantity except in dividing tissues, where amounts intermediate between multiples were found. In differentiated tissues of lily, corn, onion, and broad bean, histones occurred in constant amounts per nucleus, characteristic of the species, as was found also for DNA. Unlike the condition in several animal species, the basic proteins of sperm nuclei in these higher plants were of the histone type; no evidence of protamine was found. In a plant neoplasm, crown gall of broad bean, behavior of the basic nuclear proteins closely paralleled that of DNA. Thus, alterations of DNA levels in tumor tissues were accompanied by quantitatively similar changes in histone levels to maintain the same Feulgen/fast green ratios found in homologous normal tissues. PMID:14436319

Fast Hetero-Diels-Alder Reactions Using 4-Phenyl-1,2,4-Triazoline-3,5-Dione (PTAD) as the Dienophile

ERIC Educational Resources Information Center

Celius, Tevye C.

2010-01-01

A hetero-Diels-Alder reaction that proceeds rapidly and only requires a simple filtration to purify the product is presented. The dienophile, 4-phenyl-1,2,4-triazoline-3,5-dione (PTAD), is prepared by the heterogeneous oxidation of 4-phenylurazole by the bromenium ion, Br[superscript +], generated in situ by the oxidation of potassium bromide by…

Review of Transient Testing of Fast Reactor Fuels in the Transient REActor Test Facility (TREAT)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jensen, C.; Wachs, D.; Carmack, J.

The restart of the Transient REActor Test (TREAT) facility provides a unique opportunity to engage the fast reactor fuels community to reinitiate in-pile experimental safety studies. Historically, the TREAT facility played a critical role in characterizing the behavior of both metal and oxide fast reactor fuels under off-normal conditions, irradiating hundreds of fuel pins to support fast reactor fuel development programs. The resulting test data has provided validation for a multitude of fuel performance and severe accident analysis computer codes. This paper will provide a review of the historical database of TREAT experiments including experiment design, instrumentation, test objectives, andmore » salient findings. Additionally, the paper will provide an introduction to the current and future experiment plans of the U.S. transient testing program at TREAT.« less

Listen to your heart: when false somatic feedback shapes moral behavior.

PubMed

Gu, Jun; Zhong, Chen-Bo; Page-Gould, Elizabeth

2013-05-01

A pounding heart is a common symptom people experience when confronting moral dilemmas. The authors conducted 4 experiments using a false feedback paradigm to explore whether and when listening to a fast (vs. normal) heartbeat sound shaped ethical behavior. Study 1 found that perceived fast heartbeat increased volunteering for a just cause. Study 2 extended this effect to moral transgressions and showed that perceived fast heartbeat reduced lying for self-gain. Studies 3 and 4 explored the boundary conditions of this effect and found that perceived heartbeat had less influence on deception when people are mindful or approach the decision deliberatively. These findings suggest that the perceived physiological experience of fast heartbeats may signal greater distress in moral situations and hence motivate people to take the moral high road. PsycINFO Database Record (c) 2013 APA, all rights reserved.

Lower extremity sagittal joint moment production during split-belt treadmill walking

PubMed Central

Roemmich, Ryan T.; Stegemöller, Elizabeth L.; Hass, Chris J.

2012-01-01

The split-belt treadmill (SBT) has recently been used to rehabilitate locomotor asymmetries in clinical populations. However, the joint mechanics produced while walking on a SBT are not well-understood. The purpose of this study was to investigate the lower extremity sagittal joint moments produced by each limb during SBT walking and provide insight as to how these joint moment patterns may be useful in rehabilitating unilateral gait deficits. Thirteen healthy young volunteers walked on the SBT with the belts tied and in a “SPLIT” session in which one belt moved twice as fast as the other. Sagittal lower extremity joint moment and ground reaction force impulses were then calculated over the braking and propulsive phases of the gait cycle. Paired t-tests were performed to analyze magnitude differences between conditions (i.e. the fast and slow limbs during SPLIT vs. the same limb during tied-belt walking) and between the fast and slow limbs during SPLIT. During the SPLIT session, the fast limb produced higher ground reaction force and ankle moment impulses during the propulsive and braking phases, and lower knee moment impulses during the propulsive phase when compared to the slow limb. The knee moment impulse was also significantly higher during braking in the slow limb than in the fast limb. The mechanics of each limb during the SPLIT session also differed from the mechanics observed when the belt speeds were tied. Based on these findings, we suggest that each belt may have intrinsic value in rehabilitating specific unilateral locomotor deficits. PMID:22985473

Nuclear diagnostic for fast alpha particles

DOEpatents

Grisham, L.R.; Post, D.E. Jr.; Dawson, J.M.

1983-11-23

This invention relates generally to high energy confined plasmas and more particularly is directed to measuring the velocity distribution of confined energetic alpha particles resulting from deuterium-tritium fusion reactions in a confined energetic plasma.

Fast real-time polymerase chain reaction for quantitative detection of Lactobacillus delbrueckii bacteriophages in milk.

PubMed

Martín, Maria Cruz; del Rio, Beatriz; Martínez, Noelia; Magadán, Alfonso H; Alvarez, Miguel A

2008-12-01

One of the main microbiological problems of the dairy industry is the susceptibility of starter bacteria to virus infections. Lactobacillus delbrueckii, a component of thermophilic starter cultures used in the manufacture of several fermented dairy products, including yogurt, is also sensitive to bacteriophage attacks. To avoid the problems associated with these viruses, quick and sensitive detection methods are necessary. In the present study, a fast real-time quantitative polymerase chain reaction assay for the direct detection and quantification of L. delbrueckii phages in milk was developed. A set of primers and a TaqMan MGB probe was designed, based on the lysin gene sequence of different L. delbrueckii phages. The results show the proposed method to be a rapid (total processing time 30 min), specific and highly sensitive technique for detecting L. delbrueckii phages in milk.

Tailoring ZSM-5 Zeolites for the Fast Pyrolysis of Biomass to Aromatic Hydrocarbons.

PubMed

Hoff, Thomas C; Gardner, David W; Thilakaratne, Rajeeva; Wang, Kaige; Hansen, Thomas W; Brown, Robert C; Tessonnier, Jean-Philippe

2016-06-22

The production of aromatic hydrocarbons from cellulose by zeolite-catalyzed fast pyrolysis involves a complex reaction network sensitive to the zeolite structure, crystallinity, elemental composition, porosity, and acidity. The interplay of these parameters under the reaction conditions represents a major roadblock that has hampered significant improvement in catalyst design for over a decade. Here, we studied commercial and laboratory-synthesized ZSM-5 zeolites and combined data from 10 complementary characterization techniques in an attempt to identify parameters common to high-performance catalysts. Crystallinity and framework aluminum site accessibility were found to be critical to achieve high aromatic yields. These findings enabled us to synthesize a ZSM-5 catalyst with enhanced activity, which offers the highest aromatic hydrocarbon yield reported to date. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Thermomechanical analysis of fast-burst reactors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Miller, J.D.

1994-08-01

Fast-burst reactors are designed to provide intense, short-duration pulses of neutrons. The fission reaction also produces extreme time-dependent heating of the nuclear fuel. An existing transient-dynamic finite element code was modified specifically to compute the time-dependent stresses and displacements due to thermal shock loads of reactors. Thermomechanical analysis was then applied to determine structural feasibility of various concepts for an EDNA-type reactor and to optimize the mechanical design of the new SPR III-M reactor.

FAST NEUTRONIC REACTOR

DOEpatents

Snell, A.H.

1957-12-01

This patent relates to a reactor and process for carrying out a controlled fast neutron chain reaction. A cubical reactive mass, weighing at least 920 metric tons, of uranium metal containing predominantly U/sup 238/ and having a U/sup 235/ content of at least 7.63% is assembled and the maximum neutron reproduction ratio is limited to not substantially over 1.01 by insertion and removal of a varying amount of boron, the reactive mass being substantially freed of moderator.

Energetic ion, atom, and molecule reactions and excitation in low-current H2 discharges: H(alpha) Doppler profiles.

PubMed

Petrović, Z Lj; Phelps, A V

2009-12-01

Absolute spectral emissivities for Doppler broadened H(alpha) profiles are measured and compared with predictions of energetic hydrogen ion, atom, and molecule behavior in low-current electrical discharges in H2 at very high electric field E to gas density N ratios E/N and low values of Nd , where d is the parallel-plate electrode separation. These observations reflect the energy and angular distributions for the excited atoms and quantitatively test features of multiple-scattering kinetic models in weakly ionized hydrogen in the presence of an electric field that are not tested by the spatial distributions of H(alpha) emission. Absolute spectral intensities agree well with predictions. Asymmetries in Doppler profiles observed parallel to the electric field at 4

Differences in early and late stages of information processing between slow versus fast participants.

PubMed

Portella, Claudio; Machado, Sergio; Paes, Flávia; Cagy, Mauricio; Sack, Alexander T; Sandoval-Carrillo, Ada; Salas-Pacheco, Jose; Silva, Adriana Cardoso; Piedade, Roberto; Ribeiro, Pedro; Nardi, Antonio Egídio; Arias-Carrión, Oscar

2014-01-01

The human brain is a system consisting of various interconnected neural networks, with functional specialization coexisting with functional integration occurring both; temporally and spatially at many levels. The current study ranked and compared fast and slow participants in processing information by assessing latency and amplitude of early and late Event-Related Potential (ERP) components, including P200, N200, Premotor Potential (PMP) and P300. In addition, the Reaction Time (RT) of participants was compared and related to the respective ERP components. For this purpose, twenty right-handed and healthy individuals were subjected to a classical ERP "Oddball" paradigm. Principal Component Analysis (PCA) and Discriminant Function analyses (DFA) used PRE components and the Reaction Time (RT) to classify individuals. Our results indicate that latencies of P200 (O2 electrode), N200 (O2), PMP (C3) and P300 (Pz) components are significantly reduced in the group of fast responding participants. In addition, the P200 amplitude is significantly increased in the group of fast responding participants. Based on these findings, we suggest that the ERP is able to detect even minimal impairments, in the processing of somatosensory information and cognitive and motor stages. Hence, the study of ERP might also be capable of assessing sensorimotor dysfunctions in healthy old-aged people and in neuropsychiatric patients (suffering from dementia, Parkinson's disease, and other neurological disorders).

Fast Profiling of Natural Pigments in Different Spirulina (Arthrospira platensis) Dietary Supplements by DI-FT-ICR and Evaluation of their Antioxidant Potential by Pre-Column DPPH-UHPLC Assay.

PubMed

Sommella, Eduardo; Conte, Giulio Maria; Salviati, Emanuela; Pepe, Giacomo; Bertamino, Alessia; Ostacolo, Carmine; Sansone, Francesca; Prete, Francesco Del; Aquino, Rita Patrizia; Campiglia, Pietro

2018-05-11

Arthrospira platensis , better known as Spirulina, is one of the most important microalgae species. This cyanobacterium possesses a rich metabolite pattern, including high amounts of natural pigments. In this study, we applied a combined strategy based on Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR-MS) and Ultra High-Performance Liquid Chromatography (UHPLC) for the qualitative/quantitative characterization of Spirulina pigments in three different commercial dietary supplements. FT-ICR was employed to elucidate the qualitative profile of Spirulina pigments, in both direct infusion mode (DIMS) and coupled to UHPLC. DIMS showed to be a very fast (4 min) and accurate (mass accuracy ≤ 0.01 ppm) tool. 51 pigments were tentatively identified. The profile revealed different classes, such as carotenes, xanthophylls and chlorophylls. Moreover, the antioxidant evaluation of the major compounds was assessed by pre-column reaction with the DPPH radical followed by fast UHPLC-PDA separation, highlighting the contribution of single analytes to the antioxidant potential of the entire pigment fraction. β-carotene, diadinoxanthin and diatoxanthin showed the highest scavenging activity. The method took 40 min per sample, comprising reaction. This strategy could represent a valid tool for the fast and comprehensive characterization of Spirulina pigments in dietary supplements, as well as in other microalgae-based products.

Reaction kinetics of cellulose hydrolysis in subcritical and supercritical water

NASA Astrophysics Data System (ADS)

Olanrewaju, Kazeem Bode

The uncertainties in the continuous supply of fossil fuels from the crisis-ridden oil-rich region of the world is fast shifting focus on the need to utilize cellulosic biomass and develop more efficient technologies for its conversion to fuels and chemicals. One such technology is the rapid degradation of cellulose in supercritical water without the need for an enzyme or inorganic catalyst such as acid. This project focused on the study of reaction kinetics of cellulose hydrolysis in subcritical and supercritical water. Cellulose reactions at hydrothermal conditions can proceed via the homogeneous route involving dissolution and hydrolysis or the heterogeneous path of surface hydrolysis. The work is divided into three main parts. First, the detailed kinetic analysis of cellulose reactions in micro- and tubular reactors was conducted. Reaction kinetics models were applied, and kinetics parameters at both subcritical and supercritical conditions were evaluated. The second major task was the evaluation of yields of water soluble hydrolysates obtained from the hydrolysis of cellulose and starch in hydrothermal reactors. Lastly, changes in molecular weight distribution due to hydrothermolytic degradation of cellulose were investigated. These changes were also simulated based on different modes of scission, and the pattern generated from simulation was compared with the distribution pattern from experiments. For a better understanding of the reaction kinetics of cellulose in subcritical and supercritical water, a series of reactions was conducted in the microreactor. Hydrolysis of cellulose was performed at subcritical temperatures ranging from 270 to 340 °C (tau = 0.40--0.88 s). For the dissolution of cellulose, the reaction was conducted at supercritical temperatures ranging from 375 to 395 °C (tau = 0.27--0.44 s). The operating pressure for the reactions at both subcritical and supercritical conditions was 5000 psig. The results show that the rate-limiting step in converting cellulose to fermentable sugars in subcritical and supercritical water differs because of the difference in their activation energies. Cellulose and starch were both hydrolyzed in micro- and tubular reactors and at subcritical and supercritical conditions. Due to the difficulty involved in generating an aqueous based dissolved cellulose and having it reacted in subcritical water, dissolved starch was used instead. Better yield of water soluble hydrolysates, especially fermentable sugars, were observed from the hydrolysis of cellulose and dissolved starch in subcritical water than at supercritical conditions. The concluding phase of this project focuses on establishing the mode of scission of cellulose chains in the hydrothermal reactor. This was achieved by using the simulated degradation pattern generated based on different scission modes to fingerprint the degradation pattern obtained from experiment.

The binding of quinone to the photosynthetic reaction centers: kinetics and thermodynamics of reactions occurring at the QB-site in zwitterionic and anionic liposomes.

PubMed

Mavelli, Fabio; Trotta, Massimo; Ciriaco, Fulvio; Agostiano, Angela; Giotta, Livia; Italiano, Francesca; Milano, Francesco

2014-07-01

Liposomes represent a versatile biomimetic environment for studying the interaction between integral membrane proteins and hydrophobic ligands. In this paper, the quinone binding to the QB-site of the photosynthetic reaction centers (RC) from Rhodobacter sphaeroides has been investigated in liposomes prepared with either the zwitterionic phosphatidylcholine (PC) or the negatively charged phosphatidylglycerol (PG) to highlight the role of the different phospholipid polar heads. Quinone binding (K Q) and interquinone electron transfer (L AB) equilibrium constants in the two type of liposomes were obtained by charge recombination reaction of QB-depleted RC in the presence of increasing amounts of ubiquinone-10 over the temperature interval 6-35 °C. The kinetic of the charge recombination reactions has been fitted by numerically solving the ordinary differential equations set associated with a detailed kinetic scheme involving electron transfer reactions coupled with quinone release and uptake. The entire set of traces at each temperature was accurately fitted using the sole quinone release constants (both in a neutral and a charge separated state) as adjustable parameters. The temperature dependence of the quinone exchange rate at the QB-site was, hence, obtained. It was found that the quinone exchange regime was always fast for PC while it switched from slow to fast in PG as the temperature rose above 20 °C. A new method was introduced in this paper for the evaluation of constant K Q using the area underneath the charge recombination traces as the indicator of the amount of quinone bound to the QB-site.

Turbulent Transport of Fast Ions in the Large Plasma Device (LAPD)

NASA Astrophysics Data System (ADS)

Zhou, Shu; Heidbrink, William; McWilliams, Roger; Boehmer, Heinrich; Carter, Troy; Popovich, Pavel; Tripathi, Shreekrishna; Vincena, Steve; Jenko, Frank

2010-11-01

Due to gyroradius averaging and drift-orbit averaging, the transport of fast ions by microturbulence is often smaller than for thermal ions. In this experiment, Strong drift wave turbulence is observed in LAPD on gradients produced by a plate obstacle. Energetic lithium ions orbit through the turbulent region. Scans with a collimated analyzer and with probes give detailed profiles of the fast ion spatial distribution and of the fluctuating fields. The fast-ion transport decreases rapidly with increasing fast-ion gyroradius. Unlike the diffusive transport caused by Coulomb collisions, in this case the turbulent transport is non-diffusive. Analysis and simulation suggest that the fast ions interact ballistically with stationary two-dimensional electrostatic turbulence. The energy dependence of the transport is well explained by gyro-averaging theory. In new experiments, different sources and obstacles alter the drift-wave turbulence to modify the nature of the transport.

Quantitative Imaging in Laboratory: Fast Kinetics and Fluorescence Quenching

ERIC Educational Resources Information Center

Cumberbatch, Tanya; Hanley, Quentin S.

2007-01-01

The process of quantitative imaging, which is very commonly used in laboratory, is shown to be very useful for studying the fast kinetics and fluorescence quenching of many experiments. The imaging technique is extremely cheap and hence can be used in many absorption and luminescence experiments.

Teaching Human Genetics with Mustard: Rapid Cycling "Brassica rapa" (Fast Plants Type) as a Model for Human Genetics in the Classroom Laboratory

ERIC Educational Resources Information Center

Wendell, Douglas L.; Pickard, Dawn

2007-01-01

We have developed experiments and materials to model human genetics using rapid cycling "Brassica rapa", also known as Fast Plants. Because of their self-incompatibility for pollination and the genetic diversity within strains, "B. rapa" can serve as a relevant model for human genetics in teaching laboratory experiments. The experiment presented…

Sarcoplasmic reticulum calcium release compared in slow-twitch and fast-twitch fibres of mouse muscle.

PubMed

Baylor, S M; Hollingworth, S

2003-08-15

Experiments were carried out to compare the amplitude and time course of Ca2+ release from the sarcoplasmic reticulum (SR) in intact slow-twitch and fast-twitch mouse fibres. Individual fibres within small bundles were injected with furaptra, a low-affinity, rapidly responding Ca2+ indicator. In response to a single action potential at 16 degrees C, the peak amplitude and half-duration of the change in myoplasmic free [Ca2+] (Delta[Ca2+]) differed significantly between fibre types (slow-twitch: peak amplitude, 9.4 +/- 1.0 microM (mean +/- S.E.M.); half-duration, 7.7 +/- 0.6 ms; fast-twitch: peak amplitude 18.5 +/- 0.5 microM; half-duration, 4.9 +/- 0.3 ms). SR Ca2+ release was estimated from Delta[Ca2+] with a computational model that calculated Ca2+ binding to the major myoplasmic Ca2+ buffers (troponin, ATP and parvalbumin); buffer concentrations and reaction rate constants were adjusted to reflect fibre-type differences. In response to an action potential, the total concentration of released Ca2+ (Delta[CaT]) and the peak rate of Ca2+ release ((d/dt)Delta[CaT]) differed about 3-fold between the fibre types (slow-twitch: Delta[CaT], 127 +/- 7 microM; (d/dt)Delta[CaT], 70 +/- 6 microM ms-1; fast-twitch: Delta[CaT], 346 +/- 6 microM; (d/dt)Delta[CaT], 212 +/- 4 microM ms-1). In contrast, the half-duration of (d/dt)Delta[CaT] was very similar in the two fibre types (slow-twitch, 1.8 +/- 0.1 ms; fast-twitch, 1.6 +/- 0.0 ms). When fibres were stimulated with a 5-shock train at 67 Hz, the peaks of (d/dt)Delta[CaT] in response to the second and subsequent shocks were much smaller than that due to the first shock; the later peaks, expressed as a fraction of the amplitude of the first peak, were similar in the two fibre types (slow-twitch, 0.2-0.3; fast-twitch, 0.1-0.3). The results support the conclusion that individual SR Ca2+ release units function similarly in slow-twitch and fast-twitch mammalian fibres.

Fibers innovative burning and reuse by Self-propagating High temperature Synthesis (SHS)

NASA Astrophysics Data System (ADS)

Caratto, Valentina; Belfortini, Claudio; Musi, Luigi; Gaggero, Laura; Ferretti, Maurizio

2016-04-01

The treatment of asbestos containing waste deriving from civil building and industrial applications is a social alert and an environmental problem. The project LIFE12 ENV/IT 000295 FIBERS "Fibers innovative burning and reuse by Self-propagating High temperature Synthesis (SHS)" has developed an innovative technique alternative to conventional high T processes. The University of Genoa has developed an apparatus and a technique for triggering the breakdown reaction of chrysotile by means of an alumino-thermic reaction in a process of combustion synthesis well known as Self-propagating High temperature Synthesis or SHS. This approach yielded interesting results and allowed the development of an efficient method for inerting natural asbestos fibers and man-made products carrying fibers at the scale of some grams [1]. The experiments were based on the couples Fe2O3/Mg by implementation of two prototype plants. The varying parameters were: 1) different Asbestos-Containing Waste (ACW) massive (Eternit, linoleum) and friable asbestos; 2) ACW abundance; 3) size of the pellet 4) under two triggering systems (induction by a W coil and oxyacetylene torch). The reactions were carried in two configurations: a) discontinuous, allowed us to obtain data for the development and fine-tuning of the reaction, b) continuous, was indispensable for the development and fine-tuning of the process parameters towards industrial scale up. After the combustive reaction all samples were characterized by SEM-EDS and XRPD analysis. All experiments demonstrated effective in destructing the fibrous habit of chrysotile, turning its composition to stubby olivine grains. We optimized the parameters to achieve complete conversion of the asbestos to mineral grains in all the cases. The efficiency of the SHS reaction in the discontinuous and continuous configurations was highlighted by the characterization of the post-combustion material under SEM-EDS and XRPD that verified the absence of fibers within the limits established by the regulations. The SHS process in comparison with conventional thermal treatments, due to fast reaction time, low activation energy, particularly advantages the asbestos inertization and positively reflects into time and costs of the process. Finally, the product of this transformation is liable to be re-used, e.g. as abrasive, or refractory material; this represents the end of waste status and a second life as secondary raw material. This work was carried out in the frame of LIFE12 ENV/IT/000295 FIBERS co-funded by the European Commission. [1] Gaggero L., Ferretti M., Belfortini C., Isola E. (2010) GE2010A000032

Type 2 diabetes patient’s perspective on Ramadan fasting: a qualitative study

PubMed Central

Lee, Jun Yang; Wong, Chee Piau; Tan, Christina San San; Nasir, Nazrila Hairizan

2017-01-01

Objective We evaluated the beliefs, experience and diabetes management strategies of type 2 diabetes mellitus (T2DM) Muslim patients that chose to fast during Ramadan. Research design and methods A semistructured focus group interview was conducted with 53 participants with T2DM. Participants were purposefully sampled and asked to share their perspective on Ramadan fasting. All interviews were audio recorded, transcribed verbatim and analyzed thematically. Results Participants reported optimism towards fasting during Ramadan, as they believed that fasting was beneficial to their overall well-being, and a time for family bonding. Most participants made limited attempts to discuss with their doctors on the decision to fast and self-adjusted their medication based on experience and symptoms during this period. They also reported difficulty in managing their diet, due to fear of hypoglycemia and the collective social aspect of fasting. Conclusion Muslims are optimistic about their well-being when fasting during Ramadan. Many choose to fulfill their religious obligation despite being discouraged by their doctors. Collaboration with religious authorities should be explored to ensure patients receive adequate education before fasting during Ramadan. Trial registration number NCT02189135; Results. PMID:28761651

Study of the Characteristics of Elementary Processes in a Chain Hydrogen Burning Reaction in Oxygen

NASA Astrophysics Data System (ADS)

Bychkov, M. E.; Petrushevich, Yu. V.; Starostin, A. N.

2017-12-01

The characteristics of possible chain explosive hydrogen burning reactions in an oxidizing medium are calculated on the potential energy surface. Specifically, reactions H2 + O2 → H2O + O, H2 + O2 → HO2 + H, and H2 + O2 → OH + OH are considered. Special attention is devoted to the production of a pair of fast highly reactive OH radicals. Because of the high activation threshold, this reaction is often excluded from the known kinetic scheme of hydrogen burning. However, a spread in estimates of kinetic characteristics and a disagreement between theoretical predictions with experimental results suggest that the kinetic scheme should be refined.

OH Radical Reactions with Nitroimidazole and Nitrotriazole Derivatives

NASA Astrophysics Data System (ADS)

Gümüş, Selçuk

2012-04-01

The reactions between hydroxyl radical and 5-nitro-1H-imidazole (A), 2-nitro-1H-imidazole (B), and 3-nitro-4H-1,2,4-triazole (C) were theoretically investigated using B3LYP/6-31G(d,p) level of theory. The OH radical additions to double bonds were explored in bulk solvent (water). The data presented show that the barriers to reaction were very low, 3-7 kcal/mol, indicating fast reactions. Thermodynamically, OH addition to position 2 of structure A leads to the most stable radical product. The main geometrical parameters are reported for reactants, transition states, and radical products together with some energetic data of the nitro-imidazolone-type final compounds.

Ultrafast Synthesis and Related Phase Evolution of Mg2Si and Mg2Sn Compounds

NASA Astrophysics Data System (ADS)

Zhang, Qiang; Lu, Qiangbing; Yan, Yonggao; Su, Xianli; Tang, Xinfeng

2017-05-01

Both Mg2Si and Mg2Sn compounds were synthesized by an ultra-fast self-propagating high-temperature synthesis (SHS) method. The data regarding SHS were obtained via theoretical calculation combined with experiments, showing that the adiabatic temperature T ad and ignition temperature T ig of Mg2Si are a little higher than those of Mg2Sn. The mechanism of phase evolution and the concomitant microstructure evolution during the synthesis process of Mg2Si and Mg2Sn compounds were investigated by adopting SHS technique coupled with a sudden quenching treatment. Differential scanning calorimetry (DSC), field emission scanning electron microscopy (FESEM), and x-ray powder diffraction (XRD) results indicate that Mg2Si compound can be directly synthesized through the reaction of Mg and Si elements at around 850 K. Correspondingly, the formation of Mg2Sn needs to undergo melting of Sn and the subsequent feeble reaction between Mg and Sn elements before the large scale transformation at 730 K. As the groundwork, this research embodies great significance for future study on the ultrafast SHS process of the ternary Mg2Si1- x Sn x solid solutions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hora, H.; Korn, G.; Eliezer, S.

Measured highly elevated gains of proton–boron (HB11) fusion (Picciottoet al., Phys. Rev. X4, 031030 (2014)) confirmed the exceptional avalanche reaction process (Lalousiset al., Laser Part. Beams 32, 409 (2014); Horaet al., Laser Part. Beams33, 607 (2015)) for the combination of the non-thermal block ignition using ultrahigh intensity laser pulses of picoseconds duration. The ultrahigh accelerationabovemore » $$10^{20}~\\text{cm}~\\text{s}^{-2}$$ for plasma blocks was theoretically and numerically predicted since 1978 (Hora,Physics of Laser Driven Plasmas(Wiley, 1981), pp. 178 and 179) and measured (Sauerbrey, Phys. Plasmas3, 4712 (1996)) in exact agreement (Horaet al., Phys. Plasmas14, 072701 (2007)) when the dominating force was overcoming thermal processes. This is based on Maxwell’s stress tensor by the dielectric properties of plasma leading to the nonlinear (ponderomotive) force $$f_{\\text{NL}}$$ resulting in ultra-fast expanding plasma blocks by a dielectric explosion. Combining this with measured ultrahigh magnetic fields and the avalanche process opens an option for an environmentally absolute clean and economic boron fusion power reactor. Finally, this is supported also by other experiments with very high HB11 reactions under different conditions (Labauneet al., Nature Commun.4, 2506 (2013)).« less

Experimentally investigate ionospheric depletion chemicals in artificially created ionosphere

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu Yu; Cao Jinxiang; Wang Jian

2012-09-15

A new approach for investigating ionosphere chemical depletion in the laboratory is introduced. Air glow discharge plasma closely resembling the ionosphere in both composition and chemical reactions is used as the artificially created ionosphere. The ionospheric depletion experiment is accomplished by releasing chemicals such as SF{sub 6}, CCl{sub 2}F{sub 2}, and CO{sub 2} into the model discharge. The evolution of the electron density is investigated by varying the plasma pressure and input power. It is found that the negative ion (SF{sub 6}{sup -}, CCl{sub 2}F{sub 2}{sup -}) intermediary species provide larger reduction of the electron density than the positive ionmore » (CO{sub 2}{sup +}) intermediary species. The negative ion intermediary species are also more efficient in producing ionospheric holes because of their fast reaction rates. Airglow enhancement attributed to SF{sub 6} and CO{sub 2} releases agrees well with the published data. Compared to the traditional methods, the new scheme is simpler to use, both in the release of chemicals and in the electron density measurements. It is therefore more efficient for investigating the release of chemicals in the ionosphere.« less

The chemical state of defective uranium-plutonium oxide fuel pins irradiated in sodium cooled reactors

NASA Astrophysics Data System (ADS)

Kleykamp, H.

1997-09-01

Steady-state irradiation experiments were conducted in the sodium loop of the Siloe reactor on artificially failed mixed oxide pins that had been pre-irradiated in fast reactors up to 11.5% burnup. The formation of the predominant reaction product Na 3(U,Pu)O 4 starts on the fuel surface and is terminated when a lower O/(U + Pu) threshold of the fuel is attained. The axial extent of the reaction product depends on the size of the initial cladding defect. The occurrence of secondary cracks is possible. Na(U,Pu)O 3 forms at higher fuel temperatures. The existence of Na 3U 1- xPu xO 4 is shown in pre-irradiated blanket pins after artificial defect formation. Caesium in the oxocompounds is reduced to the metallic state and is dissolved in the coolant. Evidence of a very low chemical potential of oxygen in defective fuel pins is sustained by the occurrence of actinide-platinum metal phases formed by coupled reduction of hypostoichiometric fuel with ɛ-(Mo,Tc,Ru,Rh,Pd) precipitates. Continued operation of defective pins is not hazardous by easy precautions.

Unintended imitation affects success in a competitive game.

PubMed

Naber, Marnix; Vaziri Pashkam, Maryam; Nakayama, Ken

2013-12-10

Imitation typically occurs in social contexts where people interact and have common goals. Here, we show that people are also highly susceptible to imitate each other in a competitive context. Pairs of players performed a competitive and fast-reaching task (a variant of the arcade whac-a-mole game) in which money could be earned if players hit brief-appearing visual targets on a large touchscreen before their opponents. In three separate experiments, we demonstrate that reaction times and movements were highly correlated within pairs of players. Players affected their success by imitating each other, and imitation depended on the visibility of the opponent's behavior. Imitation persisted, despite the competitive and demanding nature of the game, even if this resulted in lower scores and payoffs and even when there was no need to counteract the opponent's actions.