Macroeconomic Activity Module - NEMS Documentation

EIA Publications

2016-01-01

Documents the objectives, analytical approach, and development of the National Energy Modeling System (NEMS) Macroeconomic Activity Module (MAM) used to develop the Annual Energy Outlook for 2016 (AEO2016). The report catalogues and describes the module assumptions, computations, methodology, parameter estimation techniques, and mainframe source code

Controllability of the Coulomb charging energy in close-packed nanoparticle arrays.

PubMed

Duan, Chao; Wang, Ying; Sun, Jinling; Guan, Changrong; Grunder, Sergio; Mayor, Marcel; Peng, Lianmao; Liao, Jianhui

2013-11-07

We studied the electronic transport properties of metal nanoparticle arrays, particularly focused on the Coulomb charging energy. By comparison, we confirmed that it is more reasonable to estimate the Coulomb charging energy using the activation energy from the temperature-dependent zero-voltage conductance. Based on this, we systematically and comprehensively investigated the parameters that could be used to tune the Coulomb charging energy in nanoparticle arrays. We found that four parameters, including the particle core size, the inter-particle distance, the nearest neighboring number, and the dielectric constant of ligand molecules, could significantly tune the Coulomb charging energy.

Co-pyrolysis kinetics of sewage sludge and bagasse using multiple normal distributed activation energy model (M-DAEM).

PubMed

Lin, Yan; Chen, Zhihao; Dai, Minquan; Fang, Shiwen; Liao, Yanfen; Yu, Zhaosheng; Ma, Xiaoqian

2018-07-01

In this study, the kinetic models of bagasse, sewage sludge and their mixture were established by the multiple normal distributed activation energy model. Blending with sewage sludge, the initial temperature declined from 437 K to 418 K. The pyrolytic species could be divided into five categories, including analogous hemicelluloses I, hemicelluloses II, cellulose, lignin and bio-char. In these species, the average activation energies and the deviations situated at reasonable ranges of 166.4673-323.7261 kJ/mol and 0.1063-35.2973 kJ/mol, respectively, which were conformed to the references. The kinetic models were well matched to experimental data, and the R 2 were greater than 99.999%y. In the local sensitivity analysis, the distributed average activation energy had stronger effect on the robustness than other kinetic parameters. And the content of pyrolytic species determined which series of kinetic parameters were more important. Copyright © 2018 Elsevier Ltd. All rights reserved.

Investigation of second grade fluid through temperature dependent thermal conductivity and non-Fourier heat flux

NASA Astrophysics Data System (ADS)

Hayat, T.; Ahmad, Salman; Khan, M. Ijaz; Alsaedi, A.; Waqas, M.

2018-06-01

Here we investigated stagnation point flow of second grade fluid over a stretchable cylinder. Heat transfer is characterized by non-Fourier law of heat flux and thermal stratification. Temperature dependent thermal conductivity and activation energy are also accounted. Transformations procedure is applying to transform the governing PDE's into ODE's. Obtained system of ODE's are solved analytically by HAM. Influence of flow variables on velocity, temperature, concentration, skin friction and Sherwood number are analyzed. Obtained outcome shows that velocity enhanced through curvature parameter, viscoelastic parameter and velocities ratio variable. Temperature decays for larger Prandtl number, thermal stratification, thermal relaxation and curvature parameter. Sherwood number and concentration field show opposite behavior for higher estimation of activation energy, reaction rate, curvature parameter and Schmidt number.

Space-weather Parameters for 1,000 Active Regions Observed by SDO/HMI

NASA Astrophysics Data System (ADS)

Bobra, M.; Liu, Y.; Hoeksema, J. T.; Sun, X.

2013-12-01

We present statistical studies of several space-weather parameters, derived from observations of the photospheric vector magnetic field by the Helioseismic and Magnetic Imager (HMI) aboard the Solar Dynamics Observatory, for a thousand active regions. Each active region has been observed every twelve minutes during the entirety of its disk passage. Some of these parameters, such as energy density and shear angle, indicate the deviation of the photospheric magnetic field from that of a potential field. Other parameters include flux, helicity, field gradients, polarity inversion line properties, and measures of complexity. We show that some of these parameters are useful for event prediction.

Non-equilibrium thermodynamical description of rhythmic motion patterns of active systems: a canonical-dissipative approach.

PubMed

Dotov, D G; Kim, S; Frank, T D

2015-02-01

We derive explicit expressions for the non-equilibrium thermodynamical variables of a canonical-dissipative limit cycle oscillator describing rhythmic motion patterns of active systems. These variables are statistical entropy, non-equilibrium internal energy, and non-equilibrium free energy. In particular, the expression for the non-equilibrium free energy is derived as a function of a suitable control parameter. The control parameter determines the Hopf bifurcation point of the deterministic active system and describes the effective pumping of the oscillator. In analogy to the equilibrium free energy of the Landau theory, it is shown that the non-equilibrium free energy decays as a function of the control parameter. In doing so, a similarity between certain equilibrium and non-equilibrium phase transitions is pointed out. Data from an experiment on human rhythmic movements is presented. Estimates for pumping intensity as well as the thermodynamical variables are reported. It is shown that in the experiment the non-equilibrium free energy decayed when pumping intensity was increased, which is consistent with the theory. Moreover, pumping intensities close to zero could be observed at relatively slow intended rhythmic movements. In view of the Hopf bifurcation underlying the limit cycle oscillator model, this observation suggests that the intended limit cycle movements were actually more similar to trajectories of a randomly perturbed stable focus. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

Exposure to sublethal concentrations of copper changes biochemistry parameters in silver catfish, Rhamdia quelen, Quoy & Gaimard.

PubMed

Pretto, Alexandra; Loro, Vania Lucia; Silva, Vera M Machado; Salbego, Joseânia; de Menezes, Charlene Cavalheiro; Souza, Carine de Freitas; Gioda, Carolina Rosa; Baldisserotto, Bernardo

2014-04-01

The effects of Cu exposure on catalase (CAT) and acetylcholinesterase (AChE) activity, formation of thiobarbituric acid-reactive species (TBARS) and metabolic parameters were evaluated in silver catfish (Rhamdia quelen). The fish were exposed for 45 days to 0, 16 and 29 μg/L Cu. The fish that were exposed to Cu exhibited lower TBARS levels in the muscle and higher TBARS levels in the liver. They also showed lower CAT activity in the liver and lower AChE activity in the brain and muscle. Higher glucose and lactate and lower protein plasma levels were observed in the fish exposed to Cu. The changes in the hepatic metabolic parameters were Cu concentration dependent. In the muscle, lower glycogen and higher lactate levels were observed in the fish exposed to Cu. Alterations in the metabolic parameters showed a preference for the anaerobic pathway of energy production and liver protein catabolism to supply the energy demand.

Study on a Mechanical Semi-Active Heave Compensation System of Drill String for Use on Floating Drilling Platform

PubMed Central

Liu, Qingyou; Tang, Yang; Huang, Chongjun; Xie, Chong

2015-01-01

There are some disadvantages for existing heave compensation systems of drill string used for the Floating Drilling Platform (FDP), including high energy consumption, large and complex structure, and expensive manufacturing and maintenance costs. In view of the above, we present a streamlined mechanical semi-active heave compensation system (MSAHC) in this study. This system consists of active compensation part with the pinion and rack and passive compensation part. In order to evaluate system performance of the MSAHC, we establish its simulation model with AMEsim software. In the process of simulation, displacement of rotary hook and energy consumption is regarded as performance parameters of the system. And the change rule of two performance parameters are analyzed by changing these design parameters including gear radius of the pinion and rack, scale coefficient of PID, rotary hook load, heave height and heave period of the FDP, and accumulator volume. Then, based on the simulation results of the MSAHC system performance, we have selected out a best set of design parameters from them. Moreover, the feasibility of the design scheme of the MSAHC is effectively verified by comparison with the existing three heave compensation system. The result shows that the energy consumption of the MSAHC is lower than the active heave compensation system (AHC) and the semi-active heave compensation system (SAHC) when achieving a same compensation effect as well as the accumulator volume of MSAHC is half of the passive heave compensation system (PHC). Therefore, the new designed MSAHC not only ensure compensation effect but also lower energy consumption, and its structure is simplified by adopting the simple mechanical structure to decrease manufacturing cost, maintenance cost and floor space. PMID:26186620

The Stress-Dependent Activation Parameters for Dislocation Nucleation in Molybdenum Nanoparticles.

PubMed

Chachamovitz, Doron; Mordehai, Dan

2018-03-02

Many specimens at the nanoscale are pristine of dislocations, line defects which are the main carriers of plasticity. As a result, they exhibit extremely high strengths which are dislocation-nucleation controlled. Since nucleation is a thermally activated process, it is essential to quantify the stress-dependent activation parameters for dislocation nucleation in order to study the strength of specimens at the nanoscale and its distribution. In this work, we calculate the strength of Mo nanoparticles in molecular dynamics simulations and we propose a method to extract the activation free-energy barrier for dislocation nucleation from the distribution of the results. We show that by deforming the nanoparticles at a constant strain rate, their strength distribution can be approximated by a normal distribution, from which the activation volumes at different stresses and temperatures are calculated directly. We found that the activation energy dependency on the stress near spontaneous nucleation conditions obeys a power-law with a critical exponent of approximately 3/2, which is in accordance with critical exponents found in other thermally activated processes but never for dislocation nucleation. Additionally, significant activation entropies were calculated. Finally, we generalize the approach to calculate the activation parameters for other driving-force dependent thermally activated processes.

Research on simulation system with the wide range and high-precision laser energy characteristics

NASA Astrophysics Data System (ADS)

Dong, Ke-yan; Lou, Yan; He, Jing-yi; Tong, Shou-feng; Jiang, Hui-lin

2012-10-01

The Hardware-in-the-loop(HWIL) simulation test is one of the important parts for the development and performance testing of semi-active laser-guided weapons. In order to obtain accurate results, the confidence level of the target environment should be provided for a high-seeker during the HWIL simulation test of semi-active laser-guided weapons, and one of the important simulation parameters is the laser energy characteristic. In this paper, based on the semi-active laser-guided weapon guidance principles, an important parameter of simulation of confidence which affects energy characteristics in performance test of HWIL simulation was analyzed. According to the principle of receiving the same energy by using HWIL simulation and in practical application, HWIL energy characteristics simulation systems with the crystal absorption structure was designed. And on this basis, the problems of optimal design of the optical system were also analyzed. The measured results show that the dynamic attenuation range of the system energy is greater than 50dB, the dynamic attenuation stability is less than 5%, and the maximum energy changing rate driven by the servo motor is greater than 20dB/s.

Wireless device for activation of an underground shock wave absorber

NASA Astrophysics Data System (ADS)

Chikhradze, M.; Akhvlediani, I.; Bochorishvili, N.; Mataradze, E.

2011-10-01

The paper describes the mechanism and design of the wireless device for activation of energy absorber for localization of blast energy in underground openings. The statistics shows that the greatest share of accidents with fatal results associate with explosions in coal mines due to aero-methane and/or air-coal media explosion. The other significant problem is terrorist or accidental explosions in underground structures. At present there are different protective systems to reduce the blast energy. One of the main parts of protective Systems is blast Identification and Registration Module. The works conducted at G. Tsulukidze Mining Institute of Georgia enabled to construct the wireless system of explosion detection and mitigation of shock waves. The system is based on the constant control on overpressure. The experimental research continues to fulfill the system based on both threats, on the constant control on overpressure and flame parameters, especially in underground structures and coal mines. Reaching the threshold value of any of those parameters, the system immediately starts the activation. The absorber contains a pyrotechnic device ensuring the discharge of dispersed water. The operational parameters of wireless device and activation mechanisms of pyrotechnic element of shock wave absorber are discussed in the paper.

Dome diagnostics system of optical parameters and characteristics of LEDs

NASA Astrophysics Data System (ADS)

Peretyagin, Vladimir S.; Pavlenko, Nikita A.

2017-09-01

Scientific and technological progress of recent years in the production of the light emitting diodes (LEDs) has led to the expansion of areas of their application from the simplest systems to high precision lighting devices used in various fields of human activity. However, development and production (especially mass production) of LED lighting devices are impossible without a thorough analysis of its parameters and characteristics. There are many ways and devices for analysis the spatial, energy and colorimetric parameters of LEDs. The most methods are intended for definition only one parameter (for example, luminous flux) or one characteristic (for example, the angular distribution of energy or the spectral characteristics). Besides, devices used these methods are intended for measuring parameters in only one point or plane. This problem can be solved by using a dome diagnostics system of optical parameters and characteristics of LEDs, developed by specialists of the department OEDS chair of ITMO University in Russia. The paper presents the theoretical aspects of the analysis of LED's spatial (angular), energy and color parameters by using mentioned of diagnostics system. The article also presents the results of spatial), energy and color parameters measurements of some LEDs brands.

Deuteron spin-lattice relaxation in the presence of an activation energy distribution: application to methanols in zeolite NaX.

PubMed

Stoch, G; Ylinen, E E; Birczynski, A; Lalowicz, Z T; Góra-Marek, K; Punkkinen, M

2013-02-01

A new method is introduced for analyzing deuteron spin-lattice relaxation in molecular systems with a broad distribution of activation energies and correlation times. In such samples the magnetization recovery is strongly non-exponential but can be fitted quite accurately by three exponentials. The considered system may consist of molecular groups with different mobility. For each group a Gaussian distribution of the activation energy is introduced. By assuming for every subsystem three parameters: the mean activation energy E(0), the distribution width σ and the pre-exponential factor τ(0) for the Arrhenius equation defining the correlation time, the relaxation rate is calculated for every part of the distribution. Experiment-based limiting values allow the grouping of the rates into three classes. For each class the relaxation rate and weight is calculated and compared with experiment. The parameters E(0), σ and τ(0) are determined iteratively by repeating the whole cycle many times. The temperature dependence of the deuteron relaxation was observed in three samples containing CD(3)OH (200% and 100% loading) and CD(3)OD (200%) in NaX zeolite and analyzed by the described method between 20K and 170K. The obtained parameters, equal for all the three samples, characterize the methyl and hydroxyl mobilities of the methanol molecules at two different locations. Copyright © 2012 Elsevier Inc. All rights reserved.

Thermal oxidative degradation kinetics of agricultural residues using distributed activation energy model and global kinetic model.

PubMed

Ren, Xiu'e; Chen, Jianbiao; Li, Gang; Wang, Yanhong; Lang, Xuemei; Fan, Shuanshi

2018-08-01

The study concerned the thermal oxidative degradation kinetics of agricultural residues, peanut shell (PS) and sunflower shell (SS). The thermal behaviors were evaluated via thermogravimetric analysis and the kinetic parameters were determined by using distributed activation energy model (DAEM) and global kinetic model (GKM). Results showed that thermal oxidative decomposition of two samples processed in three zones; the ignition, burnout, and comprehensive combustibility between two agricultural residues were of great difference; and the combustion performance could be improved by boosting heating rate. The activation energy ranges calculated by the DAEM for the thermal oxidative degradation of PS and SS were 88.94-145.30 kJ mol -1 and 94.86-169.18 kJ mol -1 , respectively. The activation energy obtained by the GKM for the oxidative decomposition of hemicellulose and cellulose was obviously lower than that for the lignin oxidation at identical heating rate. To some degree, the determined kinetic parameters could acceptably simulate experimental data. Copyright © 2018 Elsevier Ltd. All rights reserved.

Modeling and optimization of actively Q-switched Nd-doped quasi-three-level laser

NASA Astrophysics Data System (ADS)

Yan, Renpeng; Yu, Xin; Li, Xudong; Chen, Deying; Gao, Jing

2013-09-01

The energy transfer upconversion and the ground state absorption are considered in solving the rate equations for an active Q-switched quasi-three-level laser. The dependence of output pulse characters on the laser parameters is investigated by solving the rate equations. The influence of the energy transfer upconversion on the pulsed laser performance is illustrated and discussed. By this model, the optimal parameters could be achieved for arbitrary quasi-three-level Q-switched lasers. An acousto-optical Q-switched Nd:YAG 946 nm laser is constructed and the reliability of the theoretical model is demonstrated.

Bringing metabolic networks to life: convenience rate law and thermodynamic constraints

PubMed Central

Liebermeister, Wolfram; Klipp, Edda

2006-01-01

Background Translating a known metabolic network into a dynamic model requires rate laws for all chemical reactions. The mathematical expressions depend on the underlying enzymatic mechanism; they can become quite involved and may contain a large number of parameters. Rate laws and enzyme parameters are still unknown for most enzymes. Results We introduce a simple and general rate law called "convenience kinetics". It can be derived from a simple random-order enzyme mechanism. Thermodynamic laws can impose dependencies on the kinetic parameters. Hence, to facilitate model fitting and parameter optimisation for large networks, we introduce thermodynamically independent system parameters: their values can be varied independently, without violating thermodynamical constraints. We achieve this by expressing the equilibrium constants either by Gibbs free energies of formation or by a set of independent equilibrium constants. The remaining system parameters are mean turnover rates, generalised Michaelis-Menten constants, and constants for inhibition and activation. All parameters correspond to molecular energies, for instance, binding energies between reactants and enzyme. Conclusion Convenience kinetics can be used to translate a biochemical network – manually or automatically - into a dynamical model with plausible biological properties. It implements enzyme saturation and regulation by activators and inhibitors, covers all possible reaction stoichiometries, and can be specified by a small number of parameters. Its mathematical form makes it especially suitable for parameter estimation and optimisation. Parameter estimates can be easily computed from a least-squares fit to Michaelis-Menten values, turnover rates, equilibrium constants, and other quantities that are routinely measured in enzyme assays and stored in kinetic databases. PMID:17173669

Slow crack growth in glass in combined mode I and mode II loading

NASA Technical Reports Server (NTRS)

Shetty, D. K.; Rosenfield, A. R.

1991-01-01

Slow crack growth in soda-lime glass under combined mode I and mode II loading was investigated in precracked disk specimens in which pure mode I, pure mode II, and various combinations of mode I and mode II were achieved by loading in diametral compression at selected angles with respect to symmetric radial cracks. It is shown that slow crack growth under these conditions can be described by a simple exponential relationship with elastic strain energy release rate as the effective crack-driving force parameter. It is possible to interpret this equation in terms of theoretical models that treat subcritical crack growth as a thermally activated bond-rupture process with an activation energy dependent on the environment, and the elastic energy release rate as the crack-driving force parameter.

Reactivity of fluoroalkanes in reactions of coordinated molecular decomposition

NASA Astrophysics Data System (ADS)

Pokidova, T. S.; Denisov, E. T.

2017-08-01

Experimental results on the coordinated molecular decomposition of RF fluoroalkanes to olefin and HF are analyzed using the model of intersecting parabolas (IPM). The kinetic parameters are calculated to allow estimates of the activation energy ( E) and rate constant ( k) of these reactions, based on enthalpy and IPM algorithms. Parameters E and k are found for the first time for eight RF decomposition reactions. The factors that affect activation energy E of RF decomposition (the enthalpy of the reaction, the electronegativity of the atoms of reaction centers, and the dipole-dipole interaction of polar groups) are determined. The values of E and k for reverse reactions of addition are estimated.

Effects of atmospheric composition on apparent activation energy of silicate weathering: I. Model formulation

NASA Astrophysics Data System (ADS)

Kanzaki, Yoshiki; Murakami, Takashi

2018-07-01

We have developed a weathering model to comprehensively understand the determining factors of the apparent activation energy of silicate weathering in order to better estimate the silicate-weathering flux in the Precambrian. The model formulates the reaction rate of a mineral as a basis, then the elemental loss by summing the reaction rates of whole minerals, and finally the weathering flux from a given weathering profile by integrating the elemental losses along the depth of the profile. The rate expressions are formulated with physicochemical parameters relevant to weathering, including solution and atmospheric compositions. The apparent activation energies of silicate weathering are then represented by the temperature dependences of the physicochemical parameters based on the rate expressions. It was found that the interactions between individual mineral-reactions and the compositions of solution and atmosphere are necessarily accompanied by those of temperature-dependence counterparts. Indeed, the model calculates the apparent activation energy of silicate weathering as a function of the temperature dependence of atmospheric CO2 (Δ HCO2‧) . The dependence of the apparent activation energy of silicate weathering on Δ HCO2‧ may explain the empirical dependence of silicate weathering on the atmospheric composition. We further introduce a compensation law between the apparent activation energy and the pre-exponential factor to obtain the relationship between the silicate-weathering flux (FCO2), temperature and the apparent activation energy. The model calculation and the compensation law enable us to predict FCO2 as a function of temperature, once Δ HCO2‧ is given. The validity of the model is supported by agreements between the model prediction and observations of the apparent activation energy and FCO2 in the modern weathering systems. The present weathering model will be useful for the estimation of FCO2 in the Precambrian, for which Δ HCO2‧ can be deduced from the greenhouse effect of atmospheric CO2.

Correlation between physical properties and ultrasonic relaxation parameters in transition metal tellurite glasses

NASA Astrophysics Data System (ADS)

Abd El-Moneim, A.

2003-07-01

The correlation between activation energy of ultrasonic relaxation process through the temperature range from 140 to 300 K and some physical properties has been investigated in pure TeO 2 and transition metal TeO 2-V 2O 5 and TeO 2-MoO 3 glasses according to Bridge and Patel's theory. The oxygen density (loss centers), number of two-well systems, hopping distance and mechanical relaxation time have been calculated in these glasses from the data of density, bulk modulus and stretching force constant of the glass. It has been found that the acoustic activation energy increased linearly with both the oxygen density and the number of two-well systems. The correlation between the acoustic activation energy and bulk modulus was achieved through the stretching force constant of the network and other structural parameters. Moreover, the experimental values of activation energy (V) agree well with those calculated from an empirical equation presented in this study in the form V=2.9×10 -7 F( F/ K) 3.37, where F is the stretching force constant of the glass and K is the experimental bulk modulus.

Structural Relaxation of Vit4Amorphous Alloy by the Enthalpy Relaxation

NASA Astrophysics Data System (ADS)

O'Reilly, James; Hammond, Vincent

2002-03-01

The structural relaxation of an amorphous alloy designated Vit4 has been investigated as a function of thermal history using differential scanning calorimetry. Results indicate that the width of the glass transition region is approximately 30 °C, which is broader than molecular or polymeric glasses but similar to inorganic glasses. The broad transition implies a large distribution of relaxation times, a low activation energy, or a combination of these effects. The Tool-Narayanaswamy model for structural relaxation has been used to analyze the change in fictive temperature that occurs for a series of cooling rates. The activation energy calculated from these data the is 187 kJ/mol, a value that is low compared to other glasses. Using optimization programs, the other relaxation parameters, the characteristic relaxation time, the non-linearity parameter, x, and the fractional exponent of distribution of relaxation times, b, were determined from the experimental specific heat curves. Although the parameters were in good agreement with values typical of other glassy materials, there appears to be less correlation between them than is observed in molecular and polymeric glasses. The results obtained in this study indicate that the structural relaxation of Vit 4 is similar to other glasses except for a low activation energy with high glass transition. This could be due to a low free volume or configurational entropy. The width of the glass transition could result from a large distribution of relaxation times or a low activation energy. The exponent of the distribution of relaxation times, b, is 0.45±0.1 and the non-linearity parameter, x =0.5±0.2. The structural relaxation of Vit 4 is dominated by a low activation energy which is related to the atomic jump motion of hard spheres. The DCp at Tg should be 11.7 J/mol. deg per bead according to Wunderlich’s rule. This means that the change in Cp at Tg in Vit4 can be accounted for by one bead although there are five metal components in the glass. More detailed comparisons with other glass formers will be presented.

Synthesis, biological evaluation and molecular modeling of novel series of pyridine derivatives as anticancer, anti-inflammatory and analgesic agents

NASA Astrophysics Data System (ADS)

Helal, M. H.; El-Awdan, S. A.; Salem, M. A.; Abd-elaziz, T. A.; Moahamed, Y. A.; El-Sherif, A. A.; Mohamed, G. A. M.

2015-01-01

This paper presents a combined synthesis; characterization, computational and biological activity studies of novel series of pyridines heterocyclic compounds. The compounds have been characterized by elemental analyses and spectral like IR, 1H NMR, 13C NMR and MS studies. Michael addition of substituted-2-methoxycarbonylacetanilide 2a,b on the α-substituted cinnamonitriles 3a-d gave the corresponding 2-pyridone derivatives 5-10. Structures of the titled compounds cited in this article were elucidated by spectrometric data (IR, 1H NMR, 13C NMR and MS). The molecular modeling of the synthesized compounds has been drawn and their molecular parameters were calculated. Also, valuable information is obtained from the calculation of molecular parameters including electronegativity, net dipole moment of the compounds, total energy, electronic energy, binding energy, HOMO and LUMO energy. Various in vitro antitumor as well as in vivo anti-inflammatory and analgesic activities of the synthesized compounds were investigated. Evaluation of anti-inflammatory activity of test compounds was performed using carrageenan induced paw edema in rats. All the tested compounds showed moderate to good activity. The SAR results indicate that all compounds showed moderate to good activity, among these 7 and 10 compounds having -N(CH3)2 group are most effective.

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

Rabello-Soares, M. Cristina; Bogart, Richard S.; Scherrer, Philip H., E-mail: cristina@fisica.ufmg.br

In order to quantify the influence of magnetic fields on acoustic mode parameters and flows in and around active regions, we analyze the differences in the parameters in magnetically quiet regions nearby an active region (which we call “nearby regions”), compared with those of quiet regions at the same disk locations for which there are no neighboring active regions. We also compare the mode parameters in active regions with those in comparably located quiet regions. Our analysis is based on ring-diagram analysis of all active regions observed by the Helioseismic and Magnetic Imager (HMI) during almost five years. We findmore » that the frequency at which the mode amplitude changes from attenuation to amplification in the quiet nearby regions is around 4.2 mHz, in contrast to the active regions, for which it is about 5.1 mHz. This amplitude enhacement (the “acoustic halo effect”) is as large as that observed in the active regions, and has a very weak dependence on the wave propagation direction. The mode energy difference in nearby regions also changes from a deficit to an excess at around 4.2 mHz, but averages to zero over all modes. The frequency difference in nearby regions increases with increasing frequency until a point at which the frequency shifts turn over sharply, as in active regions. However, this turnover occurs around 4.9 mHz, which is significantly below the acoustic cutoff frequency. Inverting the horizontal flow parameters in the direction of the neigboring active regions, we find flows that are consistent with a model of the thermal energy flow being blocked directly below the active region.« less

Ion-dipole interactions in concentrated organic electrolytes.

PubMed

Chagnes, Alexandre; Nicolis, Stamatios; Carré, Bernard; Willmann, Patrick; Lemordant, Daniel

2003-06-16

An algorithm is proposed for calculating the energy of ion-dipole interactions in concentrated organic electrolytes. The ion-dipole interactions increase with increasing salt concentration and must be taken into account when the activation energy for the conductivity is calculated. In this case, the contribution of ion-dipole interactions to the activation energy for this transport process is of the same order of magnitude as the contribution of ion-ion interactions. The ion-dipole interaction energy was calculated for a cell of eight ions, alternatingly anions and cations, placed on the vertices of an expanded cubic lattice whose parameter is related to the mean interionic distance (pseudolattice theory). The solvent dipoles were introduced randomly into the cell by assuming a randomness compacity of 0.58. The energy of the dipole assembly in the cell was minimized by using a Newton-Raphson numerical method. The dielectric field gradient around ions was taken into account by a distance parameter and a dielectric constant of epsilon = 3 at the surfaces of the ions. A fair agreement between experimental and calculated activation energy has been found for systems composed of gamma-butyrolactone (BL) as solvent and lithium perchlorate (LiClO4), lithium tetrafluoroborate (LiBF4), lithium hexafluorophosphate (LiPF6), lithium hexafluoroarsenate (LiAsF6), and lithium bis(trifluoromethylsulfonyl)imide (LiTFSI) as salts.

Investigation of thermodynamic parameters in the thermal decomposition of plastic waste-waste lube oil compounds.

PubMed

Kim, Yong Sang; Kim, Young Seok; Kim, Sung Hyun

2010-07-01

Thermal decomposition properties of plastic waste-waste lube oil compounds were investigated under nonisothermal conditions. Polyethylene (PE), polypropylene (PP), polystyrene (PS), and polyethylene terephthalate (PET) were selected as representative household plastic wastes. A plastic waste mixture (PWM) and waste lube oil (WLO) were mixed with mixing ratios of 33, 50, and 67 (w/w) % on a PWM weight basis, and thermogravimetric (TG) experiments were performed from 25 to 600 degrees C. The Flynn-Wall method and the Ozawa-Flynn-Wall method were used for analyses of thermodynamic parameters. In this study, activation energies of PWM/WLO compounds ranged from 73.4 to 229.6 kJ/mol between 0.2 and 0.8 of normalized mass conversions, and the 50% PWM/WLO compound had lower activation energies and enthalpies among the PWM/WLO samples at each mass conversion. At the point of maximum differential mass conversion, the analyzed activation energies, enthalpies, entropies, and Gibbs free energies indicated that mixing PWM and WLO has advantages in reducing energy to decrease the degree of disorder. However, no difference in overall energy that would require overcoming both thermal decomposition reactions and degree of disorder was observed among PWM/WLO compounds under these experimental conditions.

Inferring the temperature dependence of population parameters: the effects of experimental design and inference algorithm

PubMed Central

Palamara, Gian Marco; Childs, Dylan Z; Clements, Christopher F; Petchey, Owen L; Plebani, Marco; Smith, Matthew J

2014-01-01

Understanding and quantifying the temperature dependence of population parameters, such as intrinsic growth rate and carrying capacity, is critical for predicting the ecological responses to environmental change. Many studies provide empirical estimates of such temperature dependencies, but a thorough investigation of the methods used to infer them has not been performed yet. We created artificial population time series using a stochastic logistic model parameterized with the Arrhenius equation, so that activation energy drives the temperature dependence of population parameters. We simulated different experimental designs and used different inference methods, varying the likelihood functions and other aspects of the parameter estimation methods. Finally, we applied the best performing inference methods to real data for the species Paramecium caudatum. The relative error of the estimates of activation energy varied between 5% and 30%. The fraction of habitat sampled played the most important role in determining the relative error; sampling at least 1% of the habitat kept it below 50%. We found that methods that simultaneously use all time series data (direct methods) and methods that estimate population parameters separately for each temperature (indirect methods) are complementary. Indirect methods provide a clearer insight into the shape of the functional form describing the temperature dependence of population parameters; direct methods enable a more accurate estimation of the parameters of such functional forms. Using both methods, we found that growth rate and carrying capacity of Paramecium caudatum scale with temperature according to different activation energies. Our study shows how careful choice of experimental design and inference methods can increase the accuracy of the inferred relationships between temperature and population parameters. The comparison of estimation methods provided here can increase the accuracy of model predictions, with important implications in understanding and predicting the effects of temperature on the dynamics of populations. PMID:25558365

Effects of chronic exposure to cadmium and temperature, alone or combined, on the threespine stickleback (Gasterosteus aculeatus): Interest of digestive enzymes as biomarkers.

PubMed

Hani, Younes Mohamed Ismail; Turies, Cyril; Palluel, Olivier; Delahaut, Laurence; Gaillet, Véronique; Bado-Nilles, Anne; Porcher, Jean-Marc; Geffard, Alain; Dedourge-Geffard, Odile

2018-06-01

The development of predictive, sensitive and reliable biomarkers is of crucial importance for aquatic biomonitoring to assess the effects of chemical substances on aquatic organisms, especially when it comes to combined effects with other stressors (e.g. temperature). The first purpose of the present study was to evaluate the single and combined effects of 90 days of exposure to an environmental cadmium concentration (0.5 μg L -1 ) and two water temperatures (16 and 21 °C) on different parameters. These parameters are involved in (i) the antioxidant system (superoxide dismutase activity -SOD- and total glutathione levels -GSH-), (ii) the energy metabolism, i.e. energy reserves (glycogen, lipids, proteins) and digestive enzymes (trypsin, amylase, intestinal alkaline phosphatase -IAP-), and (iii) biometric parameters (weight, length, Fulton's condition factor, and the gonadosomatic index -GSI-) of threespine stickleback (Gasterosteus aculeatus). The second purpose was to determine the interest of the three digestive enzymes as biomarkers in comparison with the other parameters. The higher temperature (21 °C) impacted the anti-oxidant and energy reserve parameters. In liver, GSH levels increased on day 60, while SOD decreased on days 15 and 90, with a significant decrease of protein and lipid energy reserves on day 90. In muscle, the higher temperature decreased SOD activity only on day 90. G. aculeatus biometric parameters were also impacted by the higher temperature, which limited stickleback growth after 90 days of exposure. In female sticklebacks, the GSI peaked on day 60 and decreased sharply on day 90, while the highest values were reached at day 90 in the control groups, suggesting impaired reproduction in sticklebacks raised at 21 °C. These results suggest that 21 °C is an upper-limit temperature for long-term physiological processes in sticklebacks. In contrast, very low-concentration cadmium exposure had no effect on classical biomarkers (energy reserves, antioxidant parameters, biometric parameters). However, digestive enzymes showed an interesting sensitivity to cadmium, which was emphasized by high temperature. The activity of the three digestive enzymes decreased significantly on day 90 when sticklebacks were exposed to cadmium alone, while the decrease was stronger and was recorded earlier (from day 15) when they were exposed to the cadmium-temperature combination. Compared to conventional measurements, digestive enzymes responded rapidly. This could be an important advantage for them to be used as early warning tools to reflect the health status of organisms, particularly for trypsin and IAP activities. Copyright © 2018 Elsevier B.V. All rights reserved.

The Influence of Solvent on the Structural Properties of trans-(NHC)PtI2Py Complex: A Platinum-Based Anticancer Drug

NASA Astrophysics Data System (ADS)

Sadigh Vishkaee, Teherh; Fazaeli, Reza

2018-06-01

Quantum chemical calculations using MPW1PW91 method were applied to analyze the solvent effect on the structural, spectral, and thermochemical parameters for a platinum-based anticancer drug trans-(NHC)PtI2Py complex. The solvent effects were examined by the self-consistent reaction field theory (SCRF) based on Polarizable Continuum Model (PCM). The linear correlations between the solvation energies, HOMO-LUMO gaps, IR-active stretching vibration of Pt-N bonds and N-H of NHC ligand with dielectric constants of solvents were studied. The wave numbers of these IR-active stretching vibrations in different solvents were correlated with the Kirkwood-Bauer-Magat equation (KBM). The thermodynamic activation parameter such free energy of solvation, enthalpy of solvation were also calculated.

Solar wind control of auroral zone geomagnetic activity

NASA Technical Reports Server (NTRS)

Clauer, C. R.; Mcpherron, R. L.; Searls, C.; Kivelson, M. G.

1981-01-01

Solar wind magnetosphere energy coupling functions are analyzed using linear prediction filtering with 2.5 minute data. The relationship of auroral zone geomagnetic activity to solar wind power input functions are examined, and a least squares prediction filter, or impulse response function is designed from the data. Computed impulse response functions are observed to have characteristics of a low pass filter with time delay. The AL index is found well related to solar wind energy functions, although the AU index shows a poor relationship. High frequency variations of auroral indices and substorm expansions are not predictable with solar wind information alone, suggesting influence by internal magnetospheric processes. Finally, the epsilon parameter shows a poorer relationship with auroral geomagnetic activity than a power parameter, having a VBs solar wind dependency.

Disturbance observer based active and adaptive synchronization of energy resource chaotic system.

PubMed

Wei, Wei; Wang, Meng; Li, Donghai; Zuo, Min; Wang, Xiaoyi

2016-11-01

In this paper, synchronization of a three-dimensional energy resource chaotic system is considered. For the sake of achieving the synchronization between the drive and response systems, two different nonlinear control approaches, i.e. active control with known parameters and adaptive control with unknown parameters, have been designed. In order to guarantee the transient performance, finite-time boundedness (FTB) and finite-time stability (FTS) are introduced in the design of active control and adaptive control, respectively. Simultaneously, in view of the existence of disturbances, a new disturbance observer is proposed to estimate the disturbance. The conditions of the asymptotic stability for the closed-loop system are obtained. Numerical simulations are provided to illustrate the proposed approaches. Copyright © 2016 ISA. Published by Elsevier Ltd. All rights reserved.

Application of the thermorheologically complex nonlinear Adam-Gibbs model for the glass transition to molecular motion in hydrated proteins.

PubMed

Hodge, Ian M

2006-08-01

The nonlinear thermorheologically complex Adam Gibbs (extended "Scherer-Hodge") model for the glass transition is applied to enthalpy relaxation data reported by Sartor, Mayer, and Johari for hydrated methemoglobin. A sensible range in values for the average localized activation energy is obtained (100-200 kJ mol(-1)). The standard deviation in the inferred Gaussian distribution of activation energies, computed from the reported KWW beta-parameter, is approximately 30% of the average, consistent with the suggestion that some relaxation processes in hydrated proteins have exceptionally low activation energies.

Cluster kinetics model for mixtures of glassformers

NASA Astrophysics Data System (ADS)

Brenskelle, Lisa A.; McCoy, Benjamin J.

2007-10-01

For glassformers we propose a binary mixture relation for parameters in a cluster kinetics model previously shown to represent pure compound data for viscosity and dielectric relaxation as functions of either temperature or pressure. The model parameters are based on activation energies and activation volumes for cluster association-dissociation processes. With the mixture parameters, we calculated dielectric relaxation times and compared the results to experimental values for binary mixtures. Mixtures of sorbitol and glycerol (seven compositions), sorbitol and xylitol (three compositions), and polychloroepihydrin and polyvinylmethylether (three compositions) were studied.

Transient photoresponse in amorphous In-Ga-Zn-O thin films under stretched exponential analysis

NASA Astrophysics Data System (ADS)

Luo, Jiajun; Adler, Alexander U.; Mason, Thomas O.; Bruce Buchholz, D.; Chang, R. P. H.; Grayson, M.

2013-04-01

We investigated transient photoresponse and Hall effect in amorphous In-Ga-Zn-O thin films and observed a stretched exponential response which allows characterization of the activation energy spectrum with only three fit parameters. Measurements of as-grown films and 350 K annealed films were conducted at room temperature by recording conductivity, carrier density, and mobility over day-long time scales, both under illumination and in the dark. Hall measurements verify approximately constant mobility, even as the photoinduced carrier density changes by orders of magnitude. The transient photoconductivity data fit well to a stretched exponential during both illumination and dark relaxation, but with slower response in the dark. The inverse Laplace transforms of these stretched exponentials yield the density of activation energies responsible for transient photoconductivity. An empirical equation is introduced, which determines the linewidth of the activation energy band from the stretched exponential parameter β. Dry annealing at 350 K is observed to slow the transient photoresponse.

Amino acids at water-vapor interfaces: surface activity and orientational ordering.

PubMed

Vöhringer-Martinez, Esteban; Toro-Labbé, Alejandro

2010-10-14

The surface activity and orientational ordering of amino acids at water-vapor interfaces were studied with molecular dynamics simulations in combination with thermodynamic integration and umbrella sampling. Asparagine, representing amino acids with polar side chains, displays no surface activity. Tryptophan, in contrast, with its hydrophobic indole ring as side chain unveils a free energy minimum at the water-vapor interface, which lies 6 kJ/mol under the hydration free energy. To study the orientational ordering of tryptophan along the interface, the order parameter was calculated. At the free energy minimum and at the Gibbs dividing surface, the order parameter reveals a parallel alignment of the indole ring with the water surface exposing the π-system to electrophiles in the hydrophobic phase and indicating polarization dependent spectroscopy. In the vicinity of this position a perpendicular orientation is obtained. The surface excess, calculated from the potential of mean force along the interface, is in excellent agreement with experimental measurements.

Classical nucleation theory of homogeneous freezing of water: thermodynamic and kinetic parameters.

PubMed

Ickes, Luisa; Welti, André; Hoose, Corinna; Lohmann, Ulrike

2015-02-28

The probability of homogeneous ice nucleation under a set of ambient conditions can be described by nucleation rates using the theoretical framework of Classical Nucleation Theory (CNT). This framework consists of kinetic and thermodynamic parameters, of which three are not well-defined (namely the interfacial tension between ice and water, the activation energy and the prefactor), so that any CNT-based parameterization of homogeneous ice formation is less well-constrained than desired for modeling applications. Different approaches to estimate the thermodynamic and kinetic parameters of CNT are reviewed in this paper and the sensitivity of the calculated nucleation rate to the choice of parameters is investigated. We show that nucleation rates are very sensitive to this choice. The sensitivity is governed by one parameter - the interfacial tension between ice and water, which determines the energetic barrier of the nucleation process. The calculated nucleation rate can differ by more than 25 orders of magnitude depending on the choice of parameterization for this parameter. The second most important parameter is the activation energy of the nucleation process. It can lead to a variation of 16 orders of magnitude. By estimating the nucleation rate from a collection of droplet freezing experiments from the literature, the dependence of these two parameters on temperature is narrowed down. It can be seen that the temperature behavior of these two parameters assumed in the literature does not match with the predicted nucleation rates from the fit in most cases. Moreover a comparison of all possible combinations of theoretical parameterizations of the dominant two free parameters shows that one combination fits the fitted nucleation rates best, which is a description of the interfacial tension coming from a molecular model [Reinhardt and Doye, J. Chem. Phys., 2013, 139, 096102] in combination with the activation energy derived from self-diffusion measurements [Zobrist et al., J. Phys. Chem. C, 2007, 111, 2149]. However, some fundamental understanding of the processes is still missing. Further research in future might help to tackle this problem. The most important questions, which need to be answered to constrain CNT, are raised in this study.

Chemical reaction mechanisms in solution from brute force computational Arrhenius plots.

PubMed

Kazemi, Masoud; Åqvist, Johan

2015-06-01

Decomposition of activation free energies of chemical reactions, into enthalpic and entropic components, can provide invaluable signatures of mechanistic pathways both in solution and in enzymes. Owing to the large number of degrees of freedom involved in such condensed-phase reactions, the extensive configurational sampling needed for reliable entropy estimates is still beyond the scope of quantum chemical calculations. Here we show, for the hydrolytic deamination of cytidine and dihydrocytidine in water, how direct computer simulations of the temperature dependence of free energy profiles can be used to extract very accurate thermodynamic activation parameters. The simulations are based on empirical valence bond models, and we demonstrate that the energetics obtained is insensitive to whether these are calibrated by quantum mechanical calculations or experimental data. The thermodynamic activation parameters are in remarkable agreement with experiment results and allow discrimination among alternative mechanisms, as well as rationalization of their different activation enthalpies and entropies.

Chemical reaction mechanisms in solution from brute force computational Arrhenius plots

PubMed Central

Kazemi, Masoud; Åqvist, Johan

2015-01-01

Decomposition of activation free energies of chemical reactions, into enthalpic and entropic components, can provide invaluable signatures of mechanistic pathways both in solution and in enzymes. Owing to the large number of degrees of freedom involved in such condensed-phase reactions, the extensive configurational sampling needed for reliable entropy estimates is still beyond the scope of quantum chemical calculations. Here we show, for the hydrolytic deamination of cytidine and dihydrocytidine in water, how direct computer simulations of the temperature dependence of free energy profiles can be used to extract very accurate thermodynamic activation parameters. The simulations are based on empirical valence bond models, and we demonstrate that the energetics obtained is insensitive to whether these are calibrated by quantum mechanical calculations or experimental data. The thermodynamic activation parameters are in remarkable agreement with experiment results and allow discrimination among alternative mechanisms, as well as rationalization of their different activation enthalpies and entropies. PMID:26028237

A thermal extrapolation method for the effective temperatures and internal energies of activated ions

NASA Astrophysics Data System (ADS)

Meot-Ner (Mautner), Michael; Somogyi, Árpád

2007-11-01

The internal energies of dissociating ions, activated chemically or collisionally, can be estimated using the kinetics of thermal dissociation. The thermal Arrhenius parameters can be combined with the observed dissociation rate of the activated ions using kdiss = Athermalexp(-Ea,thermal/RTeff). This Arrhenius-type relation yields the effective temperature, Teff, at which the ions would dissociate thermally at the same rate, or yield the same product distributions, as the activated ions. In turn, Teff is used to calculate the internal energy of the ions and the energy deposited by the activation process. The method yields an energy deposition efficiency of 10% for a chemical ionization proton transfer reaction and 8-26% for the surface collisions of various peptide ions. Internal energies of ions activated by chemical ionization or by gas phase collisions, and of ions produced by desorption methods such as fast atom bombardment, can be also evaluated. Thermal extrapolation is especially useful for ion-molecule reaction products and for biological ions, where other methods to evaluate internal energies are laborious or unavailable.

30 CFR 585.307 - How will BOEM determine whether competitive interest exists for ROW grants and RUE grants?

Code of Federal Regulations, 2013 CFR

2013-07-01

... ENERGY MANAGEMENT, DEPARTMENT OF THE INTERIOR OFFSHORE RENEWABLE ENERGY AND ALTERNATE USES OF EXISTING... Renewable Energy Activities Obtaining Row Grants and Rue Grants § 585.307 How will BOEM determine whether... interest: (a) We will publish a public notice, describing the parameters of the project, to give affected...

THE ENVIRONMENT AND DISTRIBUTION OF EMITTING ELECTRONS AS A FUNCTION OF SOURCE ACTIVITY IN MARKARIAN 421

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

Mankuzhiyil, Nijil; Ansoldi, Stefano; Persic, Massimo

2011-05-20

For the high-frequency-peaked BL Lac object Mrk 421, we study the variation of the spectral energy distribution (SED) as a function of source activity, from quiescent to active. We use a fully automatized {chi}{sup 2}-minimization procedure, instead of the 'eyeball' procedure more commonly used in the literature, to model nine SED data sets with a one-zone synchrotron self-Compton (SSC) model and examine how the model parameters vary with source activity. The latter issue can finally be addressed now, because simultaneous broadband SEDs (spanning from optical to very high energy photon) have finally become available. Our results suggest that in Mrkmore » 421 the magnetic field (B) decreases with source activity, whereas the electron spectrum's break energy ({gamma}{sub br}) and the Doppler factor ({delta}) increase-the other SSC parameters turn out to be uncorrelated with source activity. In the SSC framework, these results are interpreted in a picture where the synchrotron power and peak frequency remain constant with varying source activity, through a combination of decreasing magnetic field and increasing number density of {gamma} {<=} {gamma}{sub br} electrons: since this leads to an increased electron-photon scattering efficiency, the resulting Compton power increases, and so does the total (= synchrotron plus Compton) emission.« less

Complex assessment of urban housing energy sustainability

NASA Astrophysics Data System (ADS)

Popova, Olga; Glebova, Julia; Karakozova, Irina

2018-03-01

The article presents the results of a complex experimental-analytical research of residential development energy parameters - survey of construction sites and determination of calculated energy parameters (resistance to heat transfer) considering their technical condition. The authors suggest a methodology for assessing residential development energy parameters on the basis of construction project's structural analysis with the use of advanced intelligent collection systems, processing (self-organizing maps - SOM) and data visualization (geo-informational systems - GIS). SOM clustering permitted to divide the housing stock (on the example of Arkhangelsk city) into groups with similar technical-operational and energy parameters. It is also possible to measure energy parameters of construction project of each cluster by comparing them with reference (normative) measures and also with each other. The authors propose mechanisms for increasing the area's energy stability level by implementing a set of reproduction activities for residential development of various groups. The analysis showed that modern multilevel and high-rise construction buildings have the least heat losses. At present, however, ow-rise wood buildings is the dominant styles of buildings of Arkhangelsk city. Data visualisation on the created heat map showed that such housing stock covers the largest urban area. The development strategies for depressed areas is in a high-rise building, which show the economic, social and environmental benefits of upward growth of the city. An urban regeneration programme for severely rundown urban housing estates is in a high-rise construction building, which show the economic, social and environmental benefits of upward growth of the city.

Membrane hydraulic permeability changes during cooling of mammalian cells.

PubMed

Akhoondi, Maryam; Oldenhof, Harriëtte; Stoll, Christoph; Sieme, Harald; Wolkers, Willem F

2011-03-01

In order to predict optimal cooling rates for cryopreservation of cells, the cell-specific membrane hydraulic permeability and corresponding activation energy for water transport need to be experimentally determined. These parameters should preferably be determined at subzero temperatures in the presence of ice. There is, however, a lack of methods to study membrane properties of cells in the presence of ice. We have used Fourier transform infrared spectroscopy to study freezing-induced membrane dehydration of mouse embryonic fibroblast (3T3) cells and derived the subzero membrane hydraulic permeability and the activation energy for water transport from these data. Coulter counter measurements were used to determine the suprazero membrane hydraulic permeability parameters from cellular volume changes of cells exposed to osmotic stress. The activation energy for water transport in the ice phase is about three fold greater compared to that at suprazero temperatures. The membrane hydraulic permeability at 0 °C that was extrapolated from suprazero measurements is about five fold greater compared to that extrapolated from subzero measurements. This difference is likely due to a freezing-induced dehydration of the bound water around the phospholipid head groups. Using Fourier transform infrared spectroscopy, two distinct water transport processes, that of free and membrane bound water, can be identified during freezing with distinct activation energies. Dimethylsulfoxide, a widely used cryoprotective agent, did not prevent freezing-induced membrane dehydration but decreased the activation energy for water transport. Copyright © 2010 Elsevier B.V. All rights reserved.

Gold nanoparticles alter parameters of oxidative stress and energy metabolism in organs of adult rats.

PubMed

Ferreira, Gabriela Kozuchovski; Cardoso, Eria; Vuolo, Francieli Silva; Michels, Monique; Zanoni, Elton Torres; Carvalho-Silva, Milena; Gomes, Lara Mezari; Dal-Pizzol, Felipe; Rezin, Gislaine Tezza; Streck, Emilio L; Paula, Marcos Marques da Silva

2015-12-01

This study evaluated the parameters of oxidative stress and energy metabolism after the acute and long-term administration of gold nanoparticles (GNPs, 10 and 30 nm in diameter) in different organs of rats. Adult male Wistar rats received a single intraperitoneal injection or repeated injections (once daily for 28 days) of saline solution, GNPs-10 or GNPs-30. Twenty-four hours after the last administration, the animals were killed, and the liver, kidney, and heart were isolated for biochemical analysis. We demonstrated that acute administration of GNPs-30 increased the TBARS levels, and that GNPs-10 increased the carbonyl protein levels. The long-term administration of GNPs-10 increased the TBARS levels, and the carbonyl protein levels were increased by GNPs-30. Acute administration of GNPs-10 and GNPs-30 increased SOD activity. Long-term administration of GNPs-30 increased SOD activity. Acute administration of GNPs-10 decreased the activity of CAT, whereas long-term administration of GNP-10 and GNP-30 altered CAT activity randomly. Our results also demonstrated that acute GNPs-30 administration decreased energy metabolism, especially in the liver and heart. Long-term GNPs-10 administration increased energy metabolism in the liver and decreased energy metabolism in the kidney and heart, whereas long-term GNPs-30 administration increased energy metabolism in the heart. The results of our study are consistent with other studies conducted in our research group and reinforce the fact that GNPs can lead to oxidative damage, which is responsible for DNA damage and alterations in energy metabolism.

Optimal design and control of an electromechanical transfemoral prosthesis with energy regeneration.

PubMed

Rohani, Farbod; Richter, Hanz; van den Bogert, Antonie J

2017-01-01

In this paper, we present the design of an electromechanical above-knee active prosthesis with energy storage and regeneration. The system consists of geared knee and ankle motors, parallel springs for each motor, an ultracapacitor, and controllable four-quadrant power converters. The goal is to maximize the performance of the system by finding optimal controls and design parameters. A model of the system dynamics was developed, and used to solve a combined trajectory and design optimization problem. The objectives of the optimization were to minimize tracking error relative to human joint motions, as well as energy use. The optimization problem was solved by the method of direct collocation, based on joint torque and joint angle data from ten subjects walking at three speeds. After optimization of controls and design parameters, the simulated system could operate at zero energy cost while still closely emulating able-bodied gait. This was achieved by controlled energy transfer between knee and ankle, and by controlled storage and release of energy throughout the gait cycle. Optimal gear ratios and spring parameters were similar across subjects and walking speeds.

Use of asymptotic analysis of the large activation-energy limit to compare graphical methods of treating thermogravimetry data

Treesearch

A. Broido; F.A. Williams

1973-01-01

An earIier numerical analysis showed that the second approximate method of Horotitz and Metzger can be rendered exceedingly accurate for reduction of thermo-gravimetry data. It is demonstrated here that this result can be justified on the basis of an asymptotic expansion with a nondimensional activation energy as the large parameter. The order of magnitude of the error...

The Kinetics of Heterogeneous Electron Transfer Reactions in Polar Solvents

DTIC Science & Technology

1994-04-20

focussed on systems for which rate constants and activation parameters are available as a function of the solvent, and as a function of temperature . The... temperature . The role of reactant structure in determining the kinetic parameters is also considered. Double layer effects both at unmodified and...that the Gibbs activation energy to form a monovalent cation from a neutral molecule via electrooxidation is different from that to form a monovalent

Remote Determination of Auroral Energy Characteristics During Substorm Activity

NASA Technical Reports Server (NTRS)

Germany, G. A.; Parks, G. K.; Brittnacher, M. J.; Cumnock, J.; Lummerzheim, D.; Spann, J. F., Jr.

1997-01-01

Ultraviolet auroral images from the Ultraviolet Imager onboard the POLAR satellite can be used as quantitative remote diagnostics of the auroral regions, yielding estimates of incident energy characteristics, compositional changes, and other higher order data products. In particular, images of long and short wavelength N2 Lyman-Birge-Hopfield (LBH) emissions can be modeled to obtain functions of energy flux and average energy that are basically insensitive to changes in seasonal and solar activity changes. This technique is used in this study to estimate incident electron energy flux and average energy during substorm activity occurring on May 19, 1996. This event was simultaneously observed by WIND, GEOTAIL, INTERBALL, DMSP and NOAA spacecraft as well as by POLAR. Here incident energy estimates derived from Ultraviolet Imager (UVI) are compared with in situ measurements of the same parameters from an overflight by the DMSP F12 satellite coincident with the UVI image times.

A systemic approach to explore the flexibility of energy stores at the cellular scale: Examples from muscle cells.

PubMed

Taghipoor, Masoomeh; van Milgen, Jaap; Gondret, Florence

2016-09-07

Variations in energy storage and expenditure are key elements for animals adaptation to rapidly changing environments. Because of the multiplicity of metabolic pathways, metabolic crossroads and interactions between anabolic and catabolic processes within and between different cells, the flexibility of energy stores in animal cells is difficult to describe by simple verbal, textual or graphic terms. We propose a mathematical model to study the influence of internal and external challenges on the dynamic behavior of energy stores and its consequence on cell energy status. The role of the flexibility of energy stores on the energy equilibrium at the cellular level is illustrated through three case studies: variation in eating frequency (i.e., glucose input), level of physical activity (i.e., ATP requirement), and changes in cell characteristics (i.e., maximum capacity of glycogen storage). Sensitivity analysis has been performed to highlight the most relevant parameters of the model; model simulations have then been performed to illustrate how variation in these key parameters affects cellular energy balance. According to this analysis, glycogen maximum accumulation capacity and homeostatic energy demand are among the most important parameters regulating muscle cell metabolism to ensure its energy equilibrium. Copyright © 2016 Elsevier Ltd. All rights reserved.

Bypass apparatus and method for series connected energy storage devices

DOEpatents

Rouillard, Jean; Comte, Christophe; Daigle, Dominik

2000-01-01

A bypass apparatus and method for series connected energy storage devices. Each of the energy storage devices coupled to a common series connection has an associated bypass unit connected thereto in parallel. A current bypass unit includes a sensor which is coupled in parallel with an associated energy storage device or cell and senses an energy parameter indicative of an energy state of the cell, such as cell voltage. A bypass switch is coupled in parallel with the energy storage cell and operable between a non-activated state and an activated state. The bypass switch, when in the non-activated state, is substantially non-conductive with respect to current passing through the energy storage cell and, when in the activated state, provides a bypass current path for passing current to the series connection so as to bypass the associated cell. A controller controls activation of the bypass switch in response to the voltage of the cell deviating from a pre-established voltage setpoint. The controller may be included within the bypass unit or be disposed on a control platform external to the bypass unit. The bypass switch may, when activated, establish a permanent or a temporary bypass current path.

Clarifications regarding the use of model-fitting methods of kinetic analysis for determining the activation energy from a single non-isothermal curve.

PubMed

Sánchez-Jiménez, Pedro E; Pérez-Maqueda, Luis A; Perejón, Antonio; Criado, José M

2013-02-05

This paper provides some clarifications regarding the use of model-fitting methods of kinetic analysis for estimating the activation energy of a process, in response to some results recently published in Chemistry Central journal. The model fitting methods of Arrhenius and Savata are used to determine the activation energy of a single simulated curve. It is shown that most kinetic models correctly fit the data, each providing a different value for the activation energy. Therefore it is not really possible to determine the correct activation energy from a single non-isothermal curve. On the other hand, when a set of curves are recorded under different heating schedules are used, the correct kinetic parameters can be clearly discerned. Here, it is shown that the activation energy and the kinetic model cannot be unambiguously determined from a single experimental curve recorded under non isothermal conditions. Thus, the use of a set of curves recorded under different heating schedules is mandatory if model-fitting methods are employed.

Influence of lasing parameters on the cleaning efficacy of laser-activated irrigation with pulsed erbium lasers.

PubMed

Meire, Maarten A; Havelaerts, Sophie; De Moor, Roeland J

2016-05-01

Laser-activated irrigation (LAI) using erbium lasers is an irrigant agitation technique with great potential for improved cleaning of the root canal system, as shown in many in vitro studies. However, lasing parameters for LAI vary considerably and their influence remains unclear. Therefore, this study sought to investigate the influence of pulse energy, pulse frequency, pulse length, irradiation time and fibre tip shape, position and diameter on the cleaning efficacy of LAI. Transparent resin blocks containing standardized root canals (apical diameter of 0.4 mm, 6% taper, 15 mm long, with a coronal reservoir) were used as the test model. A standardized groove in the apical part of each canal wall was packed with stained dentin debris. The canals were filled with irrigant, which was activated by an erbium: yttrium aluminium garnet (Er:YAG) laser (2940 nm, AT Fidelis, Fotona, Ljubljana, Slovenia). In each experiment, one laser parameter was varied, while the others remained constant. In this way, the influence of pulse energy (10-40 mJ), pulse length (50-1000 μs), frequency (5-30 Hz), irradiation time (5-40 s) and fibre tip shape (flat or conical), position (pulp chamber, canal entrance, next to groove) and diameter (300-600 μm) was determined by treating 20 canals per parameter. The amount of debris remaining in the groove after each LAI procedure was scored and compared among the different treatments. The parameters significantly (P < 0.05, Kruskal-Wallis) affecting debris removal from the groove were fibre tip position, pulse length, pulse energy, irradiation time and frequency. Fibre tip shape and diameter had no significant influence on the cleaning efficacy.

MBSSAS: A code for the computation of margules parameters and equilibrium relations in binary solid-solution aqueous-solution systems

USGS Publications Warehouse

Glynn, P.D.

1991-01-01

The computer code MBSSAS uses two-parameter Margules-type excess-free-energy of mixing equations to calculate thermodynamic equilibrium, pure-phase saturation, and stoichiometric saturation states in binary solid-solution aqueous-solution (SSAS) systems. Lippmann phase diagrams, Roozeboom diagrams, and distribution-coefficient diagrams can be constructed from the output data files, and also can be displayed by MBSSAS (on IBM-PC compatible computers). MBSSAS also will calculate accessory information, such as the location of miscibility gaps, spinodal gaps, critical-mixing points, alyotropic extrema, Henry's law solid-phase activity coefficients, and limiting distribution coefficients. Alternatively, MBSSAS can use such information (instead of the Margules, Guggenheim, or Thompson and Waldbaum excess-free-energy parameters) to calculate the appropriate excess-free-energy of mixing equation for any given SSAS system. ?? 1991.

PIP-II Injector Test’s Low Energy Beam Transport: Commissioning and Selected Measurements

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

Shemyakin, A.; Alvarez, M.; Andrews, R.

2016-09-16

The PIP2IT test accelerator is under construction at Fermilab. Its ion source and Low Energy Beam Transport (LEBT) in its initial (straight) configuration have been commissioned to full specification parameters. This paper introduces the LEBT design and summarizes the outcome of the commissioning activities.

Modeling of the phase equilibria of polystyrene in methylcyclohexane with semi-empirical quantum mechanical methods I.

PubMed

Wilczura-Wachnik, Hanna; Jónsdóttir, Svava Osk

2003-04-01

A method for calculating interaction parameters traditionally used in phase-equilibrium computations in low-molecular systems has been extended for the prediction of solvent activities of aromatic polymer solutions (polystyrene+methylcyclohexane). Using ethylbenzene as a model compound for the repeating unit of the polymer, the intermolecular interaction energies between the solvent molecule and the polymer were simulated. The semiempirical quantum chemical method AM1, and a method for sampling relevant internal orientations for a pair of molecules developed previously were used. Interaction energies are determined for three molecular pairs, the solvent and the model molecule, two solvent molecules and two model molecules, and used to calculated UNIQUAC interaction parameters, a(ij) and a(ji). Using these parameters, the solvent activities of the polystyrene 90,000 amu+methylcyclohexane system, and the total vapor pressures of the methylcyclohexane+ethylbenzene system were calculated. The latter system was compared to experimental data, giving qualitative agreement. Figure Solvent activities for the methylcylcohexane(1)+polystyrene(2) system at 316 K. Parameters aij (blue line) obtained with the AM1 method; parameters aij (pink line) from VLE data for the ethylbenzene+methylcyclohexane system. The abscissa is the polymer weight fraction defined as y2(x1)=(1mx1)M2/[x1M1+(1mx1)M2], where x1 is the solvent mole fraction and Mi are the molecular weights of the components.

Enhancing hair follicle regeneration by nonablative fractional laser: Assessment of irradiation parameters and tissue response.

PubMed

Wu, Yueh-Feng; Wang, Shiou-Han; Wu, Pei-Shan; Fan, Sabrina Mai-Yi; Chiu, Hsien-Yi; Tsai, Tsung-Hua; Lin, Sung-Jan

2015-04-01

Identification of methods to enhance anagen entry can be helpful for alopecia. Recently, nonablative laser has been proposed as a potential treatment for alopecia. However, how the laser parameters affect stem cell activity, hair cycles and the associated side effects have not been well characterized. Here we examine the effects of irradiation parameters of 1,550-nm fractional laser on hair cycles. The dorsal skin of eight-week-old female C57BL/6 mice with hair follicles in synchronized telogen was shaved and irradiated with a 1,550-nm fractional erbium-glass laser (Fraxel RE:STORE (SR1500) Laser System, Solta Medical, U.S.A.) with varied beam energies (5-35 mJ) and beam densities (500-3500 microthermal zones/cm(2) ). The cutaneous changes were evaluated both grossly and histologically. Hair follicle stem cell activity was detected by BrdU incorporation and changes in gene expression were quantified by real-time PCR. Direct thermal injury to hair follicles could be observed early after irradiation, especially at higher beam energy. Anagen induction in the irradiated skin showed an all-or-non change. Anagen induction and ulcer formation were affected by the combination of beam energy and density. The lowest beam energy of 5 mJ failed to promote anagen entry at all beam densities tested. As beam energy increased from 10 mJ to 35 mJ, we found a decreasing trend of beam density that could induce anagen entry within 7-9 days with activation of hair follicle stem cells. Beam density above the pro-regeneration density could lead to ulcers and scarring followed by anagen entry in adjacent skin. Analysis of inflammatory cytokines, including TNF-α, IL-1β, and IL-6, revealed that transient moderate inflammation was associated with anagen induction and intense prolonged inflammation preceded ulcer formation. To avoid side effects of hair follicle injury and scarring, appropriate combination of beam energy and density is required. Parameters outside the therapeutic window can result in either no anagen promotion or ulcer formation. © 2015 Wiley Periodicals, Inc.

Kinetic study of solid waste pyrolysis using distributed activation energy model.

PubMed

Bhavanam, Anjireddy; Sastry, R C

2015-02-01

The pyrolysis characteristics of municipal solid waste, agricultural residues such as ground nut shell, cotton husk and their blends are investigated using non-isothermal thermogravimetric analysis (TGA) with in a temperature range of 30-900 °C at different heating rates of 10 °C, 30 °C and 50 °C/min in inert atmosphere. From the thermograms obtained from TGA, it is observed that the maximum rate of degradation occurred in the second stage of the pyrolysis process for all the solid wastes. The distributed activation energy model (DAEM) is used to study the pyrolysis kinetics of the solid wastes. The kinetic parameters E (activation energy), k0 (frequency factor) are calculated from this model. It is found that the range of activation energies for agricultural residues are lower than the municipal solid waste. The activation energies for the municipal solid waste pyrolysis process drastically decreased with addition of agricultural residues. The proposed DAEM is successfully validated with TGA experimental data. Copyright © 2014 Elsevier Ltd. All rights reserved.

Nanoscale measurements of phosphorous-induced lattice expansion in nanosecond laser annealed germanium

NASA Astrophysics Data System (ADS)

Boninelli, S.; Milazzo, R.; Carles, R.; Houdellier, F.; Duffy, R.; Huet, K.; La Magna, A.; Napolitani, E.; Cristiano, F.

2018-05-01

Laser Thermal Annealing (LTA) at various energy densities was used to recrystallize and activate amorphized germanium doped with phosphorous by ion implantation. The structural modifications induced during the recrystallization and the related dopant diffusion were first investigated. After LTA at low energy densities, the P electrical activation was poor while the dopant distribution was mainly localized in the polycrystalline Ge resulting from the anneal. Conversely, full dopant activation (up to 1 × 1020 cm-3) in a perfectly recrystallized material was observed after annealing at higher energy densities. Measurements of lattice parameters performed on the fully activated structures show that P doping results in a lattice expansion, with a perpendicular lattice strain per atom βPs = +0.7 ± 0.1 Å3. This clearly indicates that, despite the small atomic radius of P compared to Ge, the "electronic contribution" to the lattice parameter modification (due to the increased hydrostatic deformation potential in the conduction band of P doped Ge) is larger than the "size mismatch contribution" associated with the atomic radii. Such behavior, predicted by theory, is observed experimentally for the first time, thanks to the high sensitivity of the measurement techniques used in this work.

[Correlation between the microbiological (S. aureus) and seismic activities with regard to the sun-earth interactions and neutron flux generation].

PubMed

Shestopalov, I P; Rogozhin, Iu A

2005-01-01

The study searched for interactions between the solar activity, seismic energy of the Earth and microbiological processes in the period from 1969 to 1997. Microbiological processes were found dependent on as the solar, so intraterrestrial (e.g. seismic) activity. The 11-year seismic on biological cycles on Earth display a positive inter-correlation and a negative one with the solar activity (sun-spots cycles). There is also correlation between the Earth's seismic energy and neutron fluxes generated at the times of earthquakes on our planet, and microbiological parameters.

Energy structure of MHD flow coupling with outer resistance circuit

NASA Astrophysics Data System (ADS)

Huang, Z. Y.; Liu, Y. J.; Chen, Y. Q.; Peng, Z. L.

2015-08-01

Energy structure of MHD flow coupling with outer resistance circuit is studied to illuminate qualitatively and quantitatively the energy relation of this basic MHD flow system with energy input and output. Energy structure are analytically derived based on the Navier-Stocks equations for two-dimensional fully-developed flow and generalized Ohm's Law. The influences of applied magnetic field, Hall parameter and conductivity on energy structure are discussed based on the analytical results. Associated energies in MHD flow are deduced and validated by energy conservation. These results reveal that energy structure consists of two sub structures: electrical energy structure and internal energy structure. Energy structure and its sub structures provide an integrated theoretical energy path of the MHD system. Applied magnetic field and conductivity decrease the input energy, dissipation by fluid viscosity and internal energy but increase the ratio of electrical energy to input energy, while Hall parameter has the opposite effects. These are caused by their different effects on Bulk velocity, velocity profiles, voltage and current in outer circuit. Understanding energy structure helps MHD application designers to actively adjust the allocation of different parts of energy so that it is more reasonable and desirable.

A kinetic and thermochemical database for organic sulfur and oxygen compounds.

PubMed

Class, Caleb A; Aguilera-Iparraguirre, Jorge; Green, William H

2015-05-28

Potential energy surfaces and reaction kinetics were calculated for 40 reactions involving sulfur and oxygen. This includes 11 H2O addition, 8 H2S addition, 11 hydrogen abstraction, 7 beta scission, and 3 elementary tautomerization reactions, which are potentially relevant in the combustion and desulfurization of sulfur compounds found in various fuel sources. Geometry optimizations and frequencies were calculated for reactants and transition states using B3LYP/CBSB7, and potential energies were calculated using CBS-QB3 and CCSD(T)-F12a/VTZ-F12. Rate coefficients were calculated using conventional transition state theory, with corrections for internal rotations and tunneling. Additionally, thermochemical parameters were calculated for each of the compounds involved in these reactions. With few exceptions, rate parameters calculated using the two potential energy methods agreed reasonably, with calculated activation energies differing by less than 5 kJ mol(-1). The computed rate coefficients and thermochemical parameters are expected to be useful for kinetic modeling.

Numerical Simulations of Flare-productive Active Regions: δ-sunspots, Sheared Polarity Inversion Lines, Energy Storage, and Predictions

NASA Astrophysics Data System (ADS)

Toriumi, Shin; Takasao, Shinsuke

2017-11-01

Solar active regions (ARs) that produce strong flares and coronal mass ejections (CMEs) are known to have a relatively high non-potentiality and are characterized by δ-sunspots and sheared magnetic structures. In this study, we conduct a series of flux emergence simulations from the convection zone to the corona and model four types of active regions that have been observationally suggested to cause strong flares, namely the spot-spot, spot-satellite, quadrupole, and inter-AR cases. As a result, we confirm that δ-spot formation is due to the complex geometry and interaction of emerging magnetic fields, and we find that the strong-field, high-gradient, highly sheared polarity inversion line (PIL) is created by the combined effect of the advection, stretching, and compression of magnetic fields. We show that free magnetic energy builds up in the form of a current sheet above the PIL. It is also revealed that photospheric magnetic parameters that predict flare eruptions reflect the stored free energy with high accuracy, while CME-predicting parameters indicate the magnetic relationship between flaring zones and entire ARs.

Influence of Polarity and Activation Energy in Microwave–Assisted Organic Synthesis (MAOS)

PubMed Central

Rodríguez, Antonio M; Prieto, Pilar; de la Hoz, Antonio; Díaz-Ortiz, Ángel; Martín, D Raúl; García, José I

2015-01-01

The aim of this work was to determine the parameters that have decisive roles in microwave-assisted reactions and to develop a model, using computational chemistry, to predict a priori the type of reactions that can be improved under microwaves. For this purpose, a computational study was carried out on a variety of reactions, which have been reported to be improved under microwave irradiation. This comprises six types of reactions. The outcomes obtained in this study indicate that the most influential parameters are activation energy, enthalpy, and the polarity of all the species that participate. In addition to this, in most cases, slower reacting systems observe a much greater improvement under microwave irradiation. Furthermore, for these reactions, the presence of a polar component in the reaction (solvent, reagent, susceptor, etc.) is necessary for strong coupling with the electromagnetic radiation. We also quantified that an activation energy of 20–30 kcal mol−1 and a polarity (μ) between 7–20 D of the species involved in the process is required to obtain significant improvements under microwave irradiation. PMID:26246993

The kinetic analysis of the pyrolysis of agricultural residue under non-isothermal conditions.

PubMed

Gai, Chao; Dong, Yuping; Zhang, Tonghui

2013-01-01

The study concerns the pyrolysis kinetics of agricultural wastes, corn straw (CS) and rice husk (RH). Thermogravimetric experiments were carried out in a thermogravimetric analyzer under inert conditions, and operated at different heating rates ranging from 5 to 40K/min. As the increment of heating rates, the variations of characteristic parameters from the TG-DTG curves were determined. Iso-conversional Starink approach and Avrami theory were used to evaluate the kinetic parameters, including apparent activation energy and reaction order. For the range of conversion fraction investigated (20-80%), the apparent activation energy of CS initially increased from 98.715 to 148.062 kJ/mol and then decreased to 144.387 kJ/mol afterwards, whilst the apparent activation energy of RH increased gradually from 50.492 to 88.994 kJ/mol. With varied temperatures (517-697 K), the corresponding value of reaction order was increased from 0.288 and 0.359 to 0.441 and 0.692, along with a decrease to 0.306 and 0.445, respectively. Copyright © 2012 Elsevier Ltd. All rights reserved.

EMITTING ELECTRONS AND SOURCE ACTIVITY IN MARKARIAN 501

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

Mankuzhiyil, Nijil; Ansoldi, Stefano; Persic, Massimo

2012-07-10

We study the variation of the broadband spectral energy distribution (SED) of the BL Lac object Mrk 501 as a function of source activity, from quiescent to flaring. Through {chi}{sup 2}-minimization we model eight simultaneous SED data sets with a one-zone synchrotron self-Compton (SSC) model, and examine how model parameters vary with source activity. The emerging variability pattern of Mrk 501 is complex, with the Compton component arising from {gamma}-e scatterings that sometimes are (mostly) Thomson and sometimes (mostly) extreme Klein-Nishina. This can be seen from the variation of the Compton to synchrotron peak distance according to source state. Themore » underlying electron spectra are faint/soft in quiescent states and bright/hard in flaring states. A comparison with Mrk 421 suggests that the typical values of the SSC parameters are different in the two sources: however, in both jets the energy density is particle-dominated in all states.« less

Protein energy malnutrition in severe alcoholic hepatitis: diagnosis and response to treatment. The VA Cooperative Study Group #275.

PubMed

Mendenhall, C L; Moritz, T E; Roselle, G A; Morgan, T R; Nemchausky, B A; Tamburro, C H; Schiff, E R; McClain, C J; Marsano, L S; Allen, J I

1995-01-01

Active nutrition therapy and the anabolic steroid oxandrolone (OX), in selected patients with severe alcoholic hepatitis, significantly improved liver status and survival. We report here on the changes in their nutritional parameters. Protein energy malnutrition (PEM) was evaluated and expressed as percent of low normal in 271 patients initially, at 1 month and at 3 months. Active therapy consisted of OX plus a high caloric food supplement vs a matching placebo and a low calorie supplement. PEM was present in every patient; mean PEM score 60% of low normal. Most of the parameters improved significantly from baseline on standard care; the largest improvement seen in visceral proteins, the smallest in fat stores (skinfold thickness). Total PEM score significantly correlated with 6 month mortality (p = .0012). Using logistic regression analysis, creatinine height index, hand grip strength and total peripheral blood lymphocytes were the best risk factors for survival. When CD lymphocyte subsets replaced total lymphocyte counts in the equation, CD8 levels became a significant risk factor (p = .004). Active treatment produced significant risk factor (p = .004). Active treatment produced significant improvements in those parameters related to total body and muscle mass (ie, mid arm muscle area, p = .02; creatinine height index, p = .03; percent ideal body weight, p = .04). Deterioration in nutritional parameters is a significant risk factor for survival in severe patients with alcoholic hepatitis. This deterioration is reversible with standard hospital care. Active therapy further improves creatinine height index, mid arm muscle area and total lymphocyte counts. Hence, these later parameters appear to be the best indicators for follow-up assessments.

Self-powered suspension criterion and energy regeneration implementation scheme of motor-driven active suspension

NASA Astrophysics Data System (ADS)

Yan, Shuai; Sun, Weichao

2017-09-01

Active suspension systems have advantages on mitigating the effects of vehicle vibration caused by road roughness, which are one of the most important component parts in influencing the performances of vehicles. However, high amount of energy consumption restricts the application of active suspension systems. From the point of energy saving, this paper presents a self-powered criterion of the active suspension system to judge whether a motor-driven suspension can be self-powered or not, and then a motor parameter condition is developed as a reference to design a self-powered suspension. An energy regeneration implementation scheme is subsequently proposed to make the active suspension which has the potential to be self-powered achieve energy-saving target in the real application. In this implementation scheme, operating electric circuits are designed based on different working status of the actuator and power source and it is realizable to accumulate energy from road vibration and supply energy to the actuator by switching corresponding electric circuits. To apply the self-powered suspension criterion and energy regeneration implementation scheme, an active suspension system is designed with a constrained H∞ controller and calculation results indicate that it has the capability to be self-powered. Simulation results show that the performances of the self-powered active suspension are nearly the same as those of the active suspension with an external energy source and can achieve energy regeneration at the same time.

Determination of Kinetic and Thermodynamic Parameters that Describe Isothermal Seed Germination: A Student Research Project.

ERIC Educational Resources Information Center

Hageseth, Gaylord T.

1982-01-01

Describes a project for students to collect and fit data to a theoretical mathematical model that describes the rate of isothermal seed germination, including activation energy for substrate and produce and the autocatalytic reaction, and changes in enthalpy, entropy, and the Gibb's free energy. (Author/SK)

Temperature dependence of internal friction in enzyme reactions.

PubMed

Rauscher, Anna Á; Simon, Zoltán; Szöllosi, Gergely J; Gráf, László; Derényi, Imre; Malnasi-Csizmadia, Andras

2011-08-01

Our aim was to elucidate the physical background of internal friction of enzyme reactions by investigating the temperature dependence of internal viscosity. By rapid transient kinetic methods, we directly measured the rate constant of trypsin 4 activation, which is an interdomain conformational rearrangement, as a function of temperature and solvent viscosity. We found that the apparent internal viscosity shows an Arrhenius-like temperature dependence, which can be characterized by the activation energy of internal friction. Glycine and alanine mutations were introduced at a single position of the hinge of the interdomain region to evaluate how the flexibility of the hinge affects internal friction. We found that the apparent activation energies of the conformational change and the internal friction are interconvertible parameters depending on the protein flexibility. The more flexible a protein was, the greater proportion of the total activation energy of the reaction was observed as the apparent activation energy of internal friction. Based on the coupling of the internal and external movements of the protein during its conformational change, we constructed a model that quantitatively relates activation energy, internal friction, and protein flexibility.

Parameter identification of partially covered piezoelectric cantilever power scavenger based on the coupled distributed parameter solution

NASA Astrophysics Data System (ADS)

Hosseini; Hamedi; Ebrahimi Mamaghani; Kim; Kim; Dayou

2017-07-01

Among the various techniques of power scavenging, piezoelectric energy harvesting usually has more power density. Although piezoceramics are usually more efficient than other piezoelectric materials, since they are very brittle and fragile, researchers are looking for alternative materials. Recently Cellulose Electro-active paper (EAPap) has been recognized as a smart material with piezoelectric behavior that can be used in energy scavenging systems. The majority of researches in energy harvesting area, use unimorph piezoelectric cantilever beams. This paper presents an analytical solution based on distributed parameter model for partially covered pieoelectric cantilever energy harvester. The purpose of the paper is to describe the changes in generated power with damping and the load resistance using analytical calculations. The analytical data are verified using experiment on a vibrating cantilever substrate that is partially covered by EAPap films. The results are very close to each other. Also asymptotic trends of the voltage, current and power outputs are investigated and expressions are obtained for the extreme conditions of the load resistance. These new findings provide guidelines for identification and manipulation of effective parameters in order to achieve the efficient performance in different ambient source conditions.

Optimization of KOH etching parameters for quantitative defect recognition in n- and p-type doped SiC

NASA Astrophysics Data System (ADS)

Sakwe, S. A.; Müller, R.; Wellmann, P. J.

2006-04-01

We have developed a KOH-based defect etching procedure for silicon carbide (SiC), which comprises in situ temperature measurement and control of melt composition. As benefit for the first time reproducible etching conditions were established (calibration plot, etching rate versus temperature and time); the etching procedure is time independent, i.e. no altering in KOH melt composition takes place, and absolute melt temperature values can be set. The paper describes this advanced KOH etching furnace, including the development of a new temperature sensor resistant to molten KOH. We present updated, absolute KOH etching parameters of n-type SiC and new absolute KOH etching parameters for low and highly p-type doped SiC, which are used for quantitative defect analysis. As best defect etching recipes we found T=530 °C/5 min (activation energy: 16.4 kcal/mol) and T=500 °C/5 min (activation energy: 13.5 kcal/mol) for n-type and p-type SiC, respectively.

Kinetic Parameters for the Noncatalyzed and Enzyme-Catalyzed Mutarotation of Glucose Using a Blood Glucometer

ERIC Educational Resources Information Center

Hardee, John R.; Delgado, Bryan; Jones, Wray

2011-01-01

The kinetic parameters for the conversion of alpha-D-glucose to beta-D-glucose were measured using a blood glucometer. The reaction order, rate constant, and Arrhenius activation energy are reported for the noncatalyzed reaction and turnover number and Michaelis constant are reported for the reaction catalyzed by porcine kidney mutarotase. The…

Non-Isothermic Chemical Kinetics in the Undergraduate Laboratory: Arrhenius Parameters from Experiments with Hyperbolic Temperature Variation.

ERIC Educational Resources Information Center

Salvador, F.; And Others

1984-01-01

Describes a method which adapts itself to the characteristics of the kinetics of a chemical reaction in solution, enabling students to determine the Arrhenius parameters with satisfactory accuracy by means of a single non-isothermic experiment. Both activation energy and the preexponential factor values can be obtained by the method. (JN)

Mesoscale Thermodynamic Analysis of Atomic-Scale Dislocation-Obstacle Interactions Simulated by Molecular Dynamics

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

Monet, Giath; Bacon, David J; Osetskiy, Yury N

2010-01-01

Given the time and length scales in molecular dynamics (MD) simulations of dislocation-defect interactions, quantitative MD results cannot be used directly in larger scale simulations or compared directly with experiment. A method to extract fundamental quantities from MD simulations is proposed here. The first quantity is a critical stress defined to characterise the obstacle resistance. This mesoscopic parameter, rather than the obstacle 'strength' designed for a point obstacle, is to be used for an obstacle of finite size. At finite temperature, our analyses of MD simulations allow the activation energy to be determined as a function of temperature. The resultsmore » confirm the proportionality between activation energy and temperature that is frequently observed by experiment. By coupling the data for the activation energy and the critical stress as functions of temperature, we show how the activation energy can be deduced at a given value of the critical stress.« less

Theoretical study on the antitumor properties of Ru(II) complexes containing 2-pyridyl, 2-pyridine-4-carboxylic acid ligands

NASA Astrophysics Data System (ADS)

Erkan kariper, Sultan; Sayin, Koray; Karakaş, Duran

2017-12-01

[Ru(bipy)2(CppH)]2+(1), [Ru(bipy)2(Cpp-NH-Hex-COOH)]2+(2), [Ru(dppz)2(CppH)]2+(3) and [Ru(dppz)2(Cpp-NH-Hex-COOH)]2+(4) were calculated by Hartree-Fock (HF), Density Functional Theory (DFT) hybrid B3LYP and Moller-Plesset Perturbation (MPn n = 2,3) theory method and CEP-4G, CEP-31G, CEP-121G, LANL2DZ, LANL2MB, SDD basic sets and a mixed basic set with the keyword GEN in gas phase and water. Structure parameters obtained from optimized structures were compared with experimental parameters. M062X/(6-31G(d))(CEP-4G) level was taken into account for the most appropriate calculation level. IR, UV-VIS and NMR spectrums were examined for structural characterization. The optimal structure was identified via structure parameters, IR, UV-VIS and NMR spectrums. For the most compatible structure, the highest molecular orbital energy (EHOMO) which one of the most effective chemical determiners on the antitumor activity of the complexes, the lowest molecular orbital energy (ELUMO), LUMO-HOMO energy gap, hardness (η), softness (σ), electronegativity (χ), chemical potential (μ), electrophilicity index (ω), molar volume (V), dipole moment (DM), total negative charge (TNC), enthalpy (H), entropy (S) and total energy (E) were calculated. The causes of anticancer activity of the complexes have been studied.

Free energy landscape for the binding process of Huperzine A to acetylcholinesterase

PubMed Central

Bai, Fang; Xu, Yechun; Chen, Jing; Liu, Qiufeng; Gu, Junfeng; Wang, Xicheng; Ma, Jianpeng; Li, Honglin; Onuchic, José N.; Jiang, Hualiang

2013-01-01

Drug-target residence time (t = 1/koff, where koff is the dissociation rate constant) has become an important index in discovering better- or best-in-class drugs. However, little effort has been dedicated to developing computational methods that can accurately predict this kinetic parameter or related parameters, koff and activation free energy of dissociation (). In this paper, energy landscape theory that has been developed to understand protein folding and function is extended to develop a generally applicable computational framework that is able to construct a complete ligand-target binding free energy landscape. This enables both the binding affinity and the binding kinetics to be accurately estimated. We applied this method to simulate the binding event of the anti-Alzheimer’s disease drug (−)−Huperzine A to its target acetylcholinesterase (AChE). The computational results are in excellent agreement with our concurrent experimental measurements. All of the predicted values of binding free energy and activation free energies of association and dissociation deviate from the experimental data only by less than 1 kcal/mol. The method also provides atomic resolution information for the (−)−Huperzine A binding pathway, which may be useful in designing more potent AChE inhibitors. We expect this methodology to be widely applicable to drug discovery and development. PMID:23440190

Free energy landscape for the binding process of Huperzine A to acetylcholinesterase.

PubMed

Bai, Fang; Xu, Yechun; Chen, Jing; Liu, Qiufeng; Gu, Junfeng; Wang, Xicheng; Ma, Jianpeng; Li, Honglin; Onuchic, José N; Jiang, Hualiang

2013-03-12

Drug-target residence time (t = 1/k(off), where k(off) is the dissociation rate constant) has become an important index in discovering better- or best-in-class drugs. However, little effort has been dedicated to developing computational methods that can accurately predict this kinetic parameter or related parameters, k(off) and activation free energy of dissociation (ΔG(off)≠). In this paper, energy landscape theory that has been developed to understand protein folding and function is extended to develop a generally applicable computational framework that is able to construct a complete ligand-target binding free energy landscape. This enables both the binding affinity and the binding kinetics to be accurately estimated. We applied this method to simulate the binding event of the anti-Alzheimer's disease drug (-)-Huperzine A to its target acetylcholinesterase (AChE). The computational results are in excellent agreement with our concurrent experimental measurements. All of the predicted values of binding free energy and activation free energies of association and dissociation deviate from the experimental data only by less than 1 kcal/mol. The method also provides atomic resolution information for the (-)-Huperzine A binding pathway, which may be useful in designing more potent AChE inhibitors. We expect this methodology to be widely applicable to drug discovery and development.

A pocket-sized metabolic analyzer for assessment of resting energy expenditure.

PubMed

Zhao, Di; Xian, Xiaojun; Terrera, Mirna; Krishnan, Ranganath; Miller, Dylan; Bridgeman, Devon; Tao, Kevin; Zhang, Lihua; Tsow, Francis; Forzani, Erica S; Tao, Nongjian

2014-04-01

The assessment of metabolic parameters related to energy expenditure has a proven value for weight management; however these measurements remain too difficult and costly for monitoring individuals at home. The objective of this study is to evaluate the accuracy of a new pocket-sized metabolic analyzer device for assessing energy expenditure at rest (REE) and during sedentary activities (EE). The new device performs indirect calorimetry by measuring an individual's oxygen consumption (VO2) and carbon dioxide production (VCO2) rates, which allows the determination of resting- and sedentary activity-related energy expenditure. VO2 and VCO2 values of 17 volunteer adult subjects were measured during resting and sedentary activities in order to compare the metabolic analyzer with the Douglas bag method. The Douglas bag method is considered the Gold Standard method for indirect calorimetry. Metabolic parameters of VO2, VCO2, and energy expenditure were compared using linear regression analysis, paired t-tests, and Bland-Altman plots. Linear regression analysis of measured VO2 and VCO2 values, as well as calculated energy expenditure assessed with the new analyzer and Douglas bag method, had the following linear regression parameters (linear regression slope LRS0, and R-squared coefficient, r(2)) with p = 0: LRS0 (SD) = 1.00 (0.01), r(2) = 0.9933 for VO2; LRS0 (SD) = 1.00 (0.01), r(2) = 0.9929 for VCO2; and LRS0 (SD) = 1.00 (0.01), r(2) = 0.9942 for energy expenditure. In addition, results from paired t-tests did not show statistical significant difference between the methods with a significance level of α = 0.05 for VO2, VCO2, REE, and EE. Furthermore, the Bland-Altman plot for REE showed good agreement between methods with 100% of the results within ±2SD, which was equivalent to ≤10% error. The findings demonstrate that the new pocket-sized metabolic analyzer device is accurate for determining VO2, VCO2, and energy expenditure. Copyright © 2013 Elsevier Ltd and European Society for Clinical Nutrition and Metabolism. All rights reserved.

Energy dissipation in polymer-polymer adhesion contacts

NASA Astrophysics Data System (ADS)

Garif, Yev Skip

This study focuses on self-adhesion in elastomers as a way of approaching a broader polymer adhesion problem. The model systems studied are cross-linked acrylic pressure-sensitive adhesives (PSA-LNs) synthesized to attain four surface types: neutral, acidic, basic, and polar. As the study progressed, it distinguished itself as the first of its kind to consistently report the effect of temperature on measurable intrinsic parameters of polymer adhesion. The main goal of the study was to understand why the magnitude of the practical adhesion energies of the four PSA-LN systems tested varies disproportionately greater than their respective surface energies. To achieve this goal, continuous sweeps of adhesion energy as a function of rate of interfacial separation were performed using three different adhesion-probing techniques--- peel, micro-scratch, and normal contact. The answer was found in the sub-micron-per-second limit of separation rates. In approaching this limit, the power law behavior of adhesion gradually transitioned into a linear region of markedly weaker sensitivity to rate. Referred to as the "intrinsic window", this linear region was characterized by three parameters: (1) the intrinsic adhesion energy at zero rate of separation; (2) the intrinsic rate sensitivity equal to the proportionality constant of the linear fit; and (3) the critical separation rate in the middle of the transition to the power law. All three were found to be thermally activated. Activation energies suggested that interfacial processes are attributed mainly to dispersive and electrostatic molecular interactions such as hydrogen bonding or van der Waals attraction. Comparative analysis of the intrinsic window of the four PSA-LNs tested showed that an increase in the intrinsic adhesion energy associated with higher surface energy is inherently coupled with an increase in the intrinsic rate sensitivity and reduction in the critical separation rate. When combined, the three parameters reshape the intrinsic window such that the entire power-law portion of the adhesion response is shifted to a level that appears disproportionately high based on the false assumption that there is only one intrinsic parameter contributing to the shift. Thus, the goal of explaining this disproportionality was achieved.

Cosmological lepton asymmetry, primordial nucleosynthesis and sterile neutrinos

NASA Astrophysics Data System (ADS)

Abazajian, Kevork; Bell, Nicole F.; Fuller, George M.; Wong, Yvonne Y. Y.

2005-09-01

We study post weak decoupling coherent active-sterile and active-active matter-enhanced neutrino flavor transformation in the early Universe. We show that flavor conversion efficiency at Mikheyev-Smirnov-Wolfenstein resonances is likely to be high (adiabatic evolution) for relevant neutrino parameters and energies. However, we point out that these resonances cannot sweep smoothly and continuously with the expansion of the Universe. We show how neutrino flavor conversion in this way can leave both the active and sterile neutrinos with nonthermal energy spectra, and how, in turn, these distorted energy spectra can affect the neutron-to-proton ratio, primordial nucleosynthesis, and cosmological mass/closure constraints on sterile neutrinos. We demonstrate that the existence of a light sterile neutrino which mixes with active neutrinos can change fundamentally the relationship between the cosmological lepton numbers and the primordial nucleosynthesis He4 yield.

An analytical design approach for self-powered active lateral secondary suspensions for railway vehicles

NASA Astrophysics Data System (ADS)

Wang, Peng; Li, Hong; Zhang, Jiye; Mei, TX

2015-10-01

In this paper, an analytical design approach for the development of self-powered active suspensions is investigated and is applied to optimise the control system design for an active lateral secondary suspension for railway vehicles. The conditions for energy balance are analysed and the relationship between the ride quality improvement and energy consumption is discussed in detail. The modal skyhook control is applied to analyse the energy consumption of this suspension by separating its dynamics into the lateral and yaw modes, and based on a simplified model, the average power consumption of actuators is computed in frequency domain by using the power spectral density of lateral alignment of track irregularities. Then the impact of control gains and actuators' key parameters on the performance for both vibration suppressing and energy recovery/storage is analysed. Computer simulation is used to verify the obtained energy balance condition and to demonstrate that the improved ride comfort is achieved by this self-powered active suspension without any external power supply.

Thermodynamic Derivation of the Activation Energy for Ice Nucleation

NASA Technical Reports Server (NTRS)

Barahona, D.

2015-01-01

Cirrus clouds play a key role in the radiative and hydrological balance of the upper troposphere. Their correct representation in atmospheric models requires an understanding of the microscopic processes leading to ice nucleation. A key parameter in the theoretical description of ice nucleation is the activation energy, which controls the flux of water molecules from the bulk of the liquid to the solid during the early stages of ice formation. In most studies it is estimated by direct association with the bulk properties of water, typically viscosity and self-diffusivity. As the environment in the ice-liquid interface may differ from that of the bulk, this approach may introduce bias in calculated nucleation rates. In this work a theoretical model is proposed to describe the transfer of water molecules across the ice-liquid interface. Within this framework the activation energy naturally emerges from the combination of the energy required to break hydrogen bonds in the liquid, i.e., the bulk diffusion process, and the work dissipated from the molecular rearrangement of water molecules within the ice-liquid interface. The new expression is introduced into a generalized form of classical nucleation theory. Even though no nucleation rate measurements are used to fit any of the parameters of the theory the predicted nucleation rate is in good agreement with experimental results, even at temperature as low as 190 K, where it tends to be underestimated by most models. It is shown that the activation energy has a strong dependency on temperature and a weak dependency on water activity. Such dependencies are masked by thermodynamic effects at temperatures typical of homogeneous freezing of cloud droplets; however, they may affect the formation of ice in haze aerosol particles. The new model provides an independent estimation of the activation energy and the homogeneous ice nucleation rate, and it may help to improve the interpretation of experimental results and the development of parameterizations for cloud formation.

New type of synchronization of oscillators with hard excitation

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

Kovaleva, M. A., E-mail: margo.kovaleva@gmail.com; Manevich, L. I., E-mail: manevichleonid3@gmail.com; Pilipchuk, V. N.

2013-08-15

It is shown that stable limiting cycles corresponding to nonlinear beats with complete energy exchange between oscillators can exist in a system of two weakly coupled active oscillators (generators). The oscillatory regime of this type, which implements a new type of synchronization in an active system, is an alternative to the well-studied synchronization in a regime close to a nonlinear normal mode. In this case, the ranges of dissipative parameters corresponding to different types of synchronization do not intersect. The analytic description of attractors revealed in analysis is based on the concept of limiting phase trajectories, which was developed earliermore » by one of the authors for conservative systems. A transition (in the parametric space) from the complete energy exchange between oscillators to predominant localization of energy in one of the oscillators can be naturally described using this concept. The localized normal mode is an attractor in the range of parameters in which neither the limiting phase trajectory nor any of the collective normal modes is an attractor.« less

Improved model of activation energy absorption for different electrical breakdowns in semi-crystalline insulating polymers

NASA Astrophysics Data System (ADS)

Sima, Wenxia; Jiang, Xiongwei; Peng, Qingjun; Sun, Potao

2018-05-01

Electrical breakdown is an important physical phenomenon in electrical equipment and electronic devices. Many related models and theories of electrical breakdown have been proposed. However, a widely recognized understanding on the following phenomenon is still lacking: impulse breakdown strength which varies with waveform parameters, decrease in the breakdown strength of AC voltage with increasing frequency, and higher impulse breakdown strength than that of AC. In this work, an improved model of activation energy absorption for different electrical breakdowns in semi-crystalline insulating polymers is proposed based on the Harmonic oscillator model. Simulation and experimental results show that, the energy of trapped charges obtained from AC stress is higher than that of impulse voltage, and the absorbed activation energy increases with the increase in the electric field frequency. Meanwhile, the frequency-dependent relative dielectric constant ε r and dielectric loss tanδ also affect the absorption of activation energy. The absorbed activation energy and modified trap level synergistically determine the breakdown strength. The mechanism analysis of breakdown strength under various voltage waveforms is consistent with the experimental results. Therefore, the proposed model of activation energy absorption in the present work may provide a new possible method for analyzing and explaining the breakdown phenomenon in semi-crystalline insulating polymers.

VTST/MT studies of the catalytic mechanism of C-H activation by transition metal complexes with [Cu2(μ-O2)], [Fe2(μ-O2)] and Fe(IV)-O cores based on DFT potential energy surfaces.

PubMed

Kim, Yongho; Mai, Binh Khanh; Park, Sumin

2017-04-01

High-valent Cu and Fe species, which are generated from dioxygen activation in metalloenzymes, carry out the functionalization of strong C-H bonds. Understanding the atomic details of the catalytic mechanism has long been one of the main objectives of bioinorganic chemistry. Large H/D kinetic isotope effects (KIEs) were observed in the C-H activation by high-valent non-heme Cu or Fe complexes in enzymes and their synthetic models. The H/D KIE depends significantly on the transition state properties, such as structure, energies, frequencies, and shape of the potential energy surface, when the tunneling effect is large. Therefore, theoretical predictions of kinetic parameters such as rate constants and KIEs can provide a reliable link between atomic-level quantum mechanical mechanisms and experiments. The accurate prediction of the tunneling effect is essential to reproduce the kinetic parameters. The rate constants and HD/KIE have been calculated using the variational transition-state theory including multidimensional tunneling based on DFT potential energy surfaces along the reaction coordinate. Excellent agreement was observed between the predicted and experimental results, which assures the validity of the DFT potential energy surfaces and, therefore, the proposed atomic-level mechanisms. The [Cu 2 (μ-O) 2 ], [Fe 2 (μ-O) 2 ], and Fe(IV)-oxo species were employed for C-H activation, and their role as catalysts was discussed at an atomic level.

30 CFR 285.307 - How will MMS determine whether competitive interest exists for ROW grants and RUE grants?

Code of Federal Regulations, 2010 CFR

2010-07-01

... MANAGEMENT SERVICE, DEPARTMENT OF THE INTERIOR OFFSHORE RENEWABLE ENERGY ALTERNATE USES OF EXISTING... Renewable Energy Activities Obtaining Row Grants and Rue Grants § 285.307 How will MMS determine whether... interest: (a) We will publish a public notice, describing the parameters of the project, to give affected...

The Effect of Restricted Arm Swing on Energy Expenditure in Healthy Men

ERIC Educational Resources Information Center

Yizhar, Ziva; Boulos, Spiro; Inbar, Omri; Carmeli, Eli

2009-01-01

Arm swing in human walking is an active natural motion involving the upper extremities. Earlier studies have described the interrelationship between arms and legs during walking, but the effect of arm swing on energy expenditure and dynamic parameters during normal gait, is inconclusive. The aim of this study was to investigate the effect of…

Activation thermodynamics of virus adsorption to solids.

PubMed Central

Preston, D R; Farrah, S R

1988-01-01

The kinetics of bacteriophage MS2, T2, and f2 adsorption to powdered nitrocellulose and disrupted Seitz S1 filters at pH 7 were determined as a function of temperature. Data from these studies were combined with data produced in a previous study on MS2 adsorption to clay by Stagg et al. (Appl. Environ. Microbiol. 33:385-391, 1977). These workers studied the adsorption of MS2 to bentonite clay as a function of temperature. Data from both this previous study and the current one were used to calculate the thermodynamic parameters of virus adsorption. The results show that adsorption of bacteriophages to the solids tested is a physical process (energy of activation, less than 40 kcal [168 J]/mol) rather than a chemical process (energy of activation, greater than 40 kcal/mol). The free energy of activation showed a high negative correlation (r = -0.904, r2 = 0.817) with the percentage of virus adsorption to the solids tested. The energy of activation was highly negatively correlated with the percentage of virus adsorption to nitrocellulose and clay (r = -0.913, r2 = 0.834) but poorly correlated with the percentage of virus adsorption to disrupted Seitz S1 filters (r = -0.348, r2 = 0.121). In general, under conditions in which the percentage of virus adsorption was low, the energy of activation, the free energy of activation, and the entropy of activation were high. Increasing the percentage of virus adsorbed by changing the adsorbing conditions or changing the adsorbing solid decreased the energy of activation, the free energy of activation, and the entropy of activation. PMID:3214152

Corneal critical barrier against the penetration of dexamethasone and lomefloxacin hydrochloride: evaluation by the activation energy for drug partition and diffusion in cornea.

PubMed

Yasueda, Shin-ichi; Higashiyama, Masayo; Yamaguchi, Masazumi; Isowaki, Akiharu; Ohtori, Akira

2007-08-01

The cornea is a solid barrier against drug permeation. We searched the critical barrier of corneal drug permeation using a hydrophobic drug, dexamethasone (DM), and a hydrophilic drug, lomefloxacin hydrochloride (LFLX). The activation energies for permeability of DM and LFLX across the intact cornea were 88.0 and 42.1 kJ/mol, respectively. Their activation energies for permeability across the cornea without epithelium decreased to 33.1 and 16.6 kJ/mol, respectively. The results show that epithelium is the critical barrier on the cornea against the permeation of a hydrophobic drug of DM as well as a hydrophilic drug of LFLX. The activation energy of partition for DM (66.8 kJ/mol) was approximately 3-fold larger than that of diffusion (21.2 kJ/mol). The results indicate that the partition for the hydrophobic drug of DM to the corneal epithelium is the primary barrier. Thermodynamic evaluation of activation energy for the drug permeation parameters is a good approach to investigate the mechanism of drug permeability.

Mathematical Modelling of Liner Piston Maintenance Activity using Field Data to Minimize Overhauling Time and Human Energy Consumption

NASA Astrophysics Data System (ADS)

Belkhode, Pramod Namdeorao

2017-06-01

Field data based model is proposed to reduce the overhauling time and human energy consumed in liner piston maintenance activity so as to increase the productivity of liner piston maintenance activity. The independent variables affecting the phenomenon such as anthropometric parameters of workers (Eastman Kodak Co. Ltd in Section VIA Appendix-A: Anthropometric Data. Ergonomic Design for People at Work, Van Nostrans Reinhold, New York, 1), workers parameters, specification of liner piston data, specification of tools used in liner piston maintenance activity, specification of solvents, axial clearance of big end bearing and bolt elongation, workstation data (Eastman Kodak Co. Ltd in Work Place Ergonomic Design for People at Work, Van Nostrans Reinhold, New York, 2) and extraneous variables, namely, temperature, humidity at workplace, illumination at workplace and noise at workplace (Eastman Kodak Co. Ltd in Chapter V Environment Ergonomic Design for People at Work, Van Nostrans Reinhold, New York, 3) are taken into account. The model is formulated for dependent variables of liner piston maintenance activity to minimize the overhauling time and human energy consumption so as to improve the productivity of liner piston maintenance activity. The developed model can predict the performance of liner piston maintenance activity which involves man and machine system (Schenck in Theories of Engineering Experimentation, Mc-Graw Hill, New York 4). The model is then optimized by optimization technique and the sensitivity analysis of the model has also been estimated.

Energy Exchange by Thermal Radiation: Hints and Suggestions for an Inquiry Based Lab Approach

NASA Astrophysics Data System (ADS)

Battaglia, Onofrio Rosario; Fazio, Claudio; Pizzolato, Nicola; Mineo, Rosa Maria Sperandeo

In this paper we present some laboratory activities developed in the framework of an inquiry-based approach to the study of energy exchange by thermal radiation. These activities were developed in the context of "Establish", a FP7 European Project aimed at promoting and developing Inquiry Based Science Education in European Secondary Schools. By starting from real life students are engaged in designing and carrying out laboratory activities by collecting, processing and analysing data. Particular attention is paid in building data interpretation by taking into account the effects of parameters like the environmental temperature.

Investigation of epi-thermal shape-parameter needed for precision analysis of activation

NASA Astrophysics Data System (ADS)

Elmaghraby, Elsayed K.

2017-06-01

The present work aims to expose factors that alter the isotope's effective resonance energy and its resonance integral in order to have consistency between the experimental observation of integral experiments and the prediction of the reaction rate. The investigation is based on disclosing the interference among resonances in Breit-Wigner and Reich-Moore representations to make the investigation of the statistical nature of resonances possible. The shape-parameter influence on the isotope's behavior in epi-thermal neutron field was investigated in the range from -0.1 to 0.1. Evaluated resonance data given in Evaluated Nuclear Data Files (ENDF/B VII.1) and temperature-dependent cross-sections of Point2015 are used. Only resolved resonances are considered in the present assessment. Tabulated values of resonance integrals and effective resonance energies with their moments are given for the majority of ENDF's isotopes. The reported data can be used, directly, to compute the integral parameters for any value of shape-parameter without the need to use numerical software tools. Correlations among effective resonance energy, experimental level spacing and resonance integral are discussed.

Kinetic Analysis of Isothermal Decomposition Process of Sodium Bicarbonate Using the Weibull Probability Function—Estimation of Density Distribution Functions of the Apparent Activation Energies

NASA Astrophysics Data System (ADS)

Janković, Bojan

2009-10-01

The decomposition process of sodium bicarbonate (NaHCO3) has been studied by thermogravimetry in isothermal conditions at four different operating temperatures (380 K, 400 K, 420 K, and 440 K). It was found that the experimental integral and differential conversion curves at the different operating temperatures can be successfully described by the isothermal Weibull distribution function with a unique value of the shape parameter ( β = 1.07). It was also established that the Weibull distribution parameters ( β and η) show independent behavior on the operating temperature. Using the integral and differential (Friedman) isoconversional methods, in the conversion (α) range of 0.20 ≤ α ≤ 0.80, the apparent activation energy ( E a ) value was approximately constant ( E a, int = 95.2 kJmol-1 and E a, diff = 96.6 kJmol-1, respectively). The values of E a calculated by both isoconversional methods are in good agreement with the value of E a evaluated from the Arrhenius equation (94.3 kJmol-1), which was expressed through the scale distribution parameter ( η). The Málek isothermal procedure was used for estimation of the kinetic model for the investigated decomposition process. It was found that the two-parameter Šesták-Berggren (SB) autocatalytic model best describes the NaHCO3 decomposition process with the conversion function f(α) = α0.18(1-α)1.19. It was also concluded that the calculated density distribution functions of the apparent activation energies ( ddfE a ’s) are not dependent on the operating temperature, which exhibit the highly symmetrical behavior (shape factor = 1.00). The obtained isothermal decomposition results were compared with corresponding results of the nonisothermal decomposition process of NaHCO3.

Buoyancy effects on the radiative magneto Micropolar nanofluid flow with double stratification, activation energy and binary chemical reaction.

PubMed

Ramzan, M; Ullah, Naeem; Chung, Jae Dong; Lu, Dianchen; Farooq, Umer

2017-10-10

A mathematical model has been developed to examine the magneto hydrodynamic micropolar nanofluid flow with buoyancy effects. Flow analysis is carried out in the presence of nonlinear thermal radiation and dual stratification. The impact of binary chemical reaction with Arrhenius activation energy is also considered. Apposite transformations are engaged to transform nonlinear partial differential equations to differential equations with high nonlinearity. Resulting nonlinear system of differential equations is solved by differential solver method in Maple software which uses Runge-Kutta fourth and fifth order technique (RK45). To authenticate the obtained results, a comparison with the preceding article is also made. The evaluations are executed graphically for numerous prominent parameters versus velocity, micro rotation component, temperature, and concentration distributions. Tabulated numerical calculations of Nusselt and Sherwood numbers with respective well-argued discussions are also presented. Our findings illustrate that the angular velocity component declines for opposing buoyancy forces and enhances for aiding buoyancy forces by changing the micropolar parameter. It is also found that concentration profile increases for higher values of chemical reaction parameter, whereas it diminishes for growing values of solutal stratification parameter.

Molecular surface area based predictive models for the adsorption and diffusion of disperse dyes in polylactic acid matrix.

PubMed

Xu, Suxin; Chen, Jiangang; Wang, Bijia; Yang, Yiqi

2015-11-15

Two predictive models were presented for the adsorption affinities and diffusion coefficients of disperse dyes in polylactic acid matrix. Quantitative structure-sorption behavior relationship would not only provide insights into sorption process, but also enable rational engineering for desired properties. The thermodynamic and kinetic parameters for three disperse dyes were measured. The predictive model for adsorption affinity was based on two linear relationships derived by interpreting the experimental measurements with molecular structural parameters and compensation effect: ΔH° vs. dye size and ΔS° vs. ΔH°. Similarly, the predictive model for diffusion coefficient was based on two derived linear relationships: activation energy of diffusion vs. dye size and logarithm of pre-exponential factor vs. activation energy of diffusion. The only required parameters for both models are temperature and solvent accessible surface area of the dye molecule. These two predictive models were validated by testing the adsorption and diffusion properties of new disperse dyes. The models offer fairly good predictive ability. The linkage between structural parameter of disperse dyes and sorption behaviors might be generalized and extended to other similar polymer-penetrant systems. Copyright © 2015 Elsevier Inc. All rights reserved.

Renewable fluid dynamic energy derived from aquatic animal locomotion.

PubMed

Dabiri, John O

2007-09-01

Aquatic animals swimming in isolation and in groups are known to extract energy from the vortices in environmental flows, significantly reducing muscle activity required for locomotion. A model for the vortex dynamics associated with this phenomenon is developed, showing that the energy extraction mechanism can be described by simple criteria governing the kinematics of the vortices relative to the body in the flow. In this way, we need not make direct appeal to the fluid dynamics, which can be more difficult to evaluate than the kinematics. Examples of these principles as exhibited in swimming fish and existing energy conversion devices are described. A benefit of the developed framework is that the potentially infinite-dimensional parameter space of the fluid-structure interaction is reduced to a maximum of eight combinations of three parameters. The model may potentially aid in the design and evaluation of unsteady aero- and hydrodynamic energy conversion systems that surpass the Betz efficiency limit of steady fluid dynamic energy conversion systems.

Topological crystalline insulator SnTe nanoribbons

NASA Astrophysics Data System (ADS)

Dahal, Bishnu R.; Dulal, Rajendra P.; Pegg, Ian L.; Philip, John

2017-03-01

Topological crystalline insulators are systems in which a band inversion that is protected by crystalline mirror symmetry gives rise to nontrivial topological surface states. SnTe is a topological crystalline insulator. It exhibits p-type conductivity due to Sn vacancies and Te antisites, which leads to high carrier density in the bulk. Thus growth of high quality SnTe is a prerequisite for understanding the topological crystalline insulating behavior. We have grown SnTe nanoribbons using a solution method. The width of the SnTe ribbons varies from 500 nm to 2 μm. They exhibit rock salt crystal structure with a lattice parameter of 6.32 Å. The solution method that we have adapted uses low temperature, so the Sn vacancies can be controlled. The solution grown SnTe nanoribbons exhibit strong semiconducting behavior with an activation energy of 240 meV. This activation energy matches with the calculated band gap for SnTe with a lattice parameter of 6.32 Å, which is higher than that reported for bulk SnTe. The higher activation energy makes the thermal excitation of bulk charges very difficult on the surface. As a result, the topological surfaces will be free from the disturbance caused by the thermal excitations

The Effects of Acid Etching on the Nanomorphological Surface Characteristics and Activation Energy of Titanium Medical Materials.

PubMed

Hung, Kuo-Yung; Lin, Yi-Chih; Feng, Hui-Ping

2017-10-11

The purpose of this study was to characterize the etching mechanism, namely, the etching rate and the activation energy, of a titanium dental implant in concentrated acid and to construct the relation between the activation energy and the nanoscale surface topographies. A commercially-pure titanium (CP Ti) and Ti-6Al-4V ELI surface were tested by shot blasting (pressure, grain size, blasting distance, blasting angle, and time) and acid etching to study its topographical, weight loss, surface roughness, and activation energy. An Arrhenius equation was applied to derive the activation energy for the dissolution of CP Ti/Ti-6Al-4V ELI in sulfuric acid (H₂SO₄) and hydrochloric acid (HCl) at different temperatures. In addition, white-light interferometry was applied to measure the surface nanomorphology of the implant to obtain 2D or 3D roughness parameters (Sa, Sq, and St). The nanopore size that formed after etching was approximately 100-500 nm. The surface roughness of CP Ti and Ti-6Al-4V ELI decreased as the activation energy decreased but weight loss increased. Ti-6Al-4V ELI has a higher level of activation energy than Ti in HCl, which results in lower surface roughness after acid etching. This study also indicates that etching using a concentrated hydrochloric acid provided superior surface modification effects in titanium compared with H₂SO₄.

76 FR 4870 - New England Fishery Management Council; Public Meeting

Federal Register 2010, 2011, 2012, 2013, 2014

2011-01-27

... substrate and energy data and gear specific habitat vulnerability parameters. This tool will enable a better... vulnerability to particular fishing gears, and the distribution of adverse effects from fishing activities on...

Decreases in activation energy and substrate affinity in cold-adapted A4-lactate dehydrogenase: evidence from the Antarctic notothenioid fish Chaenocephalus aceratus.

PubMed

Fields, Peter A; Houseman, Daniel E

2004-12-01

Enzyme function is strongly affected by temperature, and orthologs from species adapted to different thermal environments often show temperature compensation in kinetic properties. Antarctic notothenioid fishes live in a habitat of constant, extreme cold (-1.86 +/- 2 degrees C), and orthologs of the enzyme A4-lactate dehydrogenase (A4-LDH) in these species have adapted to this environment through higher catalytic rates, lower Arrhenius activation energies (Ea), and increases in the apparent Michaelis constant for the substrate pyruvate (Km(PYR)). Here, site-directed mutagenesis was used to determine which amino acid substitutions found in A4-LDH of the notothenioid Chaenocephalus aceratus, with respect to orthologs from warm-adapted teleosts, are responsible for these adaptive changes in enzyme function. Km(PYR) was measured in eight single and two double mutants, and Ea was tested in five single and two double mutants in the temperature range 0 degrees C-20 degrees C. Of the four mutants that had an effect on these parameters, two increased Ea but did not affect Km(PYR) (Gly224Ser, Ala310Pro), and two increased both Ea and Km(PYR) (Glu233Met, Gln317Val). The double mutants Glu233Met/Ala310Pro and Glu233Met/Gln317Val increased Km(PYR) and Ea to levels not significantly different from the A4-LDH of a warm temperate fish (Gillichthys mirabilis, habitat temperature 10 degrees C-35 degrees C). The four single mutants are associated with two alpha-helices that move during the catalytic cycle; those that affect Ea but not Km(PYR) are further from the active site than those that affect both parameters. These results provide evidence that (1) cold adaptation in A4-LDH involves changes in mobility of catalytically important molecular structures; (2) these changes may alter activation energy alone or activation energy and substrate affinity together; and (3) the extent to which these parameters are affected may depend on the location of the substitutions within the mobile alpha-helices, perhaps due to differences in proximity to the active site.

Pyrolysis kinetics and thermal behavior of waste sawdust biomass using thermogravimetric analysis.

PubMed

Mishra, Ranjeet Kumar; Mohanty, Kaustubha

2018-03-01

The present study reports pyrolysis behavior of three waste biomass using thermogravimetric analysis to determine kinetic parameters at five different heating rates. Physiochemical characterization confirmed that these biomass have the potential for fuel and energy production. Pyrolysis experiments were carried out at five different heating rates (5-25 °C min -1 ). Five model-free methods such as Kissinger-Akahira-Sunose (KAS), Ozawa-Flynn-Wall (OFW), Friedman, Coats-Redfern, and distributed activation energy (DAEM) were used to calculate the kinetic parameters. The activation energy was found to be 171.66 kJ mol -1 , 148.44 kJ mol -1 , and 171.24 kJ mol -1 from KAS model; 179.29 kJ mol -1 , 156.58 kJ mol -1 , and 179.47 kJ mol -1 from OFW model; 168.58 kJ mol -1 , 181.53 kJ mol -1 , and 184.61 kJ mol -1 from Friedman model; and 206.62 kJ mol -1 , 171.63 kJ mol -1 , and 160.45 kJ mol -1 from DAEM model for PW, SW, AN biomass respectively. The calculated kinetic parameters are in good agreement with other reported biomass. Copyright © 2017 Elsevier Ltd. All rights reserved.

The statistical analysis of energy release in small-scale coronal structures

NASA Astrophysics Data System (ADS)

Ulyanov, Artyom; Kuzin, Sergey; Bogachev, Sergey

We present the results of statistical analysis of impulsive flare-like brightenings, which numerously occur in the quiet regions of solar corona. For our study, we utilized high-cadence observations performed with two EUV-telescopes - TESIS/Coronas-Photon and AIA/SDO. In total, we processed 6 sequences of images, registered throughout the period between 2009 and 2013, covering the rising phase of the 24th solar cycle. Based on high-speed DEM estimation method, we developed a new technique to evaluate the main parameters of detected events (geometrical sizes, duration, temperature and thermal energy). We then obtained the statistical distributions of these parameters and examined their variations depending on the level of solar activity. The results imply that near the minimum of the solar cycle the energy release in quiet corona is mainly provided by small-scale events (nanoflares), whereas larger events (microflares) prevail on the peak of activity. Furthermore, we investigated the coronal conditions that had specified the formation and triggering of registered flares. By means of photospheric magnetograms obtained with MDI/SoHO and HMI/SDO instruments, we examined the topology of local magnetic fields at different stages: the pre-flare phase, the peak of intensity and the ending phase. To do so, we introduced a number of topological parameters including the total magnetic flux, the distance between magnetic sources and their mutual arrangement. The found correlation between the change of these parameters and the formation of flares may offer an important tool for application of flare forecasting.

Application of the Zero-Order Reaction Rate Model and Transition State Theory to predict porous Ti6Al4V bending strength.

PubMed

Reig, L; Amigó, V; Busquets, D; Calero, J A; Ortiz, J L

2012-08-01

Porous Ti6Al4V samples were produced by microsphere sintering. The Zero-Order Reaction Rate Model and Transition State Theory were used to model the sintering process and to estimate the bending strength of the porous samples developed. The evolution of the surface area during the sintering process was used to obtain sintering parameters (sintering constant, activation energy, frequency factor, constant of activation and Gibbs energy of activation). These were then correlated with the bending strength in order to obtain a simple model with which to estimate the evolution of the bending strength of the samples when the sintering temperature and time are modified: σY=P+B·[lnT·t-ΔGa/R·T]. Although the sintering parameters were obtained only for the microsphere sizes analysed here, the strength of intermediate sizes could easily be estimated following this model. Copyright © 2012 Elsevier B.V. All rights reserved.

Electrical conductivity and dielectric behavior in sodium zinc divanadates

NASA Astrophysics Data System (ADS)

Sallemi, F.; Louati, B.; Guidara, K.

2014-11-01

The Na2ZnV2O7 compound was obtained by the conventional solid-state reaction. The sample was characterized by X-ray powder diffraction, Raman and impedance spectroscopy. The ac electrical conductivity and dielectric properties have been investigated in the frequency and temperature range of 200 Hz-1 MHz and 513 K-729 K, respectively. The direct current conductivity process is thermally activated. The frequency dependence of the conductivity is interpreted using the power law. The close values of activation energies obtained from the analysis of hopping frequency and dc conductivity implies that the transport is due to Na+ cation displacement parallel to (0 0 1) plane located between ZnO4 and VO4 tetrahedra. The evolution of the complex permittivity as a function of angular frequency was investigated. Several important parameters such as charge carrier concentration, ionic mobility and diffusion coefficient were determined. Thermodynamic parameters such as the free energy of activation ∆F, the enthalpy ∆H, and the change in entropy ∆S have been calculated.

Effect of H2 binding on the nonadiabatic transition probability between singlet and triplet states of the [NiFe]-hydrogenase active site.

PubMed

Kaliakin, Danil S; Zaari, Ryan R; Varganov, Sergey A

2015-02-12

We investigate the effect of H2 binding on the spin-forbidden nonadiabatic transition probability between the lowest energy singlet and triplet electronic states of [NiFe]-hydrogenase active site model, using a velocity averaged Landau-Zener theory. Density functional and multireference perturbation theories were used to provide parameters for the Landau-Zener calculations. It was found that variation of the torsion angle between the terminal thiolate ligands around the Ni center induces an intersystem crossing between the lowest energy singlet and triplet electronic states in the bare active site and in the active site with bound H2. Potential energy curves between the singlet and triplet minima along the torsion angle and H2 binding energies to the two spin states were calculated. Upon H2 binding to the active site, there is a decrease in the torsion angle at the minimum energy crossing point between the singlet and triplet states. The probability of nonadiabatic transitions at temperatures between 270 and 370 K ranges from 35% to 32% for the active site with bound H2 and from 42% to 38% for the bare active site, thus indicating the importance of spin-forbidden nonadiabatic pathways for H2 binding on the [NiFe]-hydrogenase active site.

AE characteristic for monitoring of fatigue crack in steel bridge members

NASA Astrophysics Data System (ADS)

Yoon, Dong-Jin; Jung, Juong-Chae; Park, Philip; Lee, Seung-Seok

2000-06-01

Acoustic emission technique was employed for the monitoring of crack activity in both steel bridge members and laboratory specimen. Laboratory experiment was carried out to identify AE characteristics of fatigue cracks for compact tension specimen. The relationship between a stress intensity factor and AE signals activity as well as conventional AE parameter analysis was discussed. A field test was also conducted on a railway bridge, which contain several fatigue cracks. Crack activities were investigated while in service with strain measurement. From the results, in the laboratory tests, the features of three parameters such as the length of crack growth, the AE energy, and the cumulative AE events, showed the almost same trend in their increase as the number of fatigue cycle increased. From the comparisons of peak amplitude and AE energy with stress intensity factor, it was verified that the higher stress intensity factors generated AE signals with higher peak amplitude and a large number of AE counts. In the field test, real crack propagation signals were captured and the crack activity was verified in two cases.

Distributed energy store railgun - The limiting case

NASA Astrophysics Data System (ADS)

Marshall, Richard A.

1991-01-01

When the limiting case of a distributed energy store railgun is analyzed, (i.e., the case where the space between adjacent energy stores become indefinitely small) three important results are obtained. First, the shape of the current pulse delivered by each store is sinusoidal with an exponential tail. Second, the rail-to-rail voltage behind the rearmost active store approaches zero. Third, it is not possible to choose parameters in such a way that capacitor crowbars can be eliminated.

Predicting the quality of powders for inhalation from surface energy and area.

PubMed

Cline, David; Dalby, Richard

2002-09-01

To correlate the surface energy of active and carrier components in an aerosol powder to in vitro performance of a passive dry powder inhaler. Inverse gas chromatography (IGC) was used to assess the surface energy of active (albuterol and ipratropium bromide) and carrier (lactose monohydrate, trehalose dihydrate and mannitol) components of a dry powder inhaler formulation. Blends (1%w/w) of drug and carrier were prepared and evaluated for dry powder inhaler performance by cascade impaction. The formulations were tested with either of two passive dry powder inhalers, Rotahaler (GlaxoSmithKline) or Handihaler (Boehringer Ingelheim). In vitro performance of the powder blends was strongly correlated to surface energy interaction between active and carrier components. Plotting fine particle fraction vs. surface energy interaction yielded an R2 value of 0.9283. Increasing surface energy interaction between drug and carrier resulted in greater fine particle fraction of drug. A convincing relationship, potentially useful for rapid formulation design and screening, was found between the surface energy and area parameters derived from IGC and dry powder inhaler performance.

Effect of photon energy spectrum on dosimetric parameters of brachytherapy sources.

PubMed

Ghorbani, Mahdi; Mehrpouyan, Mohammad; Davenport, David; Ahmadi Moghaddas, Toktam

2016-06-01

The aim of this study is to quantify the influence of the photon energy spectrum of brachytherapy sources on task group No. 43 (TG-43) dosimetric parameters. Different photon spectra are used for a specific radionuclide in Monte Carlo simulations of brachytherapy sources. MCNPX code was used to simulate 125I, 103Pd, 169Yb, and 192Ir brachytherapy sources. Air kerma strength per activity, dose rate constant, radial dose function, and two dimensional (2D) anisotropy functions were calculated and isodose curves were plotted for three different photon energy spectra. The references for photon energy spectra were: published papers, Lawrence Berkeley National Laboratory (LBNL), and National Nuclear Data Center (NNDC). The data calculated by these photon energy spectra were compared. Dose rate constant values showed a maximum difference of 24.07% for 103Pd source with different photon energy spectra. Radial dose function values based on different spectra were relatively the same. 2D anisotropy function values showed minor differences in most of distances and angles. There was not any detectable difference between the isodose contours. Dosimetric parameters obtained with different photon spectra were relatively the same, however it is suggested that more accurate and updated photon energy spectra be used in Monte Carlo simulations. This would allow for calculation of reliable dosimetric data for source modeling and calculation in brachytherapy treatment planning systems.

Effect of photon energy spectrum on dosimetric parameters of brachytherapy sources

PubMed Central

Ghorbani, Mahdi; Davenport, David

2016-01-01

Abstract Aim The aim of this study is to quantify the influence of the photon energy spectrum of brachytherapy sources on task group No. 43 (TG-43) dosimetric parameters. Background Different photon spectra are used for a specific radionuclide in Monte Carlo simulations of brachytherapy sources. Materials and methods MCNPX code was used to simulate 125I, 103Pd, 169Yb, and 192Ir brachytherapy sources. Air kerma strength per activity, dose rate constant, radial dose function, and two dimensional (2D) anisotropy functions were calculated and isodose curves were plotted for three different photon energy spectra. The references for photon energy spectra were: published papers, Lawrence Berkeley National Laboratory (LBNL), and National Nuclear Data Center (NNDC). The data calculated by these photon energy spectra were compared. Results Dose rate constant values showed a maximum difference of 24.07% for 103Pd source with different photon energy spectra. Radial dose function values based on different spectra were relatively the same. 2D anisotropy function values showed minor differences in most of distances and angles. There was not any detectable difference between the isodose contours. Conclusions Dosimetric parameters obtained with different photon spectra were relatively the same, however it is suggested that more accurate and updated photon energy spectra be used in Monte Carlo simulations. This would allow for calculation of reliable dosimetric data for source modeling and calculation in brachytherapy treatment planning systems. PMID:27247558

Energy transfer and motion synchronization between mechanical oscillators through microhydrodynamic coupling

NASA Astrophysics Data System (ADS)

Wan, Yu; Jin, Kai; Ahmad, Talha J.; Black, Michael J.; Xu, Zhiping

2017-03-01

Fluidic environment is encountered for mechanical components in many circumstances, which not only damps the oscillation but also modulates their dynamical behaviors through hydrodynamic interactions. In this study, we examine energy transfer and motion synchronization between two mechanical micro-oscillators by performing thermal lattice-Boltzmann simulations. The coefficient of inter-oscillator energy transfer is measured to quantify the strength of microhydrodynamic coupling, which depends on their distance and fluid properties such as density and viscosity. Synchronized motion of the oscillators is observed in the simulations for typical parameter sets in relevant applications, with the formation and loss of stable anti-phase synchronization controlled by the oscillating frequency, amplitude, and hydrodynamic coupling strength. The critical ranges of key parameters to assure efficient energy transfer or highly synchronized motion are predicted. These findings could be used to advise mechanical design of passive and active devices that operate in fluid.

Zero-point fluctuations in naphthalene and their effect on charge transport parameters.

PubMed

Kwiatkowski, Joe J; Frost, Jarvist M; Kirkpatrick, James; Nelson, Jenny

2008-09-25

We calculate the effect of vibronic coupling on the charge transport parameters in crystalline naphthalene, between 0 and 400 K. We find that nuclear fluctuations can cause large changes in both the energy of a charge on a molecule and on the electronic coupling between molecules. As a result, nuclear fluctuations cause wide distributions of both energies and couplings. We show that these distributions have a small temperature dependence and that, even at high temperatures, vibronic coupling is dominated by the effect of zero-point fluctuations. Because of the importance of zero-point fluctuations, we find that the distributions of energies and couplings have substantial width, even at 0 K. Furthermore, vibronic coupling with high energy modes may be significant, even though these modes are never thermally activated. Our results have implications for the temperature dependence of charge mobilities in organic semiconductors.

Differential Scanning Calorimetric Study and Potential Model of the Binding of the Primary Water of Hydration to K-Hyaluronate

NASA Astrophysics Data System (ADS)

Whitson, K. B.; Marlowe, R. L.; Lukan, A. M.; Lee, S. A.; Anthony, L.; Rupprecht, A.

1997-11-01

DSC was performed on samples of K-hyaluronate (KHA) through a temperature range of 25-180^oC. A transition peak was observed which is due to the desorption of the primary water of hydration. The maximum position of the peak was observed to change with different scan rates. The average energy of activation, E_A, and enthalpy for desorption of the primary water of hydration was determined to be 0.62 and 0.17 eV per water molecule, respectively. Analysis of Mossbauer data(G. Albanese et al., Hyperfine Int.,) 95, 97 (1995) allowed us to determine the effective force constant, k_eff, of the water bound to KHA to be approximately 19.4 eV/nm^2. The parameters E_A, ΔH,and k_eff allow us to construct a potential model for the primary water of hydration of KHA. Comparison of these parameters with the same parameters for HA and DNA with different counterions reveal that the energy of activation is similar, as well as the enthalpy change.

Nickel(II) biosorption by Rhodotorula glutinis.

PubMed

Suazo-Madrid, Alicia; Morales-Barrera, Liliana; Aranda-García, Erick; Cristiani-Urbina, Eliseo

2011-01-01

The present study reports the feasibility of using Rhodotorula glutinis biomass as an alternative low-cost biosorbent to remove Ni(II) ions from aqueous solutions. Acetone-pretreated R. glutinis cells showed higher Ni(II) biosorption capacity than untreated cells at pH values ranging from 3 to 7.5, with an optimum pH of 7.5. The effects of other relevant environmental parameters, such as initial Ni(II) concentration, shaking contact time and temperature, on Ni(II) biosorption onto acetone-pretreated R. glutinis were evaluated. Significant enhancement of Ni(II) biosorption capacity was observed by increasing initial metal concentration and temperature. Kinetic studies showed that the kinetic data were best described by a pseudo-second-order kinetic model. Among the two-, three-, and four-parameter isotherm models tested, the Fritz-Schluender model exhibited the best fit to experimental data. Thermodynamic parameters (activation energy, and changes in activation enthalpy, activation entropy, and free energy of activation) revealed that the biosorption of Ni(II) ions onto acetone-pretreated R. glutinis biomass is an endothermic and non-spontaneous process, involving chemical sorption with weak interactions between the biosorbent and Ni(II) ions. The high sorption capacity (44.45 mg g(-1) at 25°C, and 63.53 mg g(-1) at 70°C) exhibited by acetone-pretreated R. glutinis biomass places this biosorbent among the best adsorbents currently available for removal of Ni(II) ions from aqueous effluents.

Investigations of fluid-strain interaction using Plate Boundary Observatory borehole data

NASA Astrophysics Data System (ADS)

Boyd, Jeffrey Michael

Software has a great impact on the energy efficiency of any computing system--it can manage the components of a system efficiently or inefficiently. The impact of software is amplified in the context of a wearable computing system used for activity recognition. The design space this platform opens up is immense and encompasses sensors, feature calculations, activity classification algorithms, sleep schedules, and transmission protocols. Design choices in each of these areas impact energy use, overall accuracy, and usefulness of the system. This thesis explores methods software can influence the trade-off between energy consumption and system accuracy. In general the more energy a system consumes the more accurate will be. We explore how finding the transitions between human activities is able to reduce the energy consumption of such systems without reducing much accuracy. We introduce the Log-likelihood Ratio Test as a method to detect transitions, and explore how choices of sensor, feature calculations, and parameters concerning time segmentation affect the accuracy of this method. We discovered an approximate 5X increase in energy efficiency could be achieved with only a 5% decrease in accuracy. We also address how a system's sleep mode, in which the processor enters a low-power state and sensors are turned off, affects a wearable computing platform that does activity recognition. We discuss the energy trade-offs in each stage of the activity recognition process. We find that careful analysis of these parameters can result in great increases in energy efficiency if small compromises in overall accuracy can be tolerated. We call this the ``Great Compromise.'' We found a 6X increase in efficiency with a 7% decrease in accuracy. We then consider how wireless transmission of data affects the overall energy efficiency of a wearable computing platform. We find that design decisions such as feature calculations and grouping size have a great impact on the energy consumption of the system because of the amount of data that is stored and transmitted. For example, storing and transmitting vector-based features such as FFT or DCT do not compress the signal and would use more energy than storing and transmitting the raw signal. The effect of grouping size on energy consumption depends on the feature. For scalar features energy consumption is proportional in the inverse of grouping size, so it's reduced as grouping size goes up. For features that depend on the grouping size, such as FFT, energy increases with the logarithm of grouping size, so energy consumption increases slowly as grouping size increases. We find that compressing data through activity classification and transition detection significantly reduces energy consumption and that the energy consumed for the classification overhead is negligible compared to the energy savings from data compression. We provide mathematical models of energy usage and data generation, and test our ideas using a mobile computing platform, the Texas Instruments Chronos watch.

An Optimal CDS Construction Algorithm with Activity Scheduling in Ad Hoc Networks

PubMed Central

Penumalli, Chakradhar; Palanichamy, Yogesh

2015-01-01

A new energy efficient optimal Connected Dominating Set (CDS) algorithm with activity scheduling for mobile ad hoc networks (MANETs) is proposed. This algorithm achieves energy efficiency by minimizing the Broadcast Storm Problem [BSP] and at the same time considering the node's remaining energy. The Connected Dominating Set is widely used as a virtual backbone or spine in mobile ad hoc networks [MANETs] or Wireless Sensor Networks [WSN]. The CDS of a graph representing a network has a significant impact on an efficient design of routing protocol in wireless networks. Here the CDS is a distributed algorithm with activity scheduling based on unit disk graph [UDG]. The node's mobility and residual energy (RE) are considered as parameters in the construction of stable optimal energy efficient CDS. The performance is evaluated at various node densities, various transmission ranges, and mobility rates. The theoretical analysis and simulation results of this algorithm are also presented which yield better results. PMID:26221627

Analysis of Acoustic Emission Parameters from Corrosion of AST Bottom Plate in Field Testing

NASA Astrophysics Data System (ADS)

Jomdecha, C.; Jirarungsatian, C.; Suwansin, W.

Field testing of aboveground storage tank (AST) to monitor corrosion of the bottom plate is presented in this chapter. AE testing data of the ten AST with different sizes, materials, and products were employed to monitor the bottom plate condition. AE sensors of 30 and 150 kHz were used to monitor the corrosion activity of up to 24 channels including guard sensors. Acoustic emission (AE) parameters were analyzed to explore the AE parameter patterns of occurring corrosion compared to the laboratory results. Amplitude, count, duration, and energy were main parameters of analysis. Pattern recognition technique with statistical was implemented to eliminate the electrical and environmental noises. The results showed the specific AE patterns of corrosion activities related to the empirical results. In addition, plane algorithm was utilized to locate the significant AE events from corrosion. Both results of parameter patterns and AE event locations can be used to interpret and locate the corrosion activities. Finally, basic statistical grading technique was used to evaluate the bottom plate condition of the AST.

Comparative 4f-4f absorption spectral study for the interactions of Nd(III) with some amino acids: Preliminary thermodynamics and kinetic studies of interaction of Nd(III):glycine with Ca(II)

NASA Astrophysics Data System (ADS)

Moaienla, T.; Bendangsenla, N.; David Singh, Th.; Sumitra, Ch.; Rajmuhon Singh, N.; Indira Devi, M.

2012-02-01

Spectral analysis of Nd(III) complexes with some amino acids viz.; glycine, L-alanine, L-phenylalanine and L-aspartic acid in the presence and absence of Ca 2+ was carried out in some organic solvents; CH 3OH, CH 3CN, DMF and dioxane using comparative absorption spectra of 4f-4f transitions. The study was carried out by evaluating various energy interaction parameters like Slator-Condon ( Fk), Lande factor ( ξ4f), nephelauxetic ratio ( β), bonding parameter ( b1/2), percent-covalency ( δ) by applying partial and multiple regression analysis. The values of oscillator strength ( Pobs) and Judd-Ofelt electric dipole intensity parameter Tλ ( λ = 2, 4, 6) for different 4f-4f transitions have been calculated. On analysis of the variation of the various energy interaction parameters as well as the changes in the oscillator strength ( Pobs) and Tλ values, reveal the mode of binding with the different ligands. Kinetic studies for the complexation of Nd(III):glycine:Ca(II) have also been discussed at different temperatures in DMF medium and from it the values of activation energy ( Ea) and thermodynamic parameters like Δ H°, Δ S° and Δ G° for the complexation are evaluated.

Effects of Borax on the Reduction of Pre-oxidized Panzhihua Ilmenite

NASA Astrophysics Data System (ADS)

Guo, Yufeng; Zheng, Fuqiang; Jiang, Tao; Chen, Feng; Wang, Shuai; Qiu, Guanzhou

2018-01-01

The effects of borax (sodium borate) on the enhancement reduction of pre-oxidized Panzhihua ilmenite were investigated. The effects of borax on the mineral phase transformation, microstructures, crystal cell parameter, melting point and Mg distribution were studied to reveal the mechanism of enhancement reduction. Under the constant reduction conditions, the borax could reduce the reduction activation energy of pre-oxidized ilmenite. The reduction kinetics analysis indicated that the reduction rate was controlled by interfacial chemical reaction. The reduction activation energy of the pre-oxidized ilmenite with 4% borax was 80.263 kJ/mol, which was 28.585 kJ/mol less than that of the pre-oxidized ilmenite without borax. Borax could eliminate the migration of Mg into the reduced particle center. The crystal cell parameter of the reduced product was increased by adding borax. Borax could improve the growth of dendritic crystals in the pre-oxidized ilmenite.

Application of the distributed activation energy model to the kinetic study of pyrolysis of the fresh water algae Chlorococcum humicola.

PubMed

Kirtania, Kawnish; Bhattacharya, Sankar

2012-03-01

Apart from capturing carbon dioxide, fresh water algae can be used to produce biofuel. To assess the energy potential of Chlorococcum humicola, the alga's pyrolytic behavior was studied at heating rates of 5-20K/min in a thermobalance. To model the weight loss characteristics, an algorithm was developed based on the distributed activation energy model and applied to experimental data to extract the kinetics of the decomposition process. When the kinetic parameters estimated by this method were applied to another set of experimental data which were not used to estimate the parameters, the model was capable of predicting the pyrolysis behavior, in the new set of data with a R(2) value of 0.999479. The slow weight loss, that took place at the end of the pyrolysis process, was also accounted for by the proposed algorithm which is capable of predicting the pyrolysis kinetics of C. humicola at different heating rates. Crown Copyright © 2011. Published by Elsevier Ltd. All rights reserved.

[The 2,3-diphosphoglycerate shunt and stabilization of the ATP level in mammalian erythrocytes].

PubMed

Ataullakhanov, A I; Ataullakhanov, F I; Vitvitskiĭ, V M; Zhabotinskiĭ, A M; Pichugin, A V

1985-06-01

The mechanisms of regulation of energy metabolism in erythrocytes of various mammalian species were investigated. In native erythrocytes of man, sheep, cow, dog and mouse the dependencies of the rates of glucose uptake on ATP concentration (i.e., regulatory parameters of glycolysis) were measured. These parameters plotted in normalized coordinates are not species-specific (invariant). The dependence of the rate of ATP-consuming processes on ATP concentration has been studied for the first time in intact mammalian erythrocytes. This dependence was found to be linear only in the species, in whose erythrocytes the activity of 2,3-diphosphoglycerate shunt is practically zero. In all species under study, the stabilization of ATP level is provided for mainly by the hexokinase-phosphofructokinase system. A comparison of regulatory mechanisms of energy metabolism in mammalian (sheep, cow) erythrocytes, in which the 2,3-diphosphoglycerate shunt is absent, with human and animal erythrocytes, in which this pathway is active, points to the important role of the 2,3-diphosphoglycerate shunt in regulation of energy conversion in erythrocytes. This shunt operates as an additional stabilizer protecting the cell from extremal influences.

Comparative thermogravimetric analyses of co-combustion of textile dyeing sludge and sugarcane bagasse in carbon dioxide/oxygen and nitrogen/oxygen atmospheres: Thermal conversion characteristics, kinetics, and thermodynamics.

PubMed

Xie, Wenhao; Wen, Shaoting; Liu, Jingyong; Xie, Wuming; Kuo, Jiahong; Lu, Xingwen; Sun, Shuiyu; Chang, Kenlin; Buyukada, Musa; Evrendilek, Fatih

2018-05-01

Thermodynamic and kinetic parameters of co-combustion of textile dyeing sludge (TDS) and sugarcane bagasse (SB) were studied using thermogravimetric analysis in CO 2 /O 2 and N 2 /O 2 atmospheres. Our results showed that the comprehensive combustion characteristic index (CCI) of the blends was improved by 1.71-4.32 times. With the increased O 2 concentration, co-combustion peak temperature decreased from 329.7 to 318.2 °C, with an increase in its maximum weight loss rate from 10.04 to 14.99%/min and its CCI by 1.31 times (β = 20 °C·min -1 ). To evaluate the co-combustion characteristics, thermodynamic and kinetic parameters (entropy, Gibbs free energy and enthalpy changes, and apparent activation energy) were obtained in the five atmospheres. The lowest apparent activation energy of the TB64 blend was obtained in oxy-fuel atmosphere (CO 2 /O 2  = 7/3). Copyright © 2018 Elsevier Ltd. All rights reserved.

Lanthanide and transition metal complexes of bioactive coumarins: molecular modeling and spectroscopic studies.

PubMed

Georgieva, I; Mihaylov, Tz; Trendafilova, N

2014-06-01

The present paper summarizes theoretical and spectroscopic investigations on a series of active coumarins and their lanthanide and transition metal complexes with application in medicine and pharmacy. Molecular modeling as well as IR, Raman, NMR and electronic spectral simulations at different levels of theory were performed to obtain important molecular descriptors: total energy, formation energy, binding energy, stability, conformations, structural parameters, electron density distribution, molecular electrostatic potential, Fukui functions, atomic charges, and reactive indexes. The computations are performed both in gas phase and in solution with consideration of the solvent effect on the molecular structural and energetic parameters. The investigations have shown that the advanced computational methods are reliable for prediction of the metal-coumarin binding mode, electron density distribution, thermodynamic properties as well as the strength and nature of the metal-coumarin interaction (not experimentally accessible) and correctly interpret the experimental spectroscopic data. Known results from biological tests for cytotoxic, antimicrobial, anti-fungal, spasmolytic and anti-HIV activities on the studied metal complexes are reported and discussed. Copyright © 2014 Elsevier Inc. All rights reserved.

The Effects of Acid Etching on the Nanomorphological Surface Characteristics and Activation Energy of Titanium Medical Materials

PubMed Central

Hung, Kuo-Yung; Lin, Yi-Chih; Feng, Hui-Ping

2017-01-01

The purpose of this study was to characterize the etching mechanism, namely, the etching rate and the activation energy, of a titanium dental implant in concentrated acid and to construct the relation between the activation energy and the nanoscale surface topographies. A commercially-pure titanium (CP Ti) and Ti-6Al-4V ELI surface were tested by shot blasting (pressure, grain size, blasting distance, blasting angle, and time) and acid etching to study its topographical, weight loss, surface roughness, and activation energy. An Arrhenius equation was applied to derive the activation energy for the dissolution of CP Ti/Ti-6Al-4V ELI in sulfuric acid (H2SO4) and hydrochloric acid (HCl) at different temperatures. In addition, white-light interferometry was applied to measure the surface nanomorphology of the implant to obtain 2D or 3D roughness parameters (Sa, Sq, and St). The nanopore size that formed after etching was approximately 100–500 nm. The surface roughness of CP Ti and Ti-6Al-4V ELI decreased as the activation energy decreased but weight loss increased. Ti-6Al-4V ELI has a higher level of activation energy than Ti in HCl, which results in lower surface roughness after acid etching. This study also indicates that etching using a concentrated hydrochloric acid provided superior surface modification effects in titanium compared with H2SO4. PMID:29019926

Thermal, structural, functional, optical and magnetic studies of pure and Ba doped CdO nanoparticles.

PubMed

Sivakumar, S; Venkatesan, A; Soundhirarajan, P; Khatiwada, Chandra Prasad

2015-12-05

In this research, a chemical precipitation method was used to synthesize undoped and doped cadmium oxide nanoparticles and studied by TG-DTA, XRD, FT-IR, SEM, with EDX and antibacterial activities, respectively. The melting points, thermal stability and the kinetic parameters like entropy (ΔS), enthalpy (ΔH), Gibb's energy (ΔG), activation energy (E), frequency factor (A) were evaluated from TG-DTA measurements. X-ray diffraction analysis (XRD) brought out the information about the synthesized products exist in spherical in shape with cubic structure. The functional groups and band area of the samples were established by Fourier transform infrared (FT-IR) spectroscopy. The direct and indirect band gap energy of pure and doped samples were determined by UV-Vis-DRS. The surface morphological, elemental compositions and particles sizes were evaluated by scanning electron microscopy (SEM) and energy dispersive X-ray spectroscopy (EDS). Finally, antibacterial activities indicated the Gram-positive and Gram-negative bacteria are more active in transporter, dehydrogenize and periplasmic enzymatic activities of pure and doped samples. Copyright © 2015 Elsevier B.V. All rights reserved.

Prediction of Environmental Impact of High-Energy Materials with Atomistic Computer Simulations

DTIC Science & Technology

2010-11-01

from a training set of compounds. Other methods include Quantitative Struc- ture-Activity Relationship ( QSAR ) and Quantitative Structure-Property...26 28 the development of QSPR/ QSAR models, in contrast to boiling points and critical parameters derived from empirical correlations, to improve...Quadratic Configuration Interaction Singles Doubles QSAR Quantitative Structure-Activity Relationship QSPR Quantitative Structure-Property

On the causes of geomagnetic activity

NASA Technical Reports Server (NTRS)

Svalgaard, L.

1975-01-01

The causes of geomagnetic activity are studied both theoretically in terms of the reconnection model and empirically using the am-index and interplanetary solar wind parameters. It is found that two separate mechanisms supply energy to the magnetosphere. One mechanism depends critically on the magnitude and direction of the interplanetary magnetic field. Both depend strongly on solar wind speed.

Evaluating physical function and activity in the elderly patient using wearable motion sensors.

PubMed

Grimm, Bernd; Bolink, Stijn

2016-05-01

Wearable sensors, in particular inertial measurement units (IMUs) allow the objective, valid, discriminative and responsive assessment of physical function during functional tests such as gait, stair climbing or sit-to-stand.Applied to various body segments, precise capture of time-to-task achievement, spatiotemporal gait and kinematic parameters of demanding tests or specific to an affected limb are the most used measures.In activity monitoring (AM), accelerometry has mainly been used to derive energy expenditure or general health related parameters such as total step counts.In orthopaedics and the elderly, counting specific events such as stairs or high intensity activities were clinimetrically most powerful; as were qualitative parameters at the 'micro-level' of activity such as step frequency or sit-stand duration.Low cost and ease of use allow routine clinical application but with many options for sensors, algorithms, test and parameter definitions, choice and comparability remain difficult, calling for consensus or standardisation. Cite this article: Grimm B, Bolink S. Evaluating physical function and activity in the elderly patient using wearable motion sensors. EFORT Open Rev 2016;1:112-120. DOI: 10.1302/2058-5241.1.160022.

Evaluating physical function and activity in the elderly patient using wearable motion sensors

PubMed Central

Grimm, Bernd; Bolink, Stijn

2016-01-01

Wearable sensors, in particular inertial measurement units (IMUs) allow the objective, valid, discriminative and responsive assessment of physical function during functional tests such as gait, stair climbing or sit-to-stand. Applied to various body segments, precise capture of time-to-task achievement, spatiotemporal gait and kinematic parameters of demanding tests or specific to an affected limb are the most used measures. In activity monitoring (AM), accelerometry has mainly been used to derive energy expenditure or general health related parameters such as total step counts. In orthopaedics and the elderly, counting specific events such as stairs or high intensity activities were clinimetrically most powerful; as were qualitative parameters at the ‘micro-level’ of activity such as step frequency or sit-stand duration. Low cost and ease of use allow routine clinical application but with many options for sensors, algorithms, test and parameter definitions, choice and comparability remain difficult, calling for consensus or standardisation. Cite this article: Grimm B, Bolink S. Evaluating physical function and activity in the elderly patient using wearable motion sensors. EFORT Open Rev 2016;1:112–120. DOI: 10.1302/2058-5241.1.160022. PMID:28461937

A comprehensive overview on electro-active biofilms, role of exo-electrogens and their microbial niches in microbial fuel cells (MFCs).

PubMed

Saratale, Ganesh Dattatraya; Saratale, Rijuta Ganesh; Shahid, Muhammad Kashif; Zhen, Guangyin; Kumar, Gopalakrishnan; Shin, Han-Seung; Choi, Young-Gyun; Kim, Sang-Hyoun

2017-07-01

Microbial fuel cells (MFCs) are biocatalyzed systems which can drive electrical energy by directly converting chemical energy using microbial biocatalyst and are considered as one of the important propitious technologies for sustainable energy production. Much research on MFCs experiments is under way with great potential to become an alternative to produce clean energy from renewable waste. MFCs have been one of the most promising technologies for generating clean energy industry in the future. This article summarizes the important findings in electro-active biofilm formation and the role of exo-electrogens in electron transfer in MFCs. This study provides and brings special attention on the effects of various operating and biological parameters on the biofilm formation in MFCs. In addition, it also highlights the significance of different molecular techniques used in the microbial community analysis of electro-active biofilm. It reviews the challenges as well as the emerging opportunities required to develop MFCs at commercial level, electro-active biofilms and to understand potential application of microbiological niches are also depicted. Thus, this review is believed to widen the efforts towards the development of electro-active biofilm and will provide the research directions to overcome energy and environmental challenges. Copyright © 2017 Elsevier Ltd. All rights reserved.

Mechanistic study of manganese-substituted glycerol dehydrogenase using a kinetic and thermodynamic analysis.

PubMed

Fang, Baishan; Niu, Jin; Ren, Hong; Guo, Yingxia; Wang, Shizhen

2014-01-01

Mechanistic insights regarding the activity enhancement of dehydrogenase by metal ion substitution were investigated by a simple method using a kinetic and thermodynamic analysis. By profiling the binding energy of both the substrate and product, the metal ion's role in catalysis enhancement was revealed. Glycerol dehydrogenase (GDH) from Klebsiella pneumoniae sp., which demonstrated an improvement in activity by the substitution of a zinc ion with a manganese ion, was used as a model for the mechanistic study of metal ion substitution. A kinetic model based on an ordered Bi-Bi mechanism was proposed considering the noncompetitive product inhibition of dihydroxyacetone (DHA) and the competitive product inhibition of NADH. By obtaining preliminary kinetic parameters of substrate and product inhibition, the number of estimated parameters was reduced from 10 to 4 for a nonlinear regression-based kinetic parameter estimation. The simulated values of time-concentration curves fit the experimental values well, with an average relative error of 11.5% and 12.7% for Mn-GDH and GDH, respectively. A comparison of the binding energy of enzyme ternary complex for Mn-GDH and GDH derived from kinetic parameters indicated that metal ion substitution accelerated the release of dioxyacetone. The metal ion's role in catalysis enhancement was explicated.

Kinetic and thermodynamic studies of a novel acid protease from Aspergillus foetidus.

PubMed

Souza, Paula Monteiro; Aliakbarian, Bahar; Filho, Edivaldo Ximenes Ferreira; Magalhães, Pérola Oliveira; Junior, Adalberto Pessoa; Converti, Attilio; Perego, Patrizia

2015-11-01

The kinetics of a thermostable extracellular acid protease produced by an Aspergillus foetidus strain was investigated at different pH, temperatures and substrate concentrations. The enzyme exhibited maximal activity at pH 5.0 and 55°C, and its irreversible deactivation was well described by first-order kinetics. When temperature was raised from 55 to 70°C, the deactivation rate constant increased from 0.018 to 5.06h(-1), while the half-life decreased from 37.6 to 0.13h. The results of activity collected at different temperatures were then used to estimate, the activation energy of the hydrolysis reaction (E*=19.03kJ/mol) and the standard enthalpy variation of reversible enzyme unfolding (ΔH°U=19.03kJ/mol). The results of residual activity tests carried out in the temperature range 55-70°C allowed estimating the activation energy (E(*)d=314.12kJ/mol), enthalpy (311.27≤(ΔH°d≤311.39kJ/mol), entropy (599.59≤ΔS(*)d≤610.49kJ/mol K) and Gibbs free energy (103.18≤ΔG(*)d≤113.87kJ/mol) of the enzyme irreversible denaturation. These thermodynamic parameters suggest that this new protease is highly thermostable and could be important for industrial applications. To the best of our knowledge, this is the first report on thermodynamic parameters of an acid protease produced by A. foetidus. Copyright © 2015 Elsevier B.V. All rights reserved.

Er:YAG laser for endodontics: efficiency and safety

NASA Astrophysics Data System (ADS)

Hibst, Raimund; Stock, Karl; Gall, Robert; Keller, Ulrich

1997-12-01

Recently it has been shown that bacterias can be sterilized by Er:YAG laser irradiation. By optical fiber transmission the bactericidal effect can also be used in endodontics. In order to explore potential laser parameters, we further investigated sterilization of caries and measured temperatures in models simulating endodontic treatment. It was found out that the bactericidal effect is cumulative, with single pulses being active. This offers to choose all laser parameters except pulse energy (radiant exposure) from technical, practical or safety considerations. For clinical studies the following parameter set is proposed for efficient and safe application (teeth with a root wall thickness > 1 mm, and prepared up to ISO 50): pulse energy: 50 mJ, repetition rate: 15 Hz, fiber withdrawal velocity: 2 mm/s. With these settings 4 passes must be performed to accumulate the total dose for sterilization.

Unusual flaring activity in the blazar PKS 1424-418 during 2008-2011

DOE PAGES

Buson, S.; Longo, F.; Larsson, S.; ...

2014-09-01

Context. Blazars are a subset of active galactic nuclei (AGN) with jets that are oriented along our line of sight. Variability and spectral energy distribution (SED) studies are crucial tools for understanding the physical processes responsible for observed AGN emission. Aims. We report peculiar behaviour in the bright γ-ray blazar PKS 1424-418 and use its strong variability to reveal information about the particle acceleration and interactions in the jet. Methods. Correlation analysis of the extensive optical coverage by the ATOM telescope and nearly continuous γ-ray coverage by the Fermi Large Area Telescope is combined with broadband, time-dependent modeling of themore » SED incorporating supplemental information from radio and X-ray observations of this blazar. Results. We analyse in detail four bright phases at optical-GeV energies. These flares of PKS 1424-418 show high correlation between these energy ranges, with the exception of one large optical flare that coincides with relatively low γ-ray activity. Although the optical/ γ-ray behaviour of PKS 1424-418 shows variety, the multiwavelength modeling indicates that these differences can largely be explained by changes in the flux and energy spectrum of the electrons in the jet that are radiating. We find that for all flares the SED is adequately represented by a leptonic model that includes inverse Compton emission from external radiation fields with similar parameters. Conclusions. Detailed studies of individual blazars like PKS 1424-418 during periods of enhanced activity in different wavebands are helping us identify underlying patterns in the physical parameters in this class of AGN.« less

Estimation of energy density of Li-S batteries with liquid and solid electrolytes

NASA Astrophysics Data System (ADS)

Li, Chunmei; Zhang, Heng; Otaegui, Laida; Singh, Gurpreet; Armand, Michel; Rodriguez-Martinez, Lide M.

2016-09-01

With the exponential growth of technology in mobile devices and the rapid expansion of electric vehicles into the market, it appears that the energy density of the state-of-the-art Li-ion batteries (LIBs) cannot satisfy the practical requirements. Sulfur has been one of the best cathode material choices due to its high charge storage (1675 mAh g-1), natural abundance and easy accessibility. In this paper, calculations are performed for different cell design parameters such as the active material loading, the amount/thickness of electrolyte, the sulfur utilization, etc. to predict the energy density of Li-S cells based on liquid, polymeric and ceramic electrolytes. It demonstrates that Li-S battery is most likely to be competitive in gravimetric energy density, but not volumetric energy density, with current technology, when comparing with LIBs. Furthermore, the cells with polymer and thin ceramic electrolytes show promising potential in terms of high gravimetric energy density, especially the cells with the polymer electrolyte. This estimation study of Li-S energy density can be used as a good guidance for controlling the key design parameters in order to get desirable energy density at cell-level.

The response of a spherical tissue-equivalent proportional counter to iron particles from 200-1000 MeV/nucleon

NASA Technical Reports Server (NTRS)

Gersey, B. B.; Borak, T. B.; Guetersloh, S. B.; Zeitlin, C.; Miller, J.; Heilbronn, L.; Murakami, T.; Iwata, Y.; Chatterjee, A. (Principal Investigator)

2002-01-01

The radiation environment on board the space shuttle and the International Space Station includes high-Z and high-energy (HZE) particles that are part of the galactic cosmic radiation (GCR) spectrum. Iron-56 particles are considered to be one of the most biologically important parts of the GCR spectrum. Tissue-equivalent proportional counters (TEPCs) are used as active dosimeters on manned space flights. These TEPCs are further used to determine the average quality factor for each space mission. A TEPC simulating a 1-microm-diameter sphere of tissue was exposed as part of a particle spectrometer to (56)Fe particles at energies from 200-1000 MeV/nucleon. The response of TEPCs in terms of mean lineal energy, y(F), and dose mean lineal energy, y(D), as well as the energy deposited at different impact parameters through the detector was determined for six different incident energies of (56)Fe particles in this energy range. Calculations determined that charged-particle equilibrium was achieved for each of the six experiments. Energy depositions at different impact parameters were calculated using a radial dose distribution model, and the results were compared to experimental data.

The electron trap parameter extraction-based investigation of the relationship between charge trapping and activation energy in IGZO TFTs under positive bias temperature stress

NASA Astrophysics Data System (ADS)

Rhee, Jihyun; Choi, Sungju; Kang, Hara; Kim, Jae-Young; Ko, Daehyun; Ahn, Geumho; Jung, Haesun; Choi, Sung-Jin; Myong Kim, Dong; Kim, Dae Hwan

2018-02-01

Experimental extraction of the electron trap parameters which are associated with charge trapping into gate insulators under the positive bias temperature stress (PBTS) is proposed and demonstrated for the first time in amorphous indium-gallium-zinc-oxide thin-film transistors. This was done by combining the PBTS/recovery time-evolution of the experimentally decomposed threshold voltage shift (ΔVT) and the technology computer-aided design (TCAD)-based charge trapping simulation. The extracted parameters were the trap density (NOT) = 2.6 × 1018 cm-3, the trap energy level (ΔET) = 0.6 eV, and the capture cross section (σ0) = 3 × 10-19 cm2. Furthermore, based on the established TCAD framework, the relationship between the electron trap parameters and the activation energy (Ea) is comprehensively investigated. It is found that Ea increases with an increase in σ0, whereas Ea is independent of NOT. In addition, as ΔET increases, Ea decreases in the electron trapping-dominant regime (low ΔET) and increases again in the Poole-Frenkel (PF) emission/hopping-dominant regime (high ΔET). Moreover, our results suggest that the cross-over ΔET point originates from the complicated temperature-dependent competition between the capture rate and the emission rate. The PBTS bias dependence of the relationship between Ea and ΔET suggests that the electric field dependence of the PF emission-based electron hopping is stronger than that of the thermionic field emission-based electron trapping.

Role of RGO support and irradiation source on the photocatalytic activity of CdS–ZnO semiconductor nanostructures

PubMed Central

Kumar, Suneel; Sharma, Rahul; Sharma, Vipul; Harith, Gurunarayanan; Sivakumar, Vaidyanathan

2016-01-01

Photocatalytic activity of semiconductor nanostructures is gaining much importance in recent years in both energy and environmental applications. However, several parameters play a crucial role in enhancing or suppressing the photocatalytic activity through, for example, modifying the band gap energy positions, influencing the generation and transport of charge carriers and altering the recombination rate. In this regard, physical parameters such as the support material and the irradiation source can also have significant effect on the activity of the photocatalysts. In this work, we have investigated the role of reduced graphene oxide (RGO) support and the irradiation source on mixed metal chalcogenide semiconductor (CdS–ZnO) nanostructures. The photocatalyst material was synthesized using a facile hydrothermal method and thoroughly characterized using different spectroscopic and microscopic techniques. The photocatalytic activity was evaluated by studying the degradation of a model dye (methyl orange, MO) under visible light (only) irradiation and under natural sunlight. The results reveal that the RGO-supported CdS–ZnO photocatalyst performs considerably better than the unsupported CdS–ZnO nanostructures. In addition, both the catalysts perform significantly better under natural sunlight than under visible light (only) irradiation. In essence, this work paves way for tailoring the photocatalytic activity of semiconductor nanostructures. PMID:28144518

Relationship between intracellular pH, metabolic co-factors and caspase-3 activation in cancer cells during apoptosis.

PubMed

Sergeeva, Tatiana F; Shirmanova, Marina V; Zlobovskaya, Olga A; Gavrina, Alena I; Dudenkova, Varvara V; Lukina, Maria M; Lukyanov, Konstantin A; Zagaynova, Elena V

2017-03-01

A complex cascade of molecular events occurs in apoptotic cells but cell-to-cell variability significantly complicates determination of the order and interconnections between different processes. For better understanding of the mechanisms of programmed cell death, dynamic simultaneous registration of several parameters is required. In this paper we used multiparameter fluorescence microscopy to analyze energy metabolism, intracellular pH and caspase-3 activation in living cancer cells in vitro during staurosporine-induced apoptosis. We performed metabolic imaging of two co-factors, NAD(P)H and FAD, and used the genetically encoded pH-indicator SypHer1 and the FRET-based sensor for caspase-3 activity, mKate2-DEVD-iRFP, to visualize these parameters by confocal fluorescence microscopy and two-photon fluorescence lifetime imaging microscopy. The correlation between energy metabolism, intracellular pH and caspase-3 activation and their dynamic changes were studied in CT26 cancer cells during apoptosis. Induction of apoptosis was accompanied by a switch to oxidative phosphorylation, cytosol acidification and caspase-3 activation. We showed that alterations in cytosolic pH and the activation of oxidative phosphorylation are relatively early events associated with the induction of apoptosis. Copyright © 2017 Elsevier B.V. All rights reserved.

Effect of seabuckthorn leaf extracts on circulating energy fuels, lipid peroxidation and antioxidant parameters in rats during exposure to cold, hypoxia and restraint (C-H-R) stress and post stress recovery.

PubMed

Saggu, Shalini; Kumar, Ratan

2008-06-01

The present study was carried out to study mechanism of adaptogenic activity of seabuckthorn leaf extract, administered orally in rats both in single and five doses at a dose of 100mg/kg body weight 30min prior to C-H-R exposure. The efficacy of the extract was studied on circulating energy fuels, lipid peroxidation and anti-oxidant parameters in rats on attaining the T(rec) 23 degrees C during C-H-R exposure and after recovery (T(rec) 37 degrees C) from C-H-R induced hypothermia. Single dose treatment in rats restricted rise in blood malondialdehyde (MDA) levels and decrease in glutathione (GSH) and catalase (CAT) levels. Both single and five doses also restricted the rise in serum free fatty acids (FFA) and lactate dehydrogenase (LDH) levels on attaining T(rec) 23 degrees C during C-H-R exposure, suggesting more efficient utilization of FFA for energy production and better maintained cell membrane permeability. This suggested that the adaptogenic activity of the extract might be due to its anti-oxidative activity, maintained blood glucose levels, better utilization of FFA and improved cell membrane permeability.

Effectiveness, active energy produced by molecular motors, and nonlinear capacitance of the cochlear outer hair cell.

PubMed

Spector, Alexander A

2005-06-01

Cochlear outer hair cells are crucial for active hearing. These cells have a unique form of motility, named electromotility, whose main features are the cell's length changes, active force production, and nonlinear capacitance. The molecular motor, prestin, that drives outer hair cell electromotility has recently been identified. We reveal relationships between the active energy produced by the outer hair cell molecular motors, motor effectiveness, and the capacitive properties of the cell membrane. We quantitatively characterize these relationships by introducing three characteristics: effective capacitance, zero-strain capacitance, and zero-resultant capacitance. We show that zero-strain capacitance is smaller than zero-resultant capacitance, and that the effective capacitance is between the two. It was also found that the differences between the introduced capacitive characteristics can be expressed in terms of the active energy produced by the cell's molecular motors. The effectiveness of the cell and its molecular motors is introduced as the ratio of the motors'active energy to the energy of the externally applied electric field. It is shown that the effectiveness is proportional to the difference between zero-strain and zero-resultant capacitance. We analyze the cell and motor's effectiveness within a broad range of cellular parameters and estimate it to be within a range of 12%-30%.

Thermal behavior and compatibility study of dihydroxylammonium 3,4-dinitraminofurazan

NASA Astrophysics Data System (ADS)

Huang, Haifeng; Shi, Yameng; Yu, Yao; Yang, Jun

2018-04-01

A large number of nitramino-featured energetic salts have been reported and some of them show promising properties. Among them, the dihydroxylammonium 3,4-dinitraminofurazan (HADNAF) is easy to synthesize and shows high calculated detonation performances and acceptable thermal stability. The non-isothermal kinetics parameters of HADNAF including the apparent activation energy (E) and pre-exponential factor (A) of the exothermic decomposition reaction, and activation entropy (ΔS≠), activation enthalpy (ΔH≠), activation Gibbs free energy (ΔG≠) at TP0 of the reaction and the critical temperature of thermal explosion (Tb) were obtained by Kissinger's and Ozawa's method, respectively. Additionally, the compatibility of HADNAF with other materials (e.g. TNT, RDX, HMX, B, Mg) was tested by DSC method.

Accurate potential energy curves, spectroscopic parameters, transition dipole moments, and transition probabilities of 21 low-lying states of the CO+ cation

NASA Astrophysics Data System (ADS)

Xing, Wei; Shi, Deheng; Zhang, Jicai; Sun, Jinfeng; Zhu, Zunlue

2018-05-01

This paper calculates the potential energy curves of 21 Λ-S and 42 Ω states, which arise from the first two dissociation asymptotes of the CO+ cation. The calculations are conducted using the complete active space self-consistent field method, which is followed by the valence internally contracted multireference configuration interaction approach with the Davidson correction. To improve the reliability and accuracy of the potential energy curves, core-valence correlation and scalar relativistic corrections, as well as the extrapolation of potential energies to the complete basis set limit are taken into account. The spectroscopic parameters and vibrational levels are determined. The spin-orbit coupling effect on the spectroscopic parameters and vibrational levels is evaluated. To better study the transition probabilities, the transition dipole moments are computed. The Franck-Condon factors and Einstein coefficients of some emissions are calculated. The radiative lifetimes are determined for a number of vibrational levels of several states. The transitions between different Λ-S states are evaluated. Spectroscopic routines for observing these states are proposed. The spectroscopic parameters, vibrational levels, transition dipole moments, and transition probabilities reported in this paper can be considered to be very reliable and can be used as guidelines for detecting these states in an appropriate spectroscopy experiment, especially for the states that were very difficult to observe or were not detected in previous experiments.

Conformational Entropy as Collective Variable for Proteins.

PubMed

Palazzesi, Ferruccio; Valsson, Omar; Parrinello, Michele

2017-10-05

Many enhanced sampling methods rely on the identification of appropriate collective variables. For proteins, even small ones, finding appropriate descriptors has proven challenging. Here we suggest that the NMR S 2 order parameter can be used to this effect. We trace the validity of this statement to the suggested relation between S 2 and conformational entropy. Using the S 2 order parameter and a surrogate for the protein enthalpy in conjunction with metadynamics or variationally enhanced sampling, we are able to reversibly fold and unfold a small protein and draw its free energy at a fraction of the time that is needed in unbiased simulations. We also use S 2 in combination with the free energy flooding method to compute the unfolding rate of this peptide. We repeat this calculation at different temperatures to obtain the unfolding activation energy.

Development of a New Decision Tree to Rapidly Screen Chemical Estrogenic Activities of Xenopus laevis.

PubMed

Wang, Ting; Li, Weiying; Zheng, Xiaofeng; Lin, Zhifen; Kong, Deyang

2014-02-01

During the last past decades, there is an increasing number of studies about estrogenic activities of the environmental pollutants on amphibians and many determination methods have been proposed. However, these determination methods are time-consuming and expensive, and a rapid and simple method to screen and test the chemicals for estrogenic activities to amphibians is therefore imperative. Herein is proposed a new decision tree formulated not only with physicochemical parameters but also a biological parameter that was successfully used to screen estrogenic activities of the chemicals on amphibians. The biological parameter, CDOCKER interaction energy (Ebinding ) between chemicals and the target proteins was calculated based on the method of molecular docking, and it was used to revise the decision tree formulated by Hong only with physicochemical parameters for screening estrogenic activity of chemicals in rat. According to the correlation between Ebinding of rat and Xenopus laevis, a new decision tree for estrogenic activities in Xenopus laevis is finally proposed. Then it was validated by using the randomly 8 chemicals which can be frequently exposed to Xenopus laevis, and the agreement between the results from the new decision tree and the ones from experiments is generally satisfactory. Consequently, the new decision tree can be used to screen the estrogenic activities of the chemicals, and combinational use of the Ebinding and classical physicochemical parameters can greatly improves Hong's decision tree. Copyright © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Initial PET performance evaluation of a preclinical insert for PET/MRI with digital SiPM technology

PubMed Central

Schug, David; Lerche, Christoph; Weissler, Bjoern; Gebhardt, Pierre; Goldschmidt, Benjamin; Wehner, Jakob; Dueppenbecker, Peter Michael; Salomon, Andre; Hallen, Patrick; Kiessling, Fabian; Schulz, Volkmar

2016-01-01

Abstract Hyperion-IID is a positron emission tomography (PET) insert which allows simultaneous operation in a clinical magnetic resonance imaging (MRI) scanner. To read out the scintillation light of the employed lutetium yttrium orthosilicate crystal arrays with a pitch of 1 mm and 12 mm in height, digital silicon photomultipliers (DPC 3200-22, Philips Digital Photon Counting) (DPC) are used. The basic PET performance in terms of energy resolution, coincidence resolution time (CRT) and sensitivity as a function of the operating parameters, such as the operating temperature, the applied overvoltage, activity and configuration parameters of the DPCs, has been evaluated at system level. The measured energy resolution did not show a large dependency on the selected parameters and is in the range of 12.4%–12.9% for low activity, degrading to  ∼13.6% at an activity of  ∼100 MBq. The CRT strongly depends on the selected trigger scheme (trig) of the DPCs, and we measured approximately 260 ps, 440 ps, 550 ps and 1300 ps for trig 1–4, respectively. The trues sensitivity for a NEMA NU 4 mouse-sized scatter phantom with a 70 mm long tube of activity was dependent on the operating parameters and was determined to be 0.4%–1.4% at low activity. The random fraction stayed below 5% at activity up to 100 MBq and the scatter fraction was evaluated as  ∼6% for an energy window of 411 keV–561 keV and  ∼16% for 250 keV–625 keV. Furthermore, we performed imaging experiments using a mouse-sized hot-rod phantom and a large rabbit-sized phantom. In 2D slices of the reconstructed mouse-sized hot-rod phantom (∅ = 28 mm), the rods were distinguishable from each other down to a rod size of 0.8 mm. There was no benefit from the better CRT of trig 1 over trig 3, where in the larger rabbit-sized phantom (∅ = 114 mm) we were able to show a clear improvement in image quality using the time-of-flight information. The findings will allow system architects—aiming at a similar detector design using DPCs—to make predictions about the design requirements and the performance that can be expected. PMID:26987774

Initial PET performance evaluation of a preclinical insert for PET/MRI with digital SiPM technology

NASA Astrophysics Data System (ADS)

Schug, David; Lerche, Christoph; Weissler, Bjoern; Gebhardt, Pierre; Goldschmidt, Benjamin; Wehner, Jakob; Dueppenbecker, Peter Michael; Salomon, Andre; Hallen, Patrick; Kiessling, Fabian; Schulz, Volkmar

2016-04-01

Hyperion-IID is a positron emission tomography (PET) insert which allows simultaneous operation in a clinical magnetic resonance imaging (MRI) scanner. To read out the scintillation light of the employed lutetium yttrium orthosilicate crystal arrays with a pitch of 1 mm and 12 mm in height, digital silicon photomultipliers (DPC 3200-22, Philips Digital Photon Counting) (DPC) are used. The basic PET performance in terms of energy resolution, coincidence resolution time (CRT) and sensitivity as a function of the operating parameters, such as the operating temperature, the applied overvoltage, activity and configuration parameters of the DPCs, has been evaluated at system level. The measured energy resolution did not show a large dependency on the selected parameters and is in the range of 12.4%-12.9% for low activity, degrading to  ˜13.6% at an activity of  ˜100 MBq. The CRT strongly depends on the selected trigger scheme (trig) of the DPCs, and we measured approximately 260 ps, 440 ps, 550 ps and 1300 ps for trig 1-4, respectively. The trues sensitivity for a NEMA NU 4 mouse-sized scatter phantom with a 70 mm long tube of activity was dependent on the operating parameters and was determined to be 0.4%-1.4% at low activity. The random fraction stayed below 5% at activity up to 100 MBq and the scatter fraction was evaluated as  ˜6% for an energy window of 411 keV-561 keV and  ˜16% for 250 keV-625 keV. Furthermore, we performed imaging experiments using a mouse-sized hot-rod phantom and a large rabbit-sized phantom. In 2D slices of the reconstructed mouse-sized hot-rod phantom (∅ = 28 mm), the rods were distinguishable from each other down to a rod size of 0.8 mm. There was no benefit from the better CRT of trig 1 over trig 3, where in the larger rabbit-sized phantom (∅ = 114 mm) we were able to show a clear improvement in image quality using the time-of-flight information. The findings will allow system architects—aiming at a similar detector design using DPCs—to make predictions about the design requirements and the performance that can be expected.

Thermal degradation of ternary blend films containing PVA/chitosan/vanillin

NASA Astrophysics Data System (ADS)

Kasai, Deepak; Chougale, Ravindra; Masti, Saraswati; Narasgoudar, Shivayogi

2018-05-01

The ternary chitosan/poly (vinyl alcohol)/vanillin blend films were prepared by solution casting method. The influence of equal weight percent of poly (vinyl alcohol) and vanillin on thermal stability of the chitosan blend films were investigated by using thermogravimetric analysis (TGA). The kinetic parameters such as enthalpy (ΔH*), entropy (ΔS*), and Gibbs free energy (ΔG*) in the first and second decomposition steps based on the thermogravimetric data were calculated. The thermal stabilities of the blend films were confirmed by thermodynamic parameters obtained in the activation energies, which indicated that increase in the equal weight percent of PVA/vanillin decreased the thermal stability of the chitosan film.

Apatite U-Pb thermochronolgy applied to complex geological settings - insights from geo/thermochronology and geochemistry

NASA Astrophysics Data System (ADS)

Paul, Andre; Spikings, Richard; Ulyanov, Alexey; Chew, David

2016-04-01

Application of high temperature (>350oC) thermochronology is limited to the U-Pb system of accessory minerals, such as apatite, under the assumption that radiogenic lead is lost to thermally activated volume diffusion into an infinite reservoir. Cochrane et al. (2015) have demonstrated a working example from the northern Andes of South America. Predictions from volume diffusion theory were compared with measured single grain U-Pb date correlated to shortest diffusion radius and in-situ profiles measured by LA-ICP-MS. Results from both techniques were found to be in agreement with predictions from thermally activated, volume diffusion. However, outliers from the ID-TIMS data suggested some complexity, as grains were found to be too young relative to their diffusion radius. Interaction of multiple processes can be responsible for the alteration of apatite U-Pb dates such as: (1) metamorphic (over)growth, (2) fluid aided alteration/recrystallization and (3) metamictization and fracturing of the grain. Further, predictions from volume diffusion rely on the input parameters: (a) diffusivity, (b) activation energy and (c) shortest diffusion radius. Diffusivity and activation energy are potentially influenced by the chemical composition and subsequent changes in crystal structure. Currently there is one value for diffusion parameter and activation energy established for (Durango) apatite (Cherniak et al., 1991). Correlation between diffusivity/activation energy and composition has not been established. We investigate if correlations exist between diffusivity/activation energy and composition by obtaining single grain apatite U-Pb date and chemical compostion and correlating these to their diffusion radius. We test the consistency of apatite closure temperature, by comparing the apatite U-Pb dates with lower temperature thermochronometers such as white mica and K-feldspar Ar/Ar and by petrographic observations. We test if chemical information can be a proxy to identify metamorphic (over)growth and fluid aided alteration/recrystallization. We seek to evaluate if apatite U-Pb thermochronology can be applied to a broad range of rock types and geological environments or if limitations must be drawn.

Dissociation Energetics and Mechanisms of Leucine Enkephalin (M + H)+ and (2M + X)+ Ions (X = H, Li, Na, K, and Rb) Measured by Blackbody Infrared Radiative Dissociation

PubMed Central

Schnier, Paul D.; Price, William D.; Strittmatter, Eric F.; Williams, Evan R.

2005-01-01

The dissociation kinetics of protonated leucine enkephalin and its proton and alkali metal bound dimers were investigated by blackbody infrared radiative dissociation in a Fourier-transform mass spectrometer. From the temperature dependence of the unimolecular dissociation rate constants, Arrhenius activation parameters in the zero-pressure limit are obtained. Protonated leucine enkephalin dissociates to form b4 and (M−H2O)+ ions with an average activation energy (Ea) of 1.1 eV and an A factor of 1010.5 s−1. The value of the A factor indicates that these dissociation processes are rearrangements. The b4 ions subsequently dissociate to form a4 ions via a process with a relatively high activation energy (1.3 eV), but one that is entropically favored. For the cationized dimers, the thermal stability decreases with increasing cation size, consistent with a simple electrostatic interaction in these noncovalent ion–molecule complexes. The Ea and A factors are indistinguishable within experimental error with values of ~1.5 eV and 1017 s−1, respectively. Although not conclusive, results from master equation modeling indicate that all these BIRD processes, except for b4 → a4, are in the rapid energy exchange limit. In this limit, the internal energy of the precursor ion population is given by a Boltzmann distribution and information about the energetics and dynamics of the reaction are obtained directly from the measured Arrhenius parameters. PMID:16554908

Removal of lead (II) ions from aqueous solutions onto activated carbon derived from waste biomass.

PubMed

Erdem, Murat; Ucar, Suat; Karagöz, Selhan; Tay, Turgay

2013-01-01

The removal of lead (II) ions from aqueous solutions was carried out using an activated carbon prepared from a waste biomass. The effects of various parameters such as pH, contact time, initial concentration of lead (II) ions, and temperature on the adsorption process were investigated. Energy Dispersive X-Ray Spectroscopy (EDS) analysis after adsorption reveals the accumulation of lead (II) ions onto activated carbon. The Langmuir and Freundlich isotherm models were applied to analyze equilibrium data. The maximum monolayer adsorption capacity of activated carbon was found to be 476.2 mg g⁻¹. The kinetic data were evaluated and the pseudo-second-order equation provided the best correlation. Thermodynamic parameters suggest that the adsorption process is endothermic and spontaneous.

Seismic energy data analysis of Merapi volcano to test the eruption time prediction using materials failure forecast method (FFM)

NASA Astrophysics Data System (ADS)

Anggraeni, Novia Antika

2015-04-01

The test of eruption time prediction is an effort to prepare volcanic disaster mitigation, especially in the volcano's inhabited slope area, such as Merapi Volcano. The test can be conducted by observing the increase of volcanic activity, such as seismicity degree, deformation and SO2 gas emission. One of methods that can be used to predict the time of eruption is Materials Failure Forecast Method (FFM). Materials Failure Forecast Method (FFM) is a predictive method to determine the time of volcanic eruption which was introduced by Voight (1988). This method requires an increase in the rate of change, or acceleration of the observed volcanic activity parameters. The parameter used in this study is the seismic energy value of Merapi Volcano from 1990 - 2012. The data was plotted in form of graphs of seismic energy rate inverse versus time with FFM graphical technique approach uses simple linear regression. The data quality control used to increase the time precision employs the data correlation coefficient value of the seismic energy rate inverse versus time. From the results of graph analysis, the precision of prediction time toward the real time of eruption vary between -2.86 up to 5.49 days.

Seismic energy data analysis of Merapi volcano to test the eruption time prediction using materials failure forecast method (FFM)

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

Anggraeni, Novia Antika, E-mail: novia.antika.a@gmail.com

The test of eruption time prediction is an effort to prepare volcanic disaster mitigation, especially in the volcano’s inhabited slope area, such as Merapi Volcano. The test can be conducted by observing the increase of volcanic activity, such as seismicity degree, deformation and SO2 gas emission. One of methods that can be used to predict the time of eruption is Materials Failure Forecast Method (FFM). Materials Failure Forecast Method (FFM) is a predictive method to determine the time of volcanic eruption which was introduced by Voight (1988). This method requires an increase in the rate of change, or acceleration ofmore » the observed volcanic activity parameters. The parameter used in this study is the seismic energy value of Merapi Volcano from 1990 – 2012. The data was plotted in form of graphs of seismic energy rate inverse versus time with FFM graphical technique approach uses simple linear regression. The data quality control used to increase the time precision employs the data correlation coefficient value of the seismic energy rate inverse versus time. From the results of graph analysis, the precision of prediction time toward the real time of eruption vary between −2.86 up to 5.49 days.« less

Activation energy for diamond growth from the carbon-hydrogen gas system at low substrate temperatures

NASA Astrophysics Data System (ADS)

Stiegler, J.; Lang, T.; von Kaenel, Y.; Michler, J.; Blank, E.

1997-01-01

The growth kinetics of diamond films deposited at low substrate temperatures (600-400 °C) from the carbon-hydrogen gas system have been studied. When the substrate temperature alone was varied, independently of all other process parameters in the microwave plasma reactor, an activation energy in the order of 7 kcal/mol was observed. This value did not change with different carbon concentrations in hydrogen. It is supposed that growth kinetics in this temperature range are controlled by a single chemical reaction, probably the abstraction of surface bonded hydrogen by gas phase atomic hydrogen.

Incorporation of nonlinear thermorheological complexity into the phenomenologies of structural relaxation.

PubMed

Hodge, Ian M

2005-09-22

A distribution of activation energies is introduced into the nonlinear Adam-Gibbs ("Hodge-Scherer") phenomenology for structural relaxation. The resulting dependencies of the stretched exponential beta parameter on thermodynamic temperature and fictive temperature (nonlinear thermorheological complexity) are derived. No additional adjustable parameters are introduced, and contact is made with the predictions of the random first-order transition theory of aging of Lubchenko and Wolynes [J. Chem. Physics121, 2852 (2004)].

4U 1909+07: A Hidden Pearl

NASA Technical Reports Server (NTRS)

Kreykenbohm, Ingo; Fuerst, Felix; Barragan, Laura; Wilms, Joern; Rothschild, Richard E.; Suchy, Slawomir; Pottschmidt, Katja

2010-01-01

We present a detailed spectral and timing analysis of the High Mass X-ray Binary (HMXB) 4U 1909+07 with INTEGRAL and RXTE. 4U 1909+07 is a persistent accreting X-ray pulsar with a period of approximately 605 s. The period changes erratically consistent with a random walk expected for a wind accreting system. INTEGRAL detects the source with an average of 2.4 cps (corresponding to 15 mCrab), but sometimes exhibits flaring activity up to 50 cps (i.e. 300 mCrab). The strongly energy dependent pulse profile shows a double peaked structure at low energies and only a single narrow peak at energies above 20 keV. The phase averaged spectrum is well described by a powerlaw modified at higher energies by an exponential cutoff and photoelectric absorption at low energies. In addition at 6.4 keV a strong iron fluorescence line and at lower energies a black body component are present. We performed phase resolved spectroscopy to study the pulse phase dependence of the spectral parameters: while most spectral parameters are constant within uncertainties, the blackbody normalization and the cutoff folding energy vary strongly with phase.

Dependence of cerebral-cortex activation in women on environmental factors

NASA Astrophysics Data System (ADS)

Pavlov, K. I.; Mukhin, V. N.; Kamenskaya, V. G.; Klimenko, V. M.

2016-12-01

The investigation of female physiological reactions to different meteorological conditions and space weather is relevant, since there are little experimental findings in this field. The purpose of this work is to determine how the level of cerebral-cortex activity in women depends on the meteorological and cosmophysical parameters of weather and space processes. We studied electroencephalograms (EEGs) recorded at rest in the sitting position and with eyes closed. We performed four series of measurements of brain bioelectrical activity from February to June 2013. We found that the level of cortical activity recorded by EEG changed significantly during these 6 months. Significant differences were detected between the cortical activity and the parameters of weather and space processes; namely, an increase in the air temperature and a decrease in the wind speed and cosmic-ray energy result in a decrease in the activity rate of the right occipital lobe.

Atomistic modeling of grain boundary behavior under shear conditions in magnesium and magnesium-based binary alloys

NASA Astrophysics Data System (ADS)

Nahhas, M. K.; Groh, S.

2018-02-01

In this study, the structure, the energetic, and the strength of a { 10 1 bar 1 } < 11 2 bar 0 > symmetric tilt grain boundary in magnesium and magnesium binary alloys were analyzed in the framework of (semi-)empirical potentials. Following a systematic investigation of the transferability and accuracy of the interatomic potentials, atomistic calculations of the grain boundary energy, the grain boundary sliding energy, and the grain boundary strength were performed in pure magnesium and in binary MgX alloys (X = Al, Ca, Gd, Li, Sn, Y, Ag, Nd, and Pb). The data gained in this study were analyzed to identify the most critical material parameters controlling the strength of the grain boundary, and their consequence on atomic shuffling motions occurring at the grain boundary. From the methodology perspective, the role of in-plane and out-of plane relaxation on the grain boundary sliding energy curves was investigated. In pure magnesium, the results showed that in-plane relaxation is critical in activating b2{ 10 1 bar 1 } twinning dislocation resulting in grain boundary migration. In the alloy systems, however, grain boundary migration was disabled as a consequence of the pinning of the grain boundary by segregated elements. Finally, while the grain boundary energy, the shape of the grain boundary sliding energy curves, and the grain boundary sliding energy are critical parameters controlling the grain boundary strength in pure magnesium, only the grain boundary energy and the segregation energy of the alloying elements at the grain boundary were identified as critical material parameters in the alloys system.

The temperature-dependent diffusion coefficient of helium in zirconium carbide studied with first-principles calculations

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

Yang, Xiao-Yong; Lu, Yong; Zhang, Ping, E-mail: zhang-ping@iapcm.ac.cn

2015-04-28

The temperature-dependent diffusion coefficient of interstitial helium in zirconium carbide (ZrC) matrix is calculated based on the transition state theory. The microscopic parameters in the activation energy and prefactor are obtained from first-principles total energy and phonon frequency calculations including the all atoms. The obtained activation energy is 0.78 eV, consistent with experimental value. Besides, we evaluated the influence of C and Zr vacancies as the perturbation on helium diffusion, and found the C vacancy seems to confine the mobility of helium and the Zr vacancy promotes helium diffusion in some extent. These results provide a good reference to understand themore » behavior of helium in ZrC matrix.« less

Reactivity of bromoalkanes in reactions of coordinated molecular decay

NASA Astrophysics Data System (ADS)

Pokidova, T. S.; Denisov, E. T.

2016-09-01

The results from experiments on reactions of the coordinated molecular decay of RBr bromoalkanes on olefin and HBr are analyzed using the model of intersecting parabolas (MIP). Kinetic parameters within the MIP are calculated from the experimental data, enabling calculation of the activation energies ( E) and rate constants ( k) of such reactions, based on the enthalphy of the reaction and the MIP algorithms. The factors affecting the E of the RBr decay reaction are established: the enthalphy of the reaction, triplet repulsion, the energy of radical R• stabilization, the presence of a π bond adjacent to the reaction center, and the dipole-dipole interaction of polar groups. The energy spectrum of the partial energies of activation is constructed for the reaction of coordinated molecular decay of RBr, and the E and k of inverse addition reactions are evaluated.

Förster-type energy transfer as a probe for changes in local fluctuations of the protein matrix.

PubMed

Somogyi, B; Matkó, J; Papp, S; Hevessy, J; Welch, G R; Damjanovich, S

1984-07-17

Much evidence, on both theoretical and experimental sides, indicates the importance of local fluctuations (in energy levels, conformational substates, etc.) of the macromolecular matrix in the biological activity of proteins. We describe here a novel application of the Förster-type energy-transfer process capable of monitoring changes both in local fluctuations and in conformational states of macromolecules. A new energy-transfer parameter, f, is defined as an average transfer efficiency, [E], normalized by the actual average quantum efficiency of the donor fluorescence, [phi D]. A simple oscillator model (for a one donor-one acceptor system) is presented to show the sensitivity of this parameter to changes in amplitudes of local fluctuations. The different modes of averaging (static, dynamic, and intermediate cases) occurring for a given value of the average transfer rate, [kt], and the experimental requirements as well as limitations of the method are also discussed. The experimental tests were performed on the ribonuclease T1-pyridoxamine 5'-phosphate conjugate (a one donor-one acceptor system) by studying the change of the f parameter with temperature, an environmental parameter expectedly perturbing local fluctuations of proteins. The parameter f increased with increasing temperature as expected on the basis of the oscillator model, suggesting that it really reflects changes of fluctuation amplitudes (significant changes in the orientation factor, k2, as well as in the spectral properties of the fluorophores can be excluded by anisotropy measurements and spectral investigations). Possibilities of the general applicability of the method are also discussed.

Effect of experimental and sample factors on dehydration kinetics of mildronate dihydrate: mechanism of dehydration and determination of kinetic parameters.

PubMed

Bērziņš, Agris; Actiņš, Andris

2014-06-01

The dehydration kinetics of mildronate dihydrate [3-(1,1,1-trimethylhydrazin-1-ium-2-yl)propionate dihydrate] was analyzed in isothermal and nonisothermal modes. The particle size, sample preparation and storage, sample weight, nitrogen flow rate, relative humidity, and sample history were varied in order to evaluate the effect of these factors and to more accurately interpret the data obtained from such analysis. It was determined that comparable kinetic parameters can be obtained in both isothermal and nonisothermal mode. However, dehydration activation energy values obtained in nonisothermal mode showed variation with conversion degree because of different rate-limiting step energy at higher temperature. Moreover, carrying out experiments in this mode required consideration of additional experimental complications. Our study of the different sample and experimental factor effect revealed information about changes of the dehydration rate-limiting step energy, variable contribution from different rate limiting steps, as well as clarified the dehydration mechanism. Procedures for convenient and fast determination of dehydration kinetic parameters were offered. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

Recombination activity of light-activated copper defects in p-type silicon studied by injection- and temperature-dependent lifetime spectroscopy

NASA Astrophysics Data System (ADS)

Inglese, Alessandro; Lindroos, Jeanette; Vahlman, Henri; Savin, Hele

2016-09-01

The presence of copper contamination is known to cause strong light-induced degradation (Cu-LID) in silicon. In this paper, we parametrize the recombination activity of light-activated copper defects in terms of Shockley—Read—Hall recombination statistics through injection- and temperature dependent lifetime spectroscopy (TDLS) performed on deliberately contaminated float zone silicon wafers. We obtain an accurate fit of the experimental data via two non-interacting energy levels, i.e., a deep recombination center featuring an energy level at Ec-Et=0.48 -0.62 eV with a moderate donor-like capture asymmetry ( k =1.7 -2.6 ) and an additional shallow energy state located at Ec-Et=0.1 -0.2 eV , which mostly affects the carrier lifetime only at high-injection conditions. Besides confirming these defect parameters, TDLS measurements also indicate a power-law temperature dependence of the capture cross sections associated with the deep energy state. Eventually, we compare these results with the available literature data, and we find that the formation of copper precipitates is the probable root cause behind Cu-LID.

From boiling point to glass transition temperature: transport coefficients in molecular liquids follow three-parameter scaling.

PubMed

Schmidtke, B; Petzold, N; Kahlau, R; Hofmann, M; Rössler, E A

2012-10-01

The phenomenon of the glass transition is an unresolved problem in condensed matter physics. Its prominent feature, the super-Arrhenius temperature dependence of the transport coefficients, remains a challenge to be described over the full temperature range. For a series of molecular glass formers, we combined τ(T) collected from dielectric spectroscopy and dynamic light scattering covering a range 10(-12) s < τ(T) < 10(2) s. Describing the dynamics in terms of an activation energy E(T), we distinguish a high-temperature regime characterized by an Arrhenius law with a constant activation energy E(∞) and a low-temperature regime for which E(coop)(T) ≡ E(T)-E(∞) increases exponentially while cooling. A scaling is introduced, specifically E(coop)(T)/E(∞) [proportionality] exp[-λ(T/T(A)-1)], where λ is a fragility parameter and T(A) a reference temperature proportional to E(∞). In order to describe τ(T) still the attempt time τ(∞) has to be specified. Thus, a single interaction parameter E(∞) describing the high-temperature regime together with λ controls the temperature dependence of low-temperature cooperative dynamics.

Kinetic compensation effect in the thermal desorption of a binary gas mixture

NASA Astrophysics Data System (ADS)

Zuniga-Hansen, Nayeli; Silbert, Leonardo E.; Calbi, M. Mercedes

The kinetic compensation effect, observed in many different areas of science, is the systematic change in the magnitudes of the Arrhenius parameters Ea, the energy of activation and ν, the preexponential factor, as a response to external perturbing parameters. Its existence continues to be debated as it has not been explicitly demonstrated and its physical origins remain poorly understood. As part of a systematic study of different factors that alter the energy of activation during thermal desorption, we have performed numerical studies of the effects of adsorbate-adsorbate interactions on the Arrhenius parameters, as well as the effects of changes in surface morphology. Our results have consistently shown that there is a partial compensation effect between Ea and lnν and a tendency towards isokinetic equilibrium when the system transitions from an interacting to a non-interacting regime. In the present work we study the effects of the presence of two different chemical species. With our systematic study we expect to provide a deeper insight into the microscopic events that originate compensation effects, not only in our system, but also in other fields where these effects have been reported.

Multifractal and wavelet analysis of epileptic seizures

NASA Astrophysics Data System (ADS)

Dick, Olga E.; Mochovikova, Irina A.

The aim of the study is to develop quantitative parameters of human electroencephalographic (EEG) recordings with epileptic seizures. We used long-lasting recordings from subjects with epilepsy obtained as part of their clinical investigation. The continuous wavelet transform of the EEG segments and the wavelet-transform modulus maxima method enable us to evaluate the energy spectra of the segments, to fin lines of local maximums, to gain the scaling exponents and to construct the singularity spectra. We have shown that the significant increase of the global energy with respect to background and the redistribution of the energy over the frequency range are observed in the patterns involving the epileptic activity. The singularity spectra expand so that the degree of inhomogenety and multifractality of the patterns enhances. Comparing the results gained for the patterns during different functional probes such as open and closed eyes or hyperventilation we demonstrate the high sensitivity of the analyzed parameters (the maximal global energy, the width and asymmetry of the singularity spectrum) for detecting the epileptic patterns.

Evolution of structure and reactivity in a series of iconic carbenes.

PubMed

Zhang, Min; Moss, Robert A; Thompson, Jack; Krogh-Jespersen, Karsten

2012-01-20

We present experimental activation parameters for the reactions of six carbenes (CCl(2), CClF, CF(2), ClCOMe, FCOMe, and (MeO)(2)C) with six alkenes (tetramethylethylene, cyclohexene, 1-hexene, methyl acrylate, acrylonitrile, and α-chloroacrylonitrile). Activation energies range from -1 kcal/mol for the addition of CCl(2) to tetramethylethylene to 11 kcal/mol for the addition of FCOMe to acrylonitrile. A generally satisfactory analysis of major trends in the evolution of carbenic structure and reactivity is afforded by qualitative applications of frontier molecular orbital theory, although the observed entropies of activation appear to fall in a counterintuitive pattern. An analysis of computed cyclopropanation transition state parameters reveals significant nucleophilic selectivity of (MeO)(2)C toward α-chloroacrylonitrile.

Protective features of resveratrol on human spermatozoa cryopreservation may be mediated through 5' AMP-activated protein kinase activation.

PubMed

Shabani Nashtaei, M; Amidi, F; Sedighi Gilani, M A; Aleyasin, A; Bakhshalizadeh, Sh; Naji, M; Nekoonam, S

2017-03-01

Biochemical and physical modifications during the freeze-thaw process adversely influence the restoration of energy-dependent sperm functions required for fertilization. Resveratrol, a phytoalexin, has been introduced to activate 5' AMP-activated protein kinase which is a cell energy sensor and a cell metabolism regulator. The cryoprotection of resveratrol on sperm cryoinjury via activation of AMP-activated protein kinase also remains to be elucidated. Our aim, thus, was to investigate: (i) the presence and intracellular localization of AMP-activated protein kinase protein; (ii) whether resveratrol may exert a protective effect on certain functional properties of fresh and post-thaw human spermatozoa through modulation of AMP-activated protein kinase. Spermatozoa from normozoospermic men were incubated with or without different concentrations of Compound C as an AMP-activated protein kinase inhibitor or resveratrol as an AMP-activated protein kinase activator for different lengths of time and were then cryopreserved. AMP-activated protein kinase is expressed essentially in the entire flagellum and the post-equatorial region. Viability of fresh spermatozoa was not significantly affected by the presence of Compound C or resveratrol. However, although Compound C caused a potent inhibition of spermatozoa motility parameters, resveratrol did not induce negative effect, except a significant reduction in motility at 25 μm for 1 h. Furthermore, resveratrol significantly increased AMP-activated protein kinase phosphorylation and mitochondrial membrane potential and decreased reactive oxygen species and apoptosis-like changes in frozen-thawed spermatozoa. Nevertheless, it was not able to compensate decreased sperm viability and motility parameters following cryopreservation. In contrast, Compound C showed opposite effects to resveratrol on AMP-activated protein kinase phosphorylation, reactive oxygen species, apoptosis-like changes, mitochondrial membrane potential, and motility parameters. These findings, although preliminary, suggest that resveratrol-induced improvement of cryopreserved sperm functions may be mediated through activation of AMP-activated protein kinase, indicating the importance of AMP-activated protein kinase activity for human spermatozoa functions. Further investigations are required to elucidate the mechanism by which resveratrol ameliorates oxidative stress-mediated damages in an AMP-activated protein kinase-dependent mechanism. © 2016 American Society of Andrology and European Academy of Andrology.

Multi-parameter optimization of piezoelectric actuators for multi-mode active vibration control of cylindrical shells

NASA Astrophysics Data System (ADS)

Hu, K. M.; Li, Hua

2018-07-01

A novel technique for the multi-parameter optimization of distributed piezoelectric actuators is presented in this paper. The proposed method is designed to improve the performance of multi-mode vibration control in cylindrical shells. The optimization parameters of actuator patch configuration include position, size, and tilt angle. The modal control force of tilted orthotropic piezoelectric actuators is derived and the multi-parameter cylindrical shell optimization model is established. The linear quadratic energy index is employed as the optimization criterion. A geometric constraint is proposed to prevent overlap between tilted actuators, which is plugged into a genetic algorithm to search the optimal configuration parameters. A simply-supported closed cylindrical shell with two actuators serves as a case study. The vibration control efficiencies of various parameter sets are evaluated via frequency response and transient response simulations. The results show that the linear quadratic energy indexes of position and size optimization decreased by 14.0% compared to position optimization; those of position and tilt angle optimization decreased by 16.8%; and those of position, size, and tilt angle optimization decreased by 25.9%. It indicates that, adding configuration optimization parameters is an efficient approach to improving the vibration control performance of piezoelectric actuators on shells.

Influence of the "surface effect" on the segregation parameters of S in Fe(100): A multi-scale modelling and Auger Electron Spectroscopy study

NASA Astrophysics Data System (ADS)

Barnard, P. E.; Terblans, J. J.; Swart, H. C.

2015-12-01

The article takes a new look at the process of atomic segregation by considering the influence of surface relaxation on the segregation parameters; the activation energy (Q), segregation energy (ΔG), interaction parameter (Ω) and the pre-exponential factor (D0). Computational modelling, namely Density Functional Theory (DFT) and the Modified Darken Model (MDM) in conjunction with Auger Electron Spectroscopy (AES) was utilized to study the variation of the segregation parameters for S in the surface region of Fe(100). Results indicate a variation in each of the segregation parameters as a function of the atomic layer under consideration. Values of the segregation parameters varied more dramatically as the surface layer is approached, with atomic layer 2 having the largest deviations in comparison to the bulk values. This atomic layer had the highest Q value and formed the rate limiting step for the segregation of S towards the Fe(100) surface. It was found that the segregation process is influenced by two sets of segregation parameters, those of the surface region formed by atomic layer 2, and those in the bulk material. This article is the first to conduct a full scale investigation on the influence of surface relaxation on segregation and labelled it the "surface effect".

Developing force fields when experimental data is sparse: AMBER/GAFF-compatible parameters for inorganic and alkyl oxoanions.

PubMed

Kashefolgheta, Sadra; Vila Verde, Ana

2017-08-09

We present a set of Lennard-Jones parameters for classical, all-atom models of acetate and various alkylated and non-alkylated forms of sulfate, sulfonate and phosphate ions, optimized to reproduce their interactions with water and with the physiologically relevant sodium, ammonium and methylammonium cations. The parameters are internally consistent and are fully compatible with the Generalized Amber Force Field (GAFF), the AMBER force field for proteins, the accompanying TIP3P water model and the sodium model of Joung and Cheatham. The parameters were developed primarily relying on experimental information - hydration free energies and solution activity derivatives at 0.5 m concentration - with ab initio, gas phase calculations being used for the cases where experimental information is missing. The ab initio parameterization scheme presented here is distinct from other approaches because it explicitly connects gas phase binding energies to intermolecular interactions in solution. We demonstrate that the original GAFF/AMBER parameters often overestimate anion-cation interactions, leading to an excessive number of contact ion pairs in solutions of carboxylate ions, and to aggregation in solutions of divalent ions. GAFF/AMBER parameters lead to excessive numbers of salt bridges in proteins and of contact ion pairs between sodium and acidic protein groups, issues that are resolved by using the optimized parameters presented here.

Understanding limiting factors in thick electrode performance as applied to high energy density Li-ion batteries

DOE PAGES

Du, Zhijia; Wood, David L.; Daniel, Claus; ...

2017-02-09

We present that increasing electrode thickness, thus increasing the volume ratio of active materials, is one effective method to enable the development of high energy density Li-ion batteries. In this study, an energy density versus power density optimization of LiNi 0.8Co 0.15Al 0.05O 2 (NCA)/graphite cell stack was conducted via mathematical modeling. The energy density was found to have a maximum point versus electrode thickness (critical thickness) at given discharging C rates. The physics-based factors that limit the energy/power density of thick electrodes were found to be increased cell polarization and underutilization of active materials. The latter is affected bymore » Li-ion diffusion in active materials and Li-ion depletion in the electrolyte phase. Based on those findings, possible approaches were derived to surmount the limiting factors. Finally, the improvement of the energy–power relationship in an 18,650 cell was used to demonstrate how to optimize the thick electrode parameters in cell engineering.« less

MITOCHONDRIAL BIOENERGETICS FOLLOWING OZONE EXPOSURE IN SEDENTARY VERSUS ACTIVE LIFESTYLE OF FEMALE LONG-EVANS RATS

EPA Science Inventory

Mitochondria are key regulators of cellular energy homeostasis and may play a key role in the mechanisms of neurodegenerative disorders and chemical induced neurotoxicity. However, mitochondrial bioenergetic parameters have not been systematically evaluated within multiple brain ...

Binding free energy calculations to rationalize the interactions of huprines with acetylcholinesterase.

PubMed

Nascimento, Érica C M; Oliva, Mónica; Andrés, Juan

2018-05-01

In the present study, the binding free energy of a family of huprines with acetylcholinesterase (AChE) is calculated by means of the free energy perturbation method, based on hybrid quantum mechanics and molecular mechanics potentials. Binding free energy calculations and the analysis of the geometrical parameters highlight the importance of the stereochemistry of huprines in AChE inhibition. Binding isotope effects are calculated to unravel the interactions between ligands and the gorge of AChE. New chemical insights are provided to explain and rationalize the experimental results. A good correlation with the experimental data is found for a family of inhibitors with moderate differences in the enzyme affinity. The analysis of the geometrical parameters and interaction energy per residue reveals that Asp72, Glu199, and His440 contribute significantly to the network of interactions between active site residues, which stabilize the inhibitors in the gorge. It seems that a cooperative effect of the residues of the gorge determines the affinity of the enzyme for these inhibitors, where Asp72, Glu199, and His440 make a prominent contribution.

Binding free energy calculations to rationalize the interactions of huprines with acetylcholinesterase

NASA Astrophysics Data System (ADS)

Nascimento, Érica C. M.; Oliva, Mónica; Andrés, Juan

2018-03-01

In the present study, the binding free energy of a family of huprines with acetylcholinesterase (AChE) is calculated by means of the free energy perturbation method, based on hybrid quantum mechanics and molecular mechanics potentials. Binding free energy calculations and the analysis of the geometrical parameters highlight the importance of the stereochemistry of huprines in AChE inhibition. Binding isotope effects are calculated to unravel the interactions between ligands and the gorge of AChE. New chemical insights are provided to explain and rationalize the experimental results. A good correlation with the experimental data is found for a family of inhibitors with moderate differences in the enzyme affinity. The analysis of the geometrical parameters and interaction energy per residue reveals that Asp72, Glu199, and His440 contribute significantly to the network of interactions between active site residues, which stabilize the inhibitors in the gorge. It seems that a cooperative effect of the residues of the gorge determines the affinity of the enzyme for these inhibitors, where Asp72, Glu199, and His440 make a prominent contribution.

Binding free energy calculations to rationalize the interactions of huprines with acetylcholinesterase

NASA Astrophysics Data System (ADS)

Nascimento, Érica C. M.; Oliva, Mónica; Andrés, Juan

2018-05-01

In the present study, the binding free energy of a family of huprines with acetylcholinesterase (AChE) is calculated by means of the free energy perturbation method, based on hybrid quantum mechanics and molecular mechanics potentials. Binding free energy calculations and the analysis of the geometrical parameters highlight the importance of the stereochemistry of huprines in AChE inhibition. Binding isotope effects are calculated to unravel the interactions between ligands and the gorge of AChE. New chemical insights are provided to explain and rationalize the experimental results. A good correlation with the experimental data is found for a family of inhibitors with moderate differences in the enzyme affinity. The analysis of the geometrical parameters and interaction energy per residue reveals that Asp72, Glu199, and His440 contribute significantly to the network of interactions between active site residues, which stabilize the inhibitors in the gorge. It seems that a cooperative effect of the residues of the gorge determines the affinity of the enzyme for these inhibitors, where Asp72, Glu199, and His440 make a prominent contribution.

Does increased exercise or physical activity alter ad-libitum daily energy intake or macronutrient composition in healthy adults? A systematic review.

PubMed

Donnelly, Joseph E; Herrmann, Stephen D; Lambourne, Kate; Szabo, Amanda N; Honas, Jeffery J; Washburn, Richard A

2014-01-01

The magnitude of the negative energy balance induced by exercise may be reduced due to compensatory increases in energy intake. TO ADDRESS THE QUESTION: Does increased exercise or physical activity alter ad-libitum daily energy intake or macronutrient composition in healthy adults? PubMed and Embase were searched (January 1990-January 2013) for studies that presented data on energy and/or macronutrient intake by level of exercise, physical activity or change in response to exercise. Ninety-nine articles (103 studies) were included. Primary source articles published in English in peer-reviewed journals. Articles that presented data on energy and/or macronutrient intake by level of exercise or physical activity or changes in energy or macronutrient intake in response to acute exercise or exercise training in healthy (non-athlete) adults (mean age 18-64 years). Articles were grouped by study design: cross-sectional, acute/short term, non-randomized, and randomized trials. Considerable heterogeneity existed within study groups for several important study parameters, therefore a meta-analysis was considered inappropriate. Results were synthesized and presented by study design. No effect of physical activity, exercise or exercise training on energy intake was shown in 59% of cross-sectional studies (n = 17), 69% of acute (n = 40), 50% of short-term (n = 10), 92% of non-randomized (n = 12) and 75% of randomized trials (n = 24). Ninety-four percent of acute, 57% of short-term, 100% of non-randomized and 74% of randomized trials found no effect of exercise on macronutrient intake. Forty-six percent of cross-sectional trials found lower fat intake with increased physical activity. The literature is limited by the lack of adequately powered trials of sufficient duration, which have prescribed and measured exercise energy expenditure, or employed adequate assessment methods for energy and macronutrient intake. We found no consistent evidence that increased physical activity or exercise effects energy or macronutrient intake.

Efficient Nd3+→Yb3+ energy transfer processes in high phonon energy phosphate glasses for 1.0 μm Yb3+ laser

NASA Astrophysics Data System (ADS)

Rivera-López, F.; Babu, P.; Basavapoornima, Ch.; Jayasankar, C. K.; Lavín, V.

2011-06-01

Efficient Nd3+→Yb3+ resonant and phonon-assisted energy transfer processes have been observed in phosphate glasses and have been studied using steady-state and time-resolved optical spectroscopies. Results indicate that the energy transfer occurs via nonradiative electric dipole-dipole processes and is enhanced with the concentration of Yb3+ acceptor ions, having an efficiency higher than 75% for the glass doped with 1 mol% of Nd2O3 and 4 mol% of Yb2O3. The luminescence decay curves show a nonexponential character and the energy transfer microscopic parameter calculated with the Inokuti-Hirayama model gives a value of 240 × 10-40 cm6 s-1, being one of the highest reported in the literature for Nd3+-Yb3+ co-doped matrices. From the steady-state experimental absorption and emission cross-sections, a general expression for estimating the microscopic energy transfer parameter is proposed based upon the theoretical methods developed by Miyakawa and Dexter and Tarelho et al. This expression takes into account all the resonant mechanisms involved in an energy transfer processes together with other phonon-assisted nonvanishing overlaps. The value of the Nd3+→Yb3+ energy transfer microscopic parameter has been calculated to be 200 × 10-40 cm6 s-1, which is in good agreement with that obtained from the Inokuti-Hirayama fitting. These results show the importance of the nonresonant phonon-assisted Nd3+→Yb3+ energy transfer processes and the great potential of these glasses as active matrices in the development of multiple-pump-channel Yb3+ lasers.

Enhancement of human skin facial revitalization by moringa leaf extract cream.

PubMed

Ali, Atif; Akhtar, Naveed; Chowdhary, Farzana

2014-05-01

Solar ultraviolet exposure is the main cause of skin damage by initiation of reactive oxygen species (ROS) leading to skin collagen imperfection and eventually skin roughness. This can be reduced by proper revitalization of skin enhancing younger and healthier appearance. To evaluate the skin facial revitalization effect of a cream formulation containing the Moringa oleifera leaf extract on humans. Active cream containing 3% of the concentrated extract of moringa leaves was developed by entrapping in the inner aqueous phase of cream. Base contained no extract. Skin revitalizing parameters, i.e. surface, volume, texture parameters and surface evaluation of the living skin (SELS) were assessed comparatively after application of the base and active cream on human face using Visioscan(®) VC 98 for a period of 3 months. Surface values were increased by the base and decreased by the active cream. Effects produced for the base and active cream were significant and insignificant, respectively, as observed in the case of surface. Unlike the base, the active cream showed significant effects on skin volume, texture parameters (energy, variance and contrast) and SELS, SEr (skin roughness), SEsc (skin scaliness), SEsm (skin smoothness), and SEw (skin wrinkles) parameters. The results suggested that moringa cream enhances skin revitalization effect and supports anti-aging skin effects.

Enhancement of human skin facial revitalization by moringa leaf extract cream

PubMed Central

Akhtar, Naveed; Chowdhary, Farzana

2014-01-01

Introduction Solar ultraviolet exposure is the main cause of skin damage by initiation of reactive oxygen species (ROS) leading to skin collagen imperfection and eventually skin roughness. This can be reduced by proper revitalization of skin enhancing younger and healthier appearance. Aim To evaluate the skin facial revitalization effect of a cream formulation containing the Moringa oleifera leaf extract on humans. Material and methods Active cream containing 3% of the concentrated extract of moringa leaves was developed by entrapping in the inner aqueous phase of cream. Base contained no extract. Skin revitalizing parameters, i.e. surface, volume, texture parameters and surface evaluation of the living skin (SELS) were assessed comparatively after application of the base and active cream on human face using Visioscan® VC 98 for a period of 3 months. Results Surface values were increased by the base and decreased by the active cream. Effects produced for the base and active cream were significant and insignificant, respectively, as observed in the case of surface. Unlike the base, the active cream showed significant effects on skin volume, texture parameters (energy, variance and contrast) and SELS, SEr (skin roughness), SEsc (skin scaliness), SEsm (skin smoothness), and SEw (skin wrinkles) parameters. Conclusions The results suggested that moringa cream enhances skin revitalization effect and supports anti-aging skin effects. PMID:25097471

Solar wind parameters and magnetospheric coupling studies

NASA Technical Reports Server (NTRS)

King, Joseph H.

1986-01-01

This paper presents distributions, means, and standard deviations of the fluxes of solar wind protons, momentum, and energy as observed near earth during the solar quiet and active years 1976 and 1979. Distributions of ratios of energies (Alfven Mach number, plasma beta) and distributions of interplanetary magnetic field orientations are also given. Finally, the uncertainties associated with the use of the libration point orbiting ISEE-3 spacecraft as a solar wind monitor are discussed.

Biochar as potential sustainable precursors for activated carbon production: Multiple applications in environmental protection and energy storage.

PubMed

Tan, Xiao-Fei; Liu, Shao-Bo; Liu, Yun-Guo; Gu, Yan-Ling; Zeng, Guang-Ming; Hu, Xin-Jiang; Wang, Xin; Liu, Shao-Heng; Jiang, Lu-Hua

2017-03-01

There is a growing interest of the scientific community on production of activated carbon using biochar as potential sustainable precursors pyrolyzed from biomass wastes. Physical activation and chemical activation are the main methods applied in the activation process. These methods could have significantly beneficial effects on biochar chemical/physical properties, which make it suitable for multiple applications including water pollution treatment, CO 2 capture, and energy storage. The feedstock with different compositions, pyrolysis conditions and activation parameters of biochar have significant influences on the properties of resultant activated carbon. Compared with traditional activated carbon, activated biochar appears to be a new potential cost-effective and environmentally-friendly carbon materials with great application prospect in many fields. This review not only summarizes information from the current analysis of activated biochar and their multiple applications for further optimization and understanding, but also offers new directions for development of activated biochar. Copyright © 2016 Elsevier Ltd. All rights reserved.

Multiparametric monitoring of tissue vitality in clinical situations

NASA Astrophysics Data System (ADS)

Mayevsky, Avraham; Manor, Tamar; Meilin, Sigal; Razon, Nisim; Ouknine, George E.; Ornstein, Eugene

2001-05-01

The monitoring of various tissue's physiological and biochemical parameters is one of the tools used by the clinicians to improve diagnosis capacity. As of today, the very few devices developed for real time clinical monitoring of tissue vitality are based on a single parameter measurement. Tissue energy balance could be defined as the ratio between oxygen or energy supply and demand. In order to determine the vitality of the brain, for example, it is necessary to measure at least the following 3 parameters: Energy Demand--potassium ion homeostasis; Energy Supply-- cerebral blood flow; Energy Balance--mitochondrial NADH redox state. For other tissues one can measure various energy demand processes specific to the tested organ. We have developed a unique multiparametric monitoring system tested in various experimental and clinical applications. The multiprobe assembly (MPA) consists of a fiber optic probe for measurement of tissue blood flow and mitochondrial NADH redox state, ion selective electrodes (K+, Ca2+, H+), electrodes for electrical activities (ECoG or ECG and DC potential), temperature probe and for monitoring the brain - Intra Cranial Pressure probe (ICP). The computerized monitoring system was used in the neurological intensive care unit to monitor comatose patients for a period of 24-48 hours. Also, a simplified MPA was used in the neurosurgical operating room or during organ transplantation procedure. It was found that the MPA could be used in clinical situations and that the data collected has a significant diagnosis value for the medical team.

On the Jet Properties of γ-Ray-loud Active Galactic Nuclei

NASA Astrophysics Data System (ADS)

Chen, Liang

2018-04-01

Based on broadband spectral energy distributions (SEDs), we estimate the jet physical parameters of 1392 γ-ray-loud active galactic nuclei (AGNs), the largest sample so far. The (SED) jet power and magnetization parameter are derived for these AGNs. Out of these sources, the accretion disk luminosity of 232 sources and (extended) kinetic jet powers of 159 sources are compiled from archived papers. We find the following. (1) Flat-spectrum radio quasars (FSRQs) and BL Lacs are well separated by {{Γ }}=-0.127{log}{L}γ +8.18 in the γ-ray luminosity versus photon index plane with a success rate of 88.6%. (2) Most FSRQs present a (SED) jet power larger than the accretion power, which suggests that the relativistic jet-launching mechanism is dominated by the Blandford–Znajek process. This result confirms previous findings. (3) There is a significant anticorrelation between jet magnetization and a ratio of the (SED) jet power to the (extended) kinetic jet power, which, for the first time, provides supporting evidence for the jet energy transportation theory: a high-magnetization jet may more easily transport energy to a large scale than a low-magnetization jet.

Deconstructing thermodynamic parameters of a coupled system from site-specific observables.

PubMed

Chowdhury, Sandipan; Chanda, Baron

2010-11-02

Cooperative interactions mediate information transfer between structural domains of a protein molecule and are major determinants of protein function and modulation. The prevalent theories to understand the thermodynamic origins of cooperativity have been developed to reproduce the complex behavior of a global thermodynamic observable such as ligand binding or enzyme activity. However, in most cases the measurement of a single global observable cannot uniquely define all the terms that fully describe the energetics of the system. Here we establish a theoretical groundwork for analyzing protein thermodynamics using site-specific information. Our treatment involves extracting a site-specific parameter (defined as χ value) associated with a structural unit. We demonstrate that, under limiting conditions, the χ value is related to the direct interaction terms associated with the structural unit under observation and its intrinsic activation energy. We also introduce a site-specific interaction energy term (χ(diff)) that is a function of the direct interaction energy of that site with every other site in the system. When combined with site-directed mutagenesis and other molecular level perturbations, analyses of χ values of site-specific observables may provide valuable insights into protein thermodynamics and structure.

Review of Concrete Biodeterioration in Relation to Buried Nuclear Waste

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

Turick, C; Berry, C.

Long-term storage of low level radioactive material in below ground concrete disposal units (DUs) (Saltstone Disposal Facility) is a means of depositing wastes generated from nuclear operations of the U.S. Department of Energy. Based on the currently modeled degradation mechanisms, possible microbial induced effects on the structural integrity of buried low level wastes must be addressed. Previous international efforts related to microbial impacts on concrete structures that house low level radioactive waste showed that microbial activity can play a significant role in the process of concrete degradation and ultimately structural deterioration. This literature review examines the recent research in thismore » field and is focused on specific parameters that are applicable to modeling and prediction of the fate of concrete vaults housing stored wastes and the wastes themselves. Rates of concrete biodegradation vary with the environmental conditions, illustrating a need to understand the bioavailability of key compounds involved in microbial activity. Specific parameters require pH and osmotic pressure to be within a certain range to allow for microbial growth as well as the availability and abundance of energy sources like components involved in sulfur, iron and nitrogen oxidation. Carbon flow and availability are also factors to consider in predicting concrete biodegradation. The results of this review suggest that microbial activity in Saltstone, (grouted low level radioactive waste) is unlikely due to very high pH and osmotic pressure. Biodegradation of the concrete vaults housing the radioactive waste however, is a possibility. The rate and degree of concrete biodegradation is dependent on numerous physical, chemical and biological parameters. Results from this review point to parameters to focus on for modeling activities and also, possible options for mitigation that would minimize concrete biodegradation. In addition, key chemical components that drive microbial activity on concrete surfaces are discussed.« less

Determinants Affecting Physical Activity Levels In Animal Models

NASA Technical Reports Server (NTRS)

Tou, Janet C. L.; Wade, Charles E.; Dalton, Bonnie P. (Technical Monitor)

2001-01-01

Weight control is dependent on energy balance. Reduced energy expenditure (EE) associated with decreased physical activity is suggested to be a major underlying cause in the increasing prevalence of weight gain and obesity. Therefore, a better understanding of the biological determinants involved in the regulation of physical activity is essential. To facilitate interpretation in humans, it is helpful to consider the evidence from animal studies. This review focuses on animal studies examining the biological determinants influencing activity and potential implications to human. It appears that physical activity is influenced by a number of parameters. However, regardless of the parameter involved, body weight appears to play all underlying role in the regulation of activity. Furthermore, the regulation of activity associated with body weight appears to occur only after the animal achieves a critical weight. This suggests that activity levels are a consequence rather than a contributor to weight control. However, the existence of an inverse weight-activity relationship remains inconclusive. Confounding the results are the multi-factorial nature of physical activity and the lack of appropriate measuring devices. Furthermore, many determinants of body weight are closely interlocked making it difficult to determine whether a single, combination or interaction of factors is important for the regulation of activity. For example, diet-induced obesity, aging, lesions to tile ventral medial hypothalamus and genetics all produce hypoactivity. Providing a better understanding of the biological determinants involved in the regulation of activity has important implications for the development of strategies for the prevention of weight gain leading to obesity and subsequent morbidity and mortality in the human population.

Determinants affecting physical activity levels in animal models

NASA Technical Reports Server (NTRS)

Tou, Janet C L.; Wade, Charles E.

2002-01-01

Weight control is dependent on energy balance. Reduced energy expenditure (EE) associated with decreased physical activity is suggested to be a major underlying cause in the increasing prevalence of weight gain and obesity. Therefore, a better understanding of the biological determinants involved in the regulation of physical activity is essential. To facilitate interpretation in humans, it is helpful to consider the evidence from animal studies. This review focuses on animal studies examining the biological determinants influencing activity and potential implications to human. It appears that physical activity is influenced by a number of parameters. However, regardless of the parameter involved, body weight appears to play an underlying role in the regulation of activity. Furthermore, the regulation of activity associated with body weight appears to occur only after the animal achieves a critical weight. This suggests that activity levels are a consequence rather than a contributor to weight control. However, the existence of an inverse weight-activity relationship remains inconclusive. Confounding the results are the multifactorial nature of physical activity and the lack of appropriate measuring devices. Furthermore, many determinants of body weight are closely interlocked, making it difficult to determine whether a single, combination, or interaction of factors is important for the regulation of activity. For example, diet-induced obesity, aging, lesions to the ventral medial hypothalamus, and genetics all produce hypoactivity. Providing a better understanding of the biological determinants involved in the regulation of activity has important implications for the development of strategies for the prevention of weight gain leading to obesity and subsequent morbidity and mortality in the human population.

Recombinant methionyl human leptin administration activates signal transducer and activator of transcription 3 signaling in peripheral blood mononuclear cells in vivo and regulates soluble tumor necrosis factor-alpha receptor levels in humans with relative leptin deficiency.

PubMed

Chan, Jean L; Moschos, Stergios J; Bullen, John; Heist, Kathleen; Li, Xian; Kim, Young-Bum; Kahn, Barbara B; Mantzoros, Christos S

2005-03-01

Studies of congenital complete leptin deficiency in animals and humans support a role for leptin in regulating immune function. Whether acquired relative leptin deficiency affects immunological parameters in healthy humans remains unknown. We thus used experimental models of relative leptin deficiency and recombinant methionyl human leptin (r-metHuLeptin) administration in humans to investigate whether r-metHuLeptin would activate signaling pathways in peripheral blood mononuclear cells (PBMCs) and whether acquired relative leptin deficiency and/or increasing circulating leptin levels into the physiologic range would change PBMC subpopulations and cytokines important in the T-helper cell and systemic immune responses. We found that r-metHuLeptin administration to healthy humans activates signal transducer and activator of transcription-3 signaling in PBMCs in vivo. Neither short-term leptin deficiency, induced by 3-d complete fasting, nor physiologic r-metHuLeptin replacement for the same period of time had a major effect on PBMC subpopulations or serum cytokines in healthy men. In contrast, normalizing serum leptin levels over 8 wk in lean women with relative leptin deficiency for 5.1 +/- 1.4 yr (mean +/- se) due to chronic energy deficit increased soluble TNFalpha receptor levels, indicating activation of the TNFalpha system. These findings suggest that relative leptin deficiency due to more long-term energy deprivation is associated with defects in immunological parameters that may be corrected with exogenous r-metHuLeptin administration. Further studies are warranted to assess the implications of acquired relative hypoleptinemia and/or r-metHuLeptin administration on the immunosuppression associated with energy- and leptin-deficient states in humans.

Studies on thermokinetic of Chlorella pyrenoidosa devolatilization via different models.

PubMed

Chen, Zhihua; Lei, Jianshen; Li, Yunbei; Su, Xianfa; Hu, Zhiquan; Guo, Dabin

2017-11-01

The thermokinetics of Chlorella pyrenoidosa (CP) devolatilization were investigated based on iso-conversional model and different distributed activation energy models (DAEM). Iso-conversional process result showed that CP devolatilization roughly followed a single-step with mechanism function of f(α)=(1-α) 3 , and kinetic parameters pair of E 0 =180.5kJ/mol and A 0 =1.5E+13s -1 . Logistic distribution was the most suitable activation energy distribution function for CP devolatilization. Although reaction order n=3.3 was in accordance with iso-conversional process, Logistic DAEM could not detail the weight loss features since it presented as single-step reaction. The un-uniform feature of activation energy distribution in Miura-Maki DAEM, and weight fraction distribution in discrete DAEM reflected weight loss features. Due to the un-uniform distribution of activation and weight fraction, Miura-Maki DAEM and discreted DAEM could describe weight loss features. Copyright © 2017 Elsevier Ltd. All rights reserved.

On the superposition of strengthening mechanisms in dispersion strengthened alloys and metal-matrix nanocomposites: Considerations of stress and energy

NASA Astrophysics Data System (ADS)

Ferguson, J. B.; Schultz, Benjamin F.; Venugopalan, Dev; Lopez, Hugo F.; Rohatgi, Pradeep K.; Cho, Kyu; Kim, Chang-Soo

2014-03-01

Yield strength improvement in dispersion strengthened alloys and nano particle-reinforced composites by well-known strengthening mechanisms such as solid solution, grain refinement, coherent and incoherent dispersed particles, and increased dislocation density resulting from work-hardening can all be described individually. However, there is no agreed upon description of how these mechanisms combine to determine the yield strength. In this work, we propose an analytical yield strength prediction model combining arithmetic and quadratic addition approaches based on the consideration of two types of yielding mechanisms; stress-activated and energy-activated. Using data available in the literature for materials of differing grain sizes, we consider the cases of solid solutions and coherent precipitates to show that they follow stress-activated behavior. Then, we applied our model with some empirical parameters to precipitationhardenable materials of various grain sizes in both coherent and incoherent precipitate conditions, which demonstrated that grain boundary and Orowan-strengthening can be treated as energy-activated mechanisms.

Nonisothermal Carbothermal Reduction Kinetics of Titanium-Bearing Blast Furnace Slag

NASA Astrophysics Data System (ADS)

Hu, Mengjun; Wei, Ruirui; Hu, Meilong; Wen, Liangying; Ying, Fangqing

2018-05-01

The kinetics of carbothermal reduction of titanium-bearing blast furnace (BF) slag has been studied by thermogravimetric analysis and quadrupole mass spectrometry. The kinetic parameters (activation energy, preexponential factor, and reaction model function) were determined using the Flynn-Wall-Ozawa and Šatava-Šesták methods. The results indicated that reduction of titanium-bearing BF slag can be divided into two stages, namely reduction of phases containing iron and gasification of carbon (< 1095°C), followed by reduction of phases containing titanium (> 1095°C). CO2 was the main off-gas in the temperature range of 530-700°C, whereas CO became the main off-gas when the temperature was greater than 900°C. The activation energy calculated using the Flynn-Wall-Ozawa method was 221.2 kJ/mol. D4 is the mechanism function for carbothermal reduction of titanium-bearing BF slag. Meanwhile, a nonisothermal reduction model is proposed based on the obtained kinetic parameters.

Understanding the effects of electromagnetic field emissions from Marine Renewable Energy Devices (MREDs) on the commercially important edible crab, Cancer pagurus (L.).

PubMed

Scott, Kevin; Harsanyi, Petra; Lyndon, Alastair R

2018-06-01

The effects of simulated electromagnetic fields (EMF), emitted from sub-sea power cables, on the commercially important decapod, edible crab (Cancer pagurus), were assessed. Stress related parameters were measured (l-Lactate, d-Glucose, Haemocyanin and respiration rate) along with behavioural and response parameters (antennular flicking, activity level, attraction/avoidance, shelter preference and time spent resting/roaming) during 24-h periods. Exposure to EMF had no effect on Haemocyanin concentrations, respiration rate, activity level or antennular flicking rate. EMF exposure significantly disrupted haemolymph l-Lactate and d-Glucose natural circadian rhythms. Crabs showed a clear attraction to EMF exposed shelter (69%) compared to control shelter (9%) and significantly reduced their time spent roaming by 21%. Consequently, EMF emitted from Marine Renewable Energy Devices (MREDs) will likely affect edible crabs both behaviourally and physiologically, suggesting that the impact of EMF on crustaceans must be considered when planning MREDs. Copyright © 2018 Elsevier Ltd. All rights reserved.

Impact of ventilation systems and energy savings in a building on the mechanisms governing the indoor radon activity concentration.

PubMed

Collignan, Bernard; Powaga, Emilie

2017-11-23

For a given radon potential in the ground and a given building, the parameters affecting the indoor radon activity concentration (IRnAC) are indoor depressurization of a building and its air change rate. These parameters depend mainly on the building characteristics, such as airtightness, and on the nature and performances of the ventilation system. This study involves a numerical sensitivity assessment of the indoor environmental conditions on the IRnAC in buildings. A numerical ventilation model has been adapted to take into account the effects of variations in the indoor environmental conditions (depressurization and air change rate) on the radon entry rate and on the IRnAC. In the context of the development of a policy to reduce energy consumption in a building, the results obtained showed that IRnAC could be strongly affected by variations in the air permeability of the building associated with the ventilation regime. Copyright © 2017 Elsevier Ltd. All rights reserved.

RELATIVISTIC MHD SIMULATIONS OF COLLISION-INDUCED MAGNETIC DISSIPATION IN POYNTING-FLUX-DOMINATED JETS/OUTFLOWS

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

Deng, Wei; Zhang, Bing; Li, Hui

We perform 3D relativistic ideal magnetohydrodynamics (MHD) simulations to study the collisions between high-σ (Poynting-flux-dominated (PFD)) blobs which contain both poloidal and toroidal magnetic field components. This is meant to mimic the interactions inside a highly variable PFD jet. We discover a significant electromagnetic field (EMF) energy dissipation with an Alfvénic rate with the efficiency around 35%. Detailed analyses show that this dissipation is mostly facilitated by the collision-induced magnetic reconnection. Additional resolution and parameter studies show a robust result that the relative EMF energy dissipation efficiency is nearly independent of the numerical resolution or most physical parameters in themore » relevant parameter range. The reconnection outflows in our simulation can potentially form the multi-orientation relativistic mini jets as needed for several analytical models. We also find a linear relationship between the σ values before and after the major EMF energy dissipation process. Our results give support to the proposed astrophysical models that invoke significant magnetic energy dissipation in PFD jets, such as the internal collision-induced magnetic reconnection and turbulence model for gamma-ray bursts, and reconnection triggered mini jets model for active galactic nuclei. The simulation movies are shown in http://www.physics.unlv.edu/∼deng/simulation1.html.« less

Synthesis of charge transfer complex of chloranilic acid as acceptor with p-nitroaniline as donor: Crystallographic, UV-visible spectrophotometric and antimicrobial studies

NASA Astrophysics Data System (ADS)

Zulkarnain; Khan, Ishaat M.; Ahmad, Afaq; Miyan, Lal; Ahmad, Musheer; Azizc, Nafe

2017-08-01

The charge transfer interaction between p-nitroaniline (PNA) and chloranilic (CAA) acid was studied spectrophotometrically in methanol at different temperatures within the range 298-328 K. This experimental work explores the nature of charge-transfer interactions that play a significant role in chemistry and biology. Structure of synthesized charge transfer (CT) complex was investigated by different technique such as X-ray crystallography, FTIR, 1HNMR, UV-visible spectroscopy, XRD and TGA-DTA, which indicates the presence of N+sbnd Hrbd2bd O- bond between donor and acceptor moieties. Spectrophotometric studies of CT complexes were carried out in methanol at different temperatures to estimate thermodynamic parameters such as formation constant (KCT), molar absorptivity (εCT), free energy change (ΔG), enthalpy change (ΔH), resonance energy (RN), oscillator strength (f), transition dipole moment (μEN) and interaction energy (ECT) were also calculated. The effect of temperatures on all the parameters was studied in methanol. 1:1 stoichiometric of CT-complex was ascertained by Benesi-Hildebrand plots giving straight line, which are good agreement with other analysis. Synthesized CT complex was screened for its antimicrobial activity such as antibacterial activity against two gram-positive bacteria, Staphylococcus aureus and bacillus subtilis and two gram negative bacteria Escherichia coli and pseudomonas aeruginosa, and antifungal activity against fungi Fusarium oxysporum, and Aspergillus flavus.

Micromechanical Modeling Study of Mechanical Inhibition of Enzymatic Degradation of Collagen Tissues

PubMed Central

Tonge, Theresa K.; Ruberti, Jeffrey W.; Nguyen, Thao D.

2015-01-01

This study investigates how the collagen fiber structure influences the enzymatic degradation of collagen tissues. We developed a micromechanical model of a fibrous collagen tissue undergoing enzymatic degradation based on two central hypotheses. The collagen fibers are crimped in the undeformed configuration. Enzymatic degradation is an energy activated process and the activation energy is increased by the axial strain energy density of the fiber. We determined the intrinsic degradation rate and characteristic energy for mechanical inhibition from fibril-level degradation experiments and applied the parameters to predict the effect of the crimped fiber structure and fiber properties on the degradation of bovine cornea and pericardium tissues under controlled tension. We then applied the model to examine the effect of the tissue stress state on the rate of tissue degradation and the anisotropic fiber structures that developed from enzymatic degradation. PMID:26682825

Three-dimensional metal-intercalated covalent organic frameworks for near-ambient energy storage

PubMed Central

Gao, Fei; Ding, Zijing; Meng, Sheng

2013-01-01

A new form of nanoporous material, metal intercalated covalent organic framework (MCOF) is proposed and its energy storage property revealed. Employing density functional and thermodynamical analysis, we find that stable, chemically active, porous materials could form by stacking covalent organic framework (COF) layers with metals as a gluing agent. Metal acts as active sites, while its aggregation is suppressed by a binding energy significantly larger than the corresponding cohesive energy of bulk metals. Two important parameters, metal binding and metal-metal separation, are tuned by selecting suitable building blocks and linkers when constructing COF layers. Systematic searches among a variety of elements and organic molecules identify Ca-intercalated COF with diphenylethyne units as optimal material for H2 storage, reaching a striking gravimetric density ~ 5 wt% at near-ambient conditions (300 K, 20 bar), in comparison to < 0.1 wt% for bare COF-1 under the same condition. PMID:23698018

Active interrogation using low-energy nuclear reactions

NASA Astrophysics Data System (ADS)

Antolak, Arlyn; Doyle, Barney; Leung, Ka-Ngo; Morse, Daniel; Provencio, Paula

2005-09-01

High-energy photons and neutrons can be used to interrogate for heavily shielded fissile materials inside sealed cargo containers by detecting their prompt and/or delayed fission signatures. The FIND (Fissmat Inspection for Nuclear Detection) active interrogation system is based on a dual neutron+gamma source that uses low-energy (< 500 keV) proton- or deuteron-induced nuclear reactions to produce high intensities of mono-energetic gamma rays and/or neutrons. The source can be operated in either pulsed (e.g., to detect delayed photofission neutrons and gammas) or continuous (e.g., detecting prompt fission signatures) modes. For the gamma-rays, the source target can be segmented to incorporate different (p,γ) isotopes for producing gamma-rays at selective energies, thereby improving the probability of detection. The design parameters for the FIND system are discussed and preliminary accelerator-based measurements of gamma and neutron yields, background levels, and fission signals for several target materials under consideration are presented.

Effect of Pore Structure and Chemistry on the Performance of Activated Oil Sands Petroleum Coke Electrodes for use in Electrochemical Double-Layer Capacitors

NASA Astrophysics Data System (ADS)

Zuliani, Jocelyn Ellen

Electrical energy storage is a limiting barrier to widespread usage and commercialization of sustainable and renewable energy sources, such as wind and solar energy, as well as integration of electric vehicles. Electrochemical double-layer capacitors (EDLCs) are a promising energy storage technology that offers the benefits of high power density, long cycle life, rapid charging rates, and moderate energy density. The energy storage mechanism of EDLCs is physical ion adsorption on the surface of porous carbon electrodes. This thesis is an investigation of three different sections relating to EDLCs: 1) techniques to properly characterize novel porous carbon electrode materials, 2) investigation of activated oil sands petroleum coke (APC) as the electrode material for EDLCs, and 3) a systematic study of the effects of porous carbon structure and chemistry on EDLC performance. In the first section, it was shown that variations in operating conditions and testing techniques can lead to discrepancies in measured and reported capacitance. Therefore, it was concluded that a standardized approach is necessary in order to properly compare different porous carbon electrodes. In the second section, APC was investigated as a novel electrode material for EDLCs. PetCoke is a carbon dense material that can be activated with potassium hydroxide to generate high surface area porous carbon materials. These materials show promising electrochemical performance in EDLCs, with capacitance values up to 400 Fg-1 in 4M potassium hydroxide aqueous electrolytes, depending on the operating conditions. Additionally, the power density of these materials is comparable to that of other carbon nanomaterials, which are more costly and challenging to produce. Finally, the third section investigates the relationship between measured capacitance, and carbon macrostructure, meso-structure, microstructure, and oxygen content. In each of these studies, the desired parameter was varied, while all others (surface area, pore size, chemistry) were maintained constant. Through this systematic approach, this thesis investigates and quantifies the relationship between EDLC performance and important characteristic parameters through isolation of each individual parameter. By understanding the key structural and chemical features that improve EDLC performance, focus can be placed on engineering a sustainable and economic porous carbon material that has these desired features.

Integration of body temperature into the analysis of energy expenditure in the mouse

PubMed Central

Abreu-Vieira, Gustavo; Xiao, Cuiying; Gavrilova, Oksana; Reitman, Marc L.

2015-01-01

Objectives We quantified the effect of environmental temperature on mouse energy homeostasis and body temperature. Methods The effect of environmental temperature (4–33 °C) on body temperature, energy expenditure, physical activity, and food intake in various mice (chow diet, high-fat diet, Brs3-/y, lipodystrophic) was measured using continuous monitoring. Results Body temperature depended most on circadian phase and physical activity, but also on environmental temperature. The amounts of energy expenditure due to basal metabolic rate (calculated via a novel method), thermic effect of food, physical activity, and cold-induced thermogenesis were determined as a function of environmental temperature. The measured resting defended body temperature matched that calculated from the energy expenditure using Fourier's law of heat conduction. Mice defended a higher body temperature during physical activity. The cost of the warmer body temperature during the active phase is 4–16% of total daily energy expenditure. Parameters measured in diet-induced obese and Brs3-/y mice were similar to controls. The high post-mortem heat conductance demonstrates that most insulation in mice is via physiological mechanisms. Conclusions At 22 °C, cold-induced thermogenesis is ∼120% of basal metabolic rate. The higher body temperature during physical activity is due to a higher set point, not simply increased heat generation during exercise. Most insulation in mice is via physiological mechanisms, with little from fur or fat. Our analysis suggests that the definition of the upper limit of the thermoneutral zone should be re-considered. Measuring body temperature informs interpretation of energy expenditure data and improves the predictiveness and utility of the mouse to model human energy homeostasis. PMID:26042200

Dissociation energetics and mechanisms of leucine enkephalin (M + H)+ and (2M + X)+ ions (X = H, Li, Na, K, and Rb) measured by blackbody infrared radiative dissociation.

PubMed

Schnier, P D; Price, W D; Strittmatter, E F; Williams, E R

1997-08-01

The dissociation kinetics of protonated leucine enkephalin and its proton and alkali metal bound dimers were investigated by blackbody infrared radiative dissociation in a Fourier-transform mass spectrometer. From the temperature dependence of the unimolecular dissociation rate constants, Arrhenius activation parameters in the zero-pressure limit are obtained. Protonated leucine enkephalin dissociates to form b(4) and (M-H(2)O)(+) ions with an average activation energy (E(a)) of 1.1 eV and an A factor of 10(10.5) s(-1). The value of the A factor indicates that these dissociation processes are rearrangements. The b(4) ions subsequently dissociate to form a(4) ions via a process with a relatively high activation energy (1.3 eV), but one that is entropically favored. For the cationized dimers, the thermal stability decreases with increasing cation size, consistent with a simple electrostatic interaction in these noncovalent ion-molecule complexes. The E(a) and A factors are indistinguishable within experimental error with values of approximately 1.5 eV and 10(17) s(-1), respectively. Although not conclusive, results from master equation modeling indicate that all these BIRD processes, except for b(4) --> a(4), are in the rapid energy exchange limit. In this limit, the internal energy of the precursor ion population is given by a Boltzmann distribution and information about the energetics and dynamics of the reaction are obtained directly from the measured Arrhenius parameters.

Passive band-gap reconfiguration born from bifurcation asymmetry.

PubMed

Bernard, Brian P; Mann, Brian P

2013-11-01

Current periodic structures are constrained to have fixed energy transmission behavior unless active control or component replacement is used to alter their wave propagation characteristics. The introduction of nonlinearity to generate multiple stable equilibria is an alternative strategy for realizing distinct energy propagation behaviors. We investigate the creation of a reconfigurable band-gap system by implementing passive switching between multiple stable states of equilibrium, to alter the level of energy attenuation in response to environmental stimuli. The ability to avoid potentially catastrophic loads is demonstrated by tailoring the bandpass and band-gap regions to coalesce for two stable equilibria and varying an external load parameter to trigger a bifurcation. The proposed phenomenon could be utilized in remote or autonomous applications where component modifications and active control are impractical.

Magnetic evaluation of hydrogen pressures changes on MHD fluctuations in IR-T1 tokamak plasma

NASA Astrophysics Data System (ADS)

Alipour, Ramin; Ghanbari, Mohamad R.

2018-04-01

Identification of tokamak plasma parameters and investigation on the effects of each parameter on the plasma characteristics is important for the better understanding of magnetohydrodynamic (MHD) activities in the tokamak plasma. The effect of different hydrogen pressures of 1.9, 2.5 and 2.9 Torr on MHD fluctuations of the IR-T1 tokamak plasma was investigated by using of 12 Mirnov coils, singular value decomposition and wavelet analysis. The parameters such as plasma current, loop voltage, power spectrum density, energy percent of poloidal modes, dominant spatial structures and temporal structures of poloidal modes at different plasma pressures are plotted. The results indicate that the MHD activities at the pressure of 2.5 Torr are less than them at other pressures. It also has been shown that in the stable area of plasma and at the pressure of 2.5 Torr, the magnetic force and the force of plasma pressure are in balance with each other and the MHD activities are at their lowest level.

Temperature dependence of photoluminescence peaks of porous silicon structures

NASA Astrophysics Data System (ADS)

Brunner, Róbert; Pinčík, Emil; Kučera, Michal; Greguš, Ján; Vojtek, Pavel; Zábudlá, Zuzana

2017-12-01

Evaluation of photoluminescence spectra of porous silicon (PS) samples prepared by electrochemical etching is presented. The samples were measured at temperatures 30, 70 and 150 K. Peak parameters (energy, intensity and width) were calculated. The PL spectrum was approximated by a set of Gaussian peaks. Their parameters were fixed using fitting a procedure in which the optimal number of peeks included into the model was estimated using the residuum of the approximation. The weak thermal dependence of the spectra indicates the strong influence of active defects.

Oscillation properties of active and sterile neutrinos and neutrino anomalies at short distances

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

Khruschov, V. V., E-mail: khruschov-vv@nrcki.ru; Fomichev, S. V., E-mail: fomichev-sv@nrcki.ru; Titov, O. A., E-mail: titov-oa@nrcki.ru

2016-09-15

A generalized phenomenological (3 + 2 + 1) model featuring three active and three sterile neutrinos that is intended for calculating oscillation properties of neutrinos for the case of a normal active neutrino mass hierarchy and a large splitting between the mass of one sterile neutrino and the masses of the other two sterile neutrinos is considered. A new parametrization and a specific form of the general mixing matrix are proposed for active and sterile neutrinos with allowance for possible CP violation in the lepton sector, and test values are chosen for the neutrino masses and mixing parameters. The probabilitiesmore » for the transitions between different neutrino flavors are calculated, and graphs representing the probabilities for the disappearance of muon neutrinos/antineutrinos and the appearance of electron neutrinos/antineutrinos in a beam of muon neutrinos/antineutrinos versus the distance from the neutrino source for various values of admissible model parameters at neutrino energies not higher than 50 MeV, as well as versus the ratio of this distance to the neutrino energy, are plotted. It is shown that the short-distance accelerator anomaly in neutrino data (LNSD anomaly) can be explained in the case of a specific mixing matrix for active and sterile neutrinos (which belongs to the a{sub 2} type) at the chosen parameter values. The same applies to the short-distance reactor and gallium anomalies. The theoretical results obtained in the present study can be used to interpret and predict the results of ground-based neutrino experiments aimed at searches for sterile neutrinos, as well as to analyze some astrophysical observational data.« less

CHARMM Force-Fields with Modified Polyphosphate Parameters Allow Stable Simulation of the ATP-Bound Structure of Ca(2+)-ATPase.

PubMed

Komuro, Yasuaki; Re, Suyong; Kobayashi, Chigusa; Muneyuki, Eiro; Sugita, Yuji

2014-09-09

Adenosine triphosphate (ATP) is an indispensable energy source in cells. In a wide variety of biological phenomena like glycolysis, muscle contraction/relaxation, and active ion transport, chemical energy released from ATP hydrolysis is converted to mechanical forces to bring about large-scale conformational changes in proteins. Investigation of structure-function relationships in these proteins by molecular dynamics (MD) simulations requires modeling of ATP in solution and ATP bound to proteins with accurate force-field parameters. In this study, we derived new force-field parameters for the triphosphate moiety of ATP based on the high-precision quantum calculations of methyl triphosphate. We tested our new parameters on membrane-embedded sarcoplasmic reticulum Ca(2+)-ATPase and four soluble proteins. The ATP-bound structure of Ca(2+)-ATPase remains stable during MD simulations, contrary to the outcome in shorter simulations using original parameters. Similar results were obtained with the four ATP-bound soluble proteins. The new force-field parameters were also tested by investigating the range of conformations sampled during replica-exchange MD simulations of ATP in explicit water. Modified parameters allowed a much wider range of conformational sampling compared with the bias toward extended forms with original parameters. A diverse range of structures agrees with the broad distribution of ATP conformations in proteins deposited in the Protein Data Bank. These simulations suggest that the modified parameters will be useful in studies of ATP in solution and of the many ATP-utilizing proteins.

Oscillation properties of active and sterile neutrinos and neutrino anomalies at short distances

NASA Astrophysics Data System (ADS)

Khruschov, V. V.; Fomichev, S. V.; Titov, O. A.

2016-09-01

A generalized phenomenological (3 + 2 + 1) model featuring three active and three sterile neutrinos that is intended for calculating oscillation properties of neutrinos for the case of a normal activeneutrino mass hierarchy and a large splitting between the mass of one sterile neutrino and the masses of the other two sterile neutrinos is considered. A new parametrization and a specific form of the general mixing matrix are proposed for active and sterile neutrinos with allowance for possible CP violation in the lepton sector, and test values are chosen for the neutrino masses and mixing parameters. The probabilities for the transitions between different neutrino flavors are calculated, and graphs representing the probabilities for the disappearance of muon neutrinos/antineutrinos and the appearance of electron neutrinos/antineutrinos in a beam of muon neutrinos/antineutrinos versus the distance from the neutrino source for various values of admissible model parameters at neutrino energies not higher than 50 MeV, as well as versus the ratio of this distance to the neutrino energy, are plotted. It is shown that the short-distance accelerator anomaly in neutrino data (LNSD anomaly) can be explained in the case of a specific mixing matrix for active and sterile neutrinos (which belongs to the a 2 type) at the chosen parameter values. The same applies to the short-distance reactor and gallium anomalies. The theoretical results obtained in the present study can be used to interpret and predict the results of ground-based neutrino experiments aimed at searches for sterile neutrinos, as well as to analyze some astrophysical observational data.

Changes in energy metabolism accompanying pitting in blueberries stored at low temperature.

PubMed

Zhou, Qian; Zhang, Chunlei; Cheng, Shunchang; Wei, Baodong; Liu, Xiuying; Ji, Shujuan

2014-12-01

Low-temperature storage and transport of blueberries is widely practiced in commercial blueberry production. In this research, the storage life of blueberries was extended at low temperature, but fruit stored for 30 d at 0°C pitted after 2d at room-temperature. Fruit cellular structure and physiological parameters accompanying pitting in blueberries were changed. The objective of this research was to characterise properties of energy metabolism accompanying pitting in blueberries during storage, including adenosine phosphates and mitochondrial enzymes involved in stress responses. Physiological and metabolic disorders, changes in cell ultrastructure, energy content and ATPase enzyme activity were observed in pitting blueberries. Energy shortages and increased activity of phenylalanine ammonia lyase (PAL) and lipoxygenase (LOX) were observed in fruit kept at shelf life. The results suggested that sufficient available energy status and a stable enzymatic system in blueberries collectively contribute to improve chilling tolerance, thereby alleviating pitting and maintaining quality of blueberry fruit in long-term cold storage. Copyright © 2014 Elsevier Ltd. All rights reserved.

A molecularly based theory for electron transfer reorganization energy.

PubMed

Zhuang, Bilin; Wang, Zhen-Gang

2015-12-14

Using field-theoretic techniques, we develop a molecularly based dipolar self-consistent-field theory (DSCFT) for charge solvation in pure solvents under equilibrium and nonequilibrium conditions and apply it to the reorganization energy of electron transfer reactions. The DSCFT uses a set of molecular parameters, such as the solvent molecule's permanent dipole moment and polarizability, thus avoiding approximations that are inherent in treating the solvent as a linear dielectric medium. A simple, analytical expression for the free energy is obtained in terms of the equilibrium and nonequilibrium electrostatic potential profiles and electric susceptibilities, which are obtained by solving a set of self-consistent equations. With no adjustable parameters, the DSCFT predicts activation energies and reorganization energies in good agreement with previous experiments and calculations for the electron transfer between metallic ions. Because the DSCFT is able to describe the properties of the solvent in the immediate vicinity of the charges, it is unnecessary to distinguish between the inner-sphere and outer-sphere solvent molecules in the calculation of the reorganization energy as in previous work. Furthermore, examining the nonequilibrium free energy surfaces of electron transfer, we find that the nonequilibrium free energy is well approximated by a double parabola for self-exchange reactions, but the curvature of the nonequilibrium free energy surface depends on the charges of the electron-transferring species, contrary to the prediction by the linear dielectric theory.

FIRST ZEEMAN DOPPLER IMAGING OF A COOL STAR USING ALL FOUR STOKES PARAMETERS

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

Rosén, L.; Kochukhov, O.; Wade, G. A.

Magnetic fields are ubiquitous in active cool stars, but they are in general complex and weak. Current Zeeman Doppler imaging (ZDI) studies of cool star magnetic fields chiefly employ circular polarization observations because linear polarization is difficult to detect and requires a more sophisticated radiative transfer modeling to interpret. But it has been shown in previous theoretical studies, and in the observational analyses of magnetic Ap stars, that including linear polarization in the magnetic inversion process makes it possible to correctly recover many otherwise lost or misinterpreted magnetic features. We have obtained phase-resolved observations in all four Stokes parameters ofmore » the RS CVn star II Peg at two separate epochs. Here we present temperature and magnetic field maps reconstructed for this star using all four Stokes parameters. This is the very first such ZDI study of a cool active star. Our magnetic inversions reveal a highly structured magnetic field topology for both epochs. The strength of some surface features is doubled or even quadrupled when linear polarization is taken into account. The total magnetic energy of the reconstructed field map also becomes about 2.1–3.5 times higher. The overall complexity is also increased as the field energy is shifted toward higher harmonic modes when four Stokes parameters are used. As a consequence, the potential field extrapolation of the four Stokes parameter ZDI results indicates that magnetic field becomes weaker at a distance of several stellar radii due to a decrease of the large-scale field component.« less

High-frequency dielectric study of proustite crystals Ag3AsS3

NASA Astrophysics Data System (ADS)

Bordovsky, V. A.; Gunia, N. Yu; Castro, R. A.

2014-12-01

The dielectric properties of the crystals proustite in the frequency of 106-109 Hz and a temperature range of 173 to 473 K were studied. The dispersion of the dielectric parameters indicates the existence of non-Debye relaxation mechanism correlates with structural changes in the phase transition region. The charge transfer is temperature activated with an activation energy of 2.40 ± 0.01 eV.

Enzyme-dependent fluorescence recovery of NADH after photobleaching to assess dehydrogenase activity of isolated perfused hearts

NASA Astrophysics Data System (ADS)

Moreno, Angel; Kuzmiak-Glancy, Sarah; Jaimes, Rafael; Kay, Matthew W.

2017-03-01

Reduction of NAD+ by dehydrogenase enzymes to form NADH is a key component of cellular metabolism. In cellular preparations and isolated mitochondria suspensions, enzyme-dependent fluorescence recovery after photobleaching (ED-FRAP) of NADH has been shown to be an effective approach for measuring the rate of NADH production to assess dehydrogenase enzyme activity. Our objective was to demonstrate how dehydrogenase activity could be assessed within the myocardium of perfused hearts using NADH ED-FRAP. This was accomplished using a combination of high intensity UV pulses to photobleach epicardial NADH. Replenishment of epicardial NADH fluorescence was then imaged using low intensity UV illumination. NADH ED-FRAP parameters were optimized to deliver 23.8 mJ of photobleaching light energy at a pulse width of 6 msec and a duty cycle of 50%. These parameters provided repeatable measurements of NADH production rate during multiple metabolic perturbations, including changes in perfusate temperature, electromechanical uncoupling, and acute ischemia/reperfusion injury. NADH production rate was significantly higher in every perturbation where the energy demand was either higher or uncompromised. We also found that NADH production rate remained significantly impaired after 10 min of reperfusion after global ischemia. Overall, our results indicate that myocardial NADH ED-FRAP is a useful optical non-destructive approach for assessing dehydrogenase activity.

Microstructural characterization of weld joints of 9Cr reduced activation ferritic martensitic steel fabricated by different joining methods

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

Thomas Paul, V.; Saroja, S.; Albert, S.K.

This paper presents a detailed electron microscopy study on the microstructure of various regions of weldment fabricated by three welding methods namely tungsten inert gas welding, electron beam welding and laser beam welding in an indigenously developed 9Cr reduced activation ferritic/martensitic steel. Electron back scatter diffraction studies showed a random micro-texture in all the three welds. Microstructural changes during thermal exposures were studied and corroborated with hardness and optimized conditions for the post weld heat treatment have been identified for this steel. Hollomon–Jaffe parameter has been used to estimate the extent of tempering. The activation energy for the tempering processmore » has been evaluated and found to be corresponding to interstitial diffusion of carbon in ferrite matrix. The type and microchemistry of secondary phases in different regions of the weldment have been identified by analytical transmission electron microscopy. - Highlights: • Comparison of microstructural parameters in TIG, electron beam and laser welds of RAFM steel • EBSD studies to illustrate the absence of preferred orientation and identification of prior austenite grain size using phase identification map • Optimization of PWHT conditions for indigenous RAFM steel • Study of kinetics of tempering and estimation of apparent activation energy of the process.« less

In Vivo Magnetic Stimulation of Rat Sciatic Nerve With Centimeter- and Millimeter-Scale Solenoid Coils.

PubMed

Kagan, Zachary B; RamRakhyani, Anil Kumar; Lazzi, Gianluca; Normann, Richard A; Warren, David J

2016-11-01

Previous reports of magnetic stimulation of the peripheral nervous system (PNS) used various coil geometries, all with outer diameters larger than 35 mm, and stimulation energies in the 50 J range to evoke neural excitation. Recent reports of central nervous system (CNS) activation used sub-mm-scale solenoid coils with mJ energy levels. The goal of this study was to translate the lower energy levels from the CNS to the PNS via using smaller coils placed in closer proximity to the neural tissue. Such a performance improvement would advance the state of the art of magnetic stimulation and provide a path towards new neuroprosthetic devices. Primarily, we investigated the range of coil outer diameters from 25 mm down to 5 mm to better understand the dependence of coil diameter on energy required for PNS activation. Nine cm- and mm-scale copper solenoid coils, with various resistances, inductances, inner and outer diameters, and heights were compared by quantizing neuromuscular responses to magnetic stimulation via capacitive discharge excitation of rat sciatic nerves in vivo. Additionally, the effects of stimulus duration and coil position were investigated. As opposed to prior work, this study compares a subset of stimulation parameters in an intact nerve preparation, and shows that magnetic stimulation with coils that abut the nerve is a reliable, effective method of neuromuscular stimulation. Although we observed different energies required for neuromuscular activation depending on the coil and excitation parameters used, for the experimental configuration, devices, and stimulus waveform shapes presented in this manuscript, no systematic dependence of PNS activation on coil diameter was found, even for the mm-scale coils investigated herein. However, there was a clear relationship between discharge circuit capacitance and energy required to evoke a neuromuscular response. Coils approximately 12 mm in outer diameter and larger consistently evoked responses, whereas coils 5 mm in outer diameter did not. Furthermore, we observed meaningful neuromuscular excitation when stimulating with energies as low as 20 J. Although this is an improvement over prior work, it is still orders of magnitude greater than the energy required for conventional electrical stimulation, suggesting that these devices are presently not suitable for use in an application requiring continued pulsed stimulation. Nevertheless, these devices are suitable for basic research and as clinical tools that infrequently stimulate, such as in diagnostic applications.

Parameters for the Evaluation of the Fate, Transport, and Environmental Impacts of Chemical Agents in Marine Environments

DTIC Science & Technology

2007-07-01

result, estimation of the lifetime of hydrogen cyanide in deeper ocean waters is likely to be difficult. 2.4 Sulfur Mustard (HS) The principle active ...single first-order reaction rather than consecutive first-order reactions.159 A recent study determined the activation energy of 18.5 kcal mole-1for...on the chloride ion activity . Despite the relative rapidity of the hydrolysis reaction, 1,1’-thiobis[2-chloroethane] has been found to persist in

Dissecting the accountability of parameterized and parameter-free single-hybrid and double-hybrid functionals for photophysical properties of TADF-based OLEDs

NASA Astrophysics Data System (ADS)

Alipour, Mojtaba; Karimi, Niloofar

2017-06-01

Organic light emitting diodes (OLEDs) based on thermally activated delayed fluorescence (TADF) emitters are an attractive category of materials that have witnessed a booming development in recent years. In the present contribution, we scrutinize the accountability of parameterized and parameter-free single-hybrid (SH) and double-hybrid (DH) functionals through the two formalisms, full time-dependent density functional theory (TD-DFT) and Tamm-Dancoff approximation (TDA), for the estimation of photophysical properties like absorption energy, emission energy, zero-zero transition energy, and singlet-triplet energy splitting of TADF molecules. According to our detailed analyses on the performance of SHs based on TD-DFT and TDA, the TDA-based parameter-free SH functionals, PBE0 and TPSS0, with one-third of exact-like exchange turned out to be the best performers in comparison to other functionals from various rungs to reproduce the experimental data of the benchmarked set. Such affordable SH approximations can thus be employed to predict and design the TADF molecules with low singlet-triplet energy gaps for OLED applications. From another perspective, considering this point that both the nonlocal exchange and correlation are essential for a more reliable description of large charge-transfer excited states, applicability of the functionals incorporating these terms, namely, parameterized and parameter-free DHs, has also been evaluated. Perusing the role of exact-like exchange, perturbative-like correlation, solvent effects, and other related factors, we find that the parameterized functionals B2π-PLYP and B2GP-PLYP and the parameter-free models PBE-CIDH and PBE-QIDH have respectable performance with respect to others. Lastly, besides the recommendation of reliable computational protocols for the purpose, hopefully this study can pave the way toward further developments of other SHs and DHs for theoretical explorations in the field of OLEDs technology.

Ac conductivity and dielectric properties of bulk tin phthalocyanine dichloride (SnPcCl 2)

NASA Astrophysics Data System (ADS)

El-Nahass, M. M.; Farid, A. M.; Abd El-Rahman, K. F.; Ali, H. A. M.

2008-07-01

The ac conductivity, σac( ω), has been measured for bulk tin phthalocyanine dichloride (SnPcCl 2) in the form of compressed pellet with evaporated ohmic Au electrodes in a temperature range 303-403 K. Ac conductivity, σac( ω), is found to vary as ωs in the frequency range 42 Hz-5×10 6 Hz. At low range of frequency, s<1 and it decreases with the increase in temperature indicating a dominant hopping process. At high range of frequency, s is found to be equal to ≈1.09 and is temperature independent. The dielectric constant, ε1, and dialectic loss, ε2, have been determined for bulk SnPcCl 2. Both ε1 and ε2 decrease with the increase in frequency and increase with the increase in temperature. The Cole-Cole types have been used to determine some parameters such as; the macroscopic relaxation time ( τo), the molecular relaxation time ( τ), the activation energy for relaxation ( Eo) and the distribution parameter ( α). The temperature dependence of τ is expressed by a thermally activated process with the activation energy of 0.299 eV.

He-Ne laser-induced changes in germination, thermodynamic parameters, internal energy, enzyme activities and physiological attributes of wheat during germination and early growth

NASA Astrophysics Data System (ADS)

Jamil, Yasir; Perveen, Rashida; Ashraf, Muhammad; Ali, Qasim; Iqbal, Munawar; Ahmad, Muhammad Raza

2013-04-01

Using low power continuous wave He-Ne laser irradiation of seeds, the germination characteristics, thermodynamic changes and enzyme activities as well as changes in morphological attributes were explored for wheat (Triticum aestivum L. cv. S-24) cultivar. The changes in thermodynamic properties such as change in enthalpy (ΔH), entropy generation [(ΔSe)], entropy flux [(ΔSc)], entropy generation ratio [(ΔS)e/Δt], and entropy flux ratio [(ΔS)c/Δt] showed significant (P < 0.05) changes at an energy level of 500 mJ. The germination energy (GE), germination percentage (G%), germination index (GI) as well as α-amylase and protease activities was also found to be higher at 500 mJ, while the mean emergence time (MET) and time for 50% germination (E50) decreased for 300 mJ irradiance. The internal energy of the seeds increased significantly at all laser energy levels, but was highest for 500 mJ 72 h after sowing. The enzyme activities increased up to 24 h after sowing and then declined. The activities of α-amylase and protease were found to be positively correlated with the plant physiological attributes. These results indicate that low power continuous wave He-Ne laser (632 nm) treatment has considerable biological effects on seed metabolism during germination as well as on later vegetative growth.

Battery management system with distributed wireless sensors

DOEpatents

Farmer, Joseph C.; Bandhauer, Todd M.

2016-02-23

A system for monitoring parameters of an energy storage system having a multiplicity of individual energy storage cells. A radio frequency identification and sensor unit is connected to each of the individual energy storage cells. The radio frequency identification and sensor unit operates to sense the parameter of each individual energy storage cell and provides radio frequency transmission of the parameters of each individual energy storage cell. A management system monitors the radio frequency transmissions from the radio frequency identification and sensor units for monitoring the parameters of the energy storage system.

Blackbody Infrared Radiative Dissociation of Bradykinin and Its Analogues: Energetics, Dynamics, and Evidence for Salt-Bridge Structures in the Gas Phase

PubMed Central

Schnier, Paul D.; Price, William D.; Jockusch, Rebecca A.

2005-01-01

Blackbody infrared radiative dissociation (BIRD) spectra of singly and doubly protonated bradykinin and its analogues are measured in a Fourier-transform mass spectrometer. Rate constants for dissociation are measured as a function of temperature with reaction delays up to 600 s. From these data, Arrhenius activation parameters in the zero-pressure limit are obtained. The activation parameters and dissociation products for the singly protonated ions are highly sensitive to small changes in ion structure. The Arrhenius activation energy (Ea) and pre-exponential (or frequency factor, A) of the singly protonated ions investigated here range from 0.6 to 1.4 eV and 105 to 1012 s−1, respectively. For bradykinin and its analogues differing by modification of the residues between the two arginine groups on either end of the molecule, the singly and doubly protonated ions have average activation energies of 1.2 and 0.8 eV, respectively, and average A values of 108 and 1012 s−1, respectively, i.e., the presence of a second charge reduces the activation energy by 0.4 eV and decreases the A value by a factor of 104. This demonstrates that the presence of a second charge can dramatically influence the dissociation dynamics of these ions. The doubly protonated methyl ester of bradykinin has an Ea of 0.82 eV, comparable to the value of 0.84 eV for bradykinin itself. However, this value is 0.21 ± 0.08 eV greater than that of singly protonated methyl ester of bradykinin, indicating that the Coulomb repulsion is not the most significant factor in the activation energy of this ion. Both singly and doubly protonated Lys-bradykinin ions have higher activation energies than the corresponding bradykinin ions indicating that the addition of a basic residue stabilizes these ions with respect to dissociation. Methylation of the carboxylic acid group of the C-terminus reduces the Ea of bradykinin from 1.3 to 0.6 eV and the A factor from 1012 to 105 s−1. This modification also dramatically changes the dissociation products. Similar results are observed for [Ala6]-bradykinin and its methyl ester. These results, in combination with others presented here, provide experimental evidence that the most stable form of singly protonated bradykinin is a salt-bridge structure. PMID:16525512

X-Ray Spectral Variability Signatures of Flares in BL Lac Objects

NASA Technical Reports Server (NTRS)

Boettcher, Markus; Chiang, James; White, Nicholas E. (Technical Monitor)

2002-01-01

We are presenting a detailed parameter study of the time-dependent electron injection and kinematics and the self-consistent radiation transport in jets of intermediate and low-frequency peaked BL Lac objects. Using a time-dependent, combined synchrotron-self-Compton and external-Compton jet model, we study the influence of variations of several essential model parameters, such as the electron injection compactness, the relative contribution of synchrotron to external soft photons to the soft photon compactness, the electron- injection spectral index, and the details of the time profiles of the electron injection episodes giving rise to flaring activity. In the analysis of our results, we focus on the expected X-ray spectral variability signatures in a region of parameter space particularly well suited to reproduce the broadband spectral energy distributions of intermediate and low-frequency peaked BL Lac objects. We demonstrate that SSC- and external-Compton dominated models for the gamma-ray emission from blazars are producing significantly different signatures in the X-ray variability, in particular in the soft X-ray light curves and the spectral hysteresis at soft X-ray energies, which can be used as a powerful diagnostic to unveil the nature of the high-energy emission from BL Lac objects.

Forecasting solar proton event with artificial neural network

NASA Astrophysics Data System (ADS)

Gong, J.; Wang, J.; Xue, B.; Liu, S.; Zou, Z.

Solar proton event (SPE), relatively rare but popular in solar maximum, can bring hazard situation to spacecraft. As a special event, SPE always accompanies flare, which is also called proton flare. To produce such an eruptive event, large amount energy must be accumulated within the active region. So we can investigate the character of the active region and its evolving trend, together with other such as cm radio emission and soft X-ray background to evaluate the potential of SEP in chosen area. In order to summarize the omen of SPEs in the active regions behind the observed parameters, we employed AI technology. Full connecting neural network was chosen to fulfil this job. After constructing the network, we train it with 13 parameters that was able to exhibit the character of active regions and their evolution trend. More than 80 sets of event parameter were defined to teach the neural network to identify whether an active region was potential of SPE. Then we test this model with a data base consisting SPE and non-SPE cases that was not used to train the neural network. The result showed that 75% of the choice by the model was right.

Energy metabolism during activity-promoting video games practice in subjects with spinal cord injury: evidences for health promotion.

PubMed

Gaffurini, P; Bissolotti, L; Calza, S; Calabretto, C; Orizio, C; Gobbo, M

2013-02-01

Activity promoting video game (APVG) practice significantly affects energy metabolism through energy expenditure (EE) increase and has been recently included in strategies for health promotion. It is not known if the APVG practice provides similar outcomes in subjects with spinal cord injury (SCI). Aim of the study was to evaluate cardio-pulmonary and metabolic adaptations during APVG practice and to find whether EE increase above resting condition could suggest the inclusion of this exercise in a more general strategy for health promotion and body weight control in subjects with SCI. Repeated measures study. Rehabilitation Institute. Ten male subjects with SCI (lesion levels from C7 to L1) age 26 to 55 years. We recorded pulmonary ventilation (VE), oxygen consumption (VO2) for EE esteem and heart rate (HR) at rest and while playing virtual bowling, tennis and boxing games using a portable metabolimeter equipped with ECG electrodes. The standard metabolic equivalent of task (METs) was calculated offline. The metabolic and functional parameters were referred to the 10th minute of each activity. Metabolic and functional parameters increased significantly from rest to bowling, tennis and boxing. METs exceeded in average 3 during boxing. One hour of APVG can increase daily EE by about 6% (bowling), 10% (tennis) and 15% (boxing). These considerable results suggest that physical exertion during APVG practice in subjects with SCI could contribute to health promotion as well as caloric balance control, especially when boxing is considered. This can be safely achieved at home with regular activity. These findings substantiate the potential for novel exercise modalities to counteract deconditioning due to inactivity in subjects with SCI by promoting physical activity through implementation of APVG exercise programs.

Method of control position of laser focus during surfacing teeth of cutters

NASA Astrophysics Data System (ADS)

Zvezdin, V. V.; Hisamutdinov, R. M.; Rakhimov, R. R.; Israfilov, I. H.; Akhtiamov, R. F.

2017-09-01

Providing the quality laser of surfacing the edges of teeth requires control not only the energy of the radiation parameters, but also the position of the focal spot. The control channel of position of laser focus during surfacing, which determines the parameters of quality of the deposited layer, was calculated in the work. The parameters of the active opto-electronic system for the subsystem adjust the focus position relative to the deposited layer with a laser illumination of the cutting edges the teeth cutters were calculated, the model of a control channel based on thermal phenomena occurring in the zone of surfacing was proposed.

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

Szymańska, Paulina; Martin, Katie R.; MacKeigan, Jeffrey P.

We constructed a mechanistic, computational model for regulation of (macro)autophagy and protein synthesis (at the level of translation). The model was formulated to study the system-level consequences of interactions among the following proteins: two key components of MTOR complex 1 (MTORC1), namely the protein kinase MTOR (mechanistic target of rapamycin) and the scaffold protein RPTOR; the autophagy-initiating protein kinase ULK1; and the multimeric energy-sensing AMP-activated protein kinase (AMPK). Inputs of the model include intrinsic AMPK kinase activity, which is taken as an adjustable surrogate parameter for cellular energy level or AMP:ATP ratio, and rapamycin dose, which controls MTORC1 activity. Outputsmore » of the model include the phosphorylation level of the translational repressor EIF4EBP1, a substrate of MTORC1, and the phosphorylation level of AMBRA1 (activating molecule in BECN1-regulated autophagy), a substrate of ULK1 critical for autophagosome formation. The model incorporates reciprocal regulation of mTORC1 and ULK1 by AMPK, mutual inhibition of MTORC1 and ULK1, and ULK1-mediated negative feedback regulation of AMPK. Through analysis of the model, we find that these processes may be responsible, depending on conditions, for graded responses to stress inputs, for bistable switching between autophagy and protein synthesis, or relaxation oscillations, comprising alternating periods of autophagy and protein synthesis. A sensitivity analysis indicates that the prediction of oscillatory behavior is robust to changes of the parameter values of the model. The model provides testable predictions about the behavior of the AMPK-MTORC1-ULK1 network, which plays a central role in maintaining cellular energy and nutrient homeostasis.« less

Heat and mass transfer in combustion - Fundamental concepts and analytical techniques

NASA Technical Reports Server (NTRS)

Law, C. K.

1984-01-01

Fundamental combustion phenomena and the associated flame structures in laminar gaseous flows are discussed on physical bases within the framework of the three nondimensional parameters of interest to heat and mass transfer in chemically-reacting flows, namely the Damkoehler number, the Lewis number, and the Arrhenius number which is the ratio of the reaction activation energy to the characteristic thermal energy. The model problems selected for illustration are droplet combustion, boundary layer combustion, and the propagation, flammability, and stability of premixed flames. Fundamental concepts discussed include the flame structures for large activation energy reactions, S-curve interpretation of the ignition and extinctin states, reaction-induced local-similarity and non-similarity in boundary layer flows, the origin and removal of the cold boundary difficulty in modeling flame propagation, and effects of flame stretch and preferential diffusion on flame extinction and stability. Analytical techniques introduced include the Shvab-Zeldovich formulation, the local Shvab-Zeldovich formulation, flame-sheet approximation and the associated jump formulation, and large activation energy matched asymptotic analysis. Potentially promising research areas are suggested.

Validated numerical simulation model of a dielectric elastomer generator

NASA Astrophysics Data System (ADS)

Foerster, Florentine; Moessinger, Holger; Schlaak, Helmut F.

2013-04-01

Dielectric elastomer generators (DEG) produce electrical energy by converting mechanical into electrical energy. Efficient operation requires homogeneous deformation of each single layer. However, by different internal and external influences like supports or the shape of a DEG the deformation will be inhomogeneous and hence negatively affect the amount of the generated electrical energy. Optimization of the deformation behavior leads to improved efficiency of the DEG and consequently to higher energy gain. In this work a numerical simulation model of a multilayer dielectric elastomer generator is developed using the FEM software ANSYS. The analyzed multilayer DEG consists of 49 active dielectric layers with layer thicknesses of 50 μm. The elastomer is silicone (PDMS) while the compliant electrodes are made of graphite powder. In the simulation the real material parameters of the PDMS and the graphite electrodes need to be included. Therefore, the mechanical and electrical material parameters of the PDMS are determined by experimental investigations of test samples while the electrode parameters are determined by numerical simulations of test samples. The numerical simulation of the DEG is carried out as coupled electro-mechanical simulation for the constant voltage energy harvesting cycle. Finally, the derived numerical simulation model is validated by comparison with analytical calculations and further simulated DEG configurations. The comparison of the determined results show good accordance with regard to the deformation of the DEG. Based on the validated model it is now possible to optimize the DEG layout for improved deformation behavior with further simulations.

Energetic costs of producing muscle work and force in a cyclical human bouncing task

PubMed Central

Kuo, Arthur D.

2011-01-01

Muscles expend energy to perform active work during locomotion, but they may also expend significant energy to produce force, for example when tendons perform much of the work passively. The relative contributions of work and force to overall energy expenditure are unknown. We therefore measured the mechanics and energetics of a cyclical bouncing task, designed to control for work and force. We hypothesized that near bouncing resonance, little work would be performed actively by muscle, but the cyclical production of force would cost substantial metabolic energy. Human subjects (n = 9) bounced vertically about the ankles at inversely proportional frequencies (1–4 Hz) and amplitudes (15–4 mm), such that the overall rate of work performed on the body remained approximately constant (0.30 ± 0.06 W/kg), but the forces varied considerably. We used parameter identification to estimate series elasticity of the triceps surae tendon, as well as the work performed actively by muscle and passively by tendon. Net metabolic energy expenditure for bouncing at 1 Hz was 1.15 ± 0.31 W/kg, attributable mainly to active muscle work with an efficiency of 24 ± 3%. But at 3 Hz (near resonance), most of the work was performed passively, so that active muscle work could account for only 40% of the net metabolic rate of 0.76 ± 0.28 W/kg. Near resonance, a cost for cyclical force that increased with both amplitude and frequency of force accounted for at least as much of the total energy expenditure as a cost for work. Series elasticity reduces the need for active work, but energy must still be expended for force production. PMID:21212245

Coronal Heating, Weak MHD Turbulence, and Scaling Laws

NASA Technical Reports Server (NTRS)

Rappazzo, A. F.; Velli, M.; Einaudi, G.; Dahlburg, R. B.

2007-01-01

Long-time high-resolution simulations of the dynamics of a coronal loop in Cartesian geometry are carried out, within the framework of reduced magnetohydrodynamics (RMHD), to understand coronal heating driven by the motion of field lines anchored in the photosphere. We unambiguously identify MHD anisotropic turbulence as the physical mechanism responsible for the transport of energy from the large scales, where energy is injected by photospheric motions, to the small scales, where it is dissipated. As the loop parameters vary, different regimes of turbulence develop: strong turbulence is found for weak axial magnetic fields and long loops, leading to Kolmogorov-like spectra in the perpendicular direction, while weaker and weaker regimes (steeper spectral slopes of total energy) are found for strong axial magnetic fields and short loops. As a consequence we predict that the scaling of the heating rate with axial magnetic field intensity B, which depends on the spectral index of total energy for given loop parameters, must vary from B3/2 for weak fields to B2 for strong fields at a given aspect ratio. The predicted heating rate is within the lower range of observed active region and quiet-Sun coronal energy losses.

Comparisons of Solar Wind Coupling Parameters with Auroral Energy Deposition Rates

NASA Technical Reports Server (NTRS)

Elsen, R.; Brittnacher, M. J.; Fillingim, M. O.; Parks, G. K.; Germany G. A.; Spann, J. F., Jr.

1997-01-01

Measurement of the global rate of energy deposition in the ionosphere via auroral particle precipitation is one of the primary goals of the Polar UVI program and is an important component of the ISTP program. The instantaneous rate of energy deposition for the entire month of January 1997 has been calculated by applying models to the UVI images and is presented by Fillingim et al. In this session. A number of parameters that predict the rate of coupling of solar wind energy into the magnetosphere have been proposed in the last few decades. Some of these parameters, such as the epsilon parameter of Perrault and Akasofu, depend on the instantaneous values in the solar wind. Other parameters depend on the integrated values of solar wind parameters, especially IMF Bz, e.g. applied flux which predicts the net transfer of magnetic flux to the tail. While these parameters have often been used successfully with substorm studies, their validity in terms of global energy input has not yet been ascertained, largely because data such as that supplied by the ISTP program was lacking. We have calculated these and other energy coupling parameters for January 1997 using solar wind data provided by WIND and other solar wind monitors. The rates of energy input predicted by these parameters are compared to those measured through UVI data and correlations are sought. Whether these parameters are better at providing an instantaneous rate of energy input or an average input over some time period is addressed. We also study if either type of parameter may provide better correlations if a time delay is introduced; if so, this time delay may provide a characteristic time for energy transport in the coupled solar wind-magnetosphere-ionosphere system.

Tissue breathing and topology of rats thymocytes surface under acute total γ-irradiation.

PubMed

Nikitina, I A; Gritsuk, A I

2017-12-01

Assessment of the effect of single total γ irradiation to the parameters of mitochondrial oxidation and the topology of the thymocyte surface. The study was performed in sexually mature white outbreeding male rats divided into three groups: two experimental and one control. The states of energy metabolism were determined by the rate of oxygen consumption by the thymus tissues on endogenous substrates at the presence of 2,4 dinitrophenol, uncoupler of a tissue breathing (TB) and oxidative phosphorylation (OP) after a single total γ irradiation at a dose of 1.0 Gy at 3, 10, 40 and 60 days. The topology of thymus cells was assessed using atomic force microscopy (AFM) and scanning electron microscopy (SEM). On the 3rd and 10th days after total gamma irradiation at a dose of 1.0 Gy, a significant decrease in respira tory activity was determined in thymus tissues on endogenous substrates. Simultaneously, on the 3rd day, pro nounced changes in the morphological parameters of thymocytes (height, volume, area of contact with the sub strate) and the topology of their surface were also observed. On the 10th day after irradiation, most of the morpho logical parameters of thymocytes, except for their volume, were characterized by restoration to normal. In the long term (on the 30th and 60th days after exposure), a gradual but not complete recovery of the respiratory activity of thymocytes was observed, accompanied by an increase in the degree of dissociation of TD and OP. The obtained data reflect and refine mechanisms of post radiation repair of lymphopoiesis, showing the presence of conjugated changes in the parameters of aerobic energy metabolism of thymocytes, morphology and topology of their surface. The synchronism of changes in the parameters under study is a reflection of the state of the cytoskeleton, the functional activity of which largely depends on the level and efficiency of mitochondrial oxidation. І. A. Nikitina, A. I. Gritsuk.

Contruction and physical parameters of multiscan whole-body scanner (in Czech)

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

Silar, J.; Smidova, M.; Vacek, J.

The construction of a commercial whole-body scanner which permits scanning in the form of a photographic picture, and the distribution in the human body of the activity of gamma emitters having an energy of up to 1.3 MeV, at relatively short intervals are described. The results are presented of the measurement of physical parameters affecting the scanning possibilities of a Model No. 602 Multiscan, produced by Cyclotron Corporation. The resulting radiometric parameters are listed. The results of measurement show that the device can be used in the whole-body scanning of the distribution of the activity of gamma emitters applied inmore » routine procedures, such as 100 mu Ci of /sup 85/ Sr, with a position resolution of 25 to 50 mm in a tissue layer in a height of up to 100 mm above the Multiscan table. (INIS)« less

Characterization of energy exchange parameters in the Himalayan foothills Pakistan

NASA Astrophysics Data System (ADS)

Khalid, Bushra; Kumar, Mukul; Cholaw, Bueh; Aziz Khan, Junaid; Hayat Khan, Azmat

2017-04-01

The characterization of energy exchange parameters for spring season (April-May) has been done for Margalla hills national park (MHNP) Islamabad, Pakistan. It is important because Islamabad city lies in the foothills of Himalayas and micro meteorological activity makes the climate of surrounding areas. The activity on Himalaya's foothills (i.e., Margalla hills) regulate weather and also provide fresh water to the lakes and ponds by late afternoon thunder showers. This research is also important from the perspective of rain water harvesting in Islamabad, Pakistan. The objective of this study is to characterize the energy exchange parameters in the foothills of great Himalayas particularly on MHNP. Landsat ETM+ imageries have been used for calculating the land surface temperature (LST), normalized difference vegetation index (NDVI), and normalized difference moisture index (NDMI). SPOT 5 image has been used for land use/land cover classification over MHNP. The turbulent fluxes have been calculated by computing the values acquired from the processing of satellite imageries and real time observation data sets. The comparisons have been made between the land and atmospheric temperature and moisture to see the difference and its impacts on weather of twin cities i.e., Islamabad and Rawalpindi. The energy exchange parameters have been characterized by analyzing the impacts of weather parameters and turbulent fluxes on MHNP and surrounding cities. The potential rain water harvesting sites have been marked in the foothills. Weather and surface conditions become more favorable for the growth of vegetation by the end of April as the spring season reaches at its peak. There is the start of growing season in the month of April whereas the vegetation becomes thick over time during the month of May over Margalla hills however, the energy exchange parameters follow the same pattern in May as in April. The relative humidity remains between 18 - 55 % and the atmospheric temperature variations are between 19 to 35 0C during the studied period. As the atmospheric temperature and RH fluctuate, it effects the soil moisture and land surface temperature. Even if the atmospheric temperature rise or fall, the evergreen vegetation is found throughout the year on Margalla hills maintains/regulates the land surface temperature and soil moisture. The latent heat flux cause an increase in the noon temperature and RH levels. It further increases the moisture level in the atmosphere that is greatly supported by sensible heat flux to drive the moisture to the higher vertical levels and cause late afternoon thunder showers on the foothills and surrounding areas. The thundershowers are usually intense that cause light or heavy hail and changes the atmospheric temperature around 20 degrees Celsius in the evening time.

Does Increased Exercise or Physical Activity Alter Ad-Libitum Daily Energy Intake or Macronutrient Composition in Healthy Adults? A Systematic Review

PubMed Central

Donnelly, Joseph E.; Herrmann, Stephen D.; Lambourne, Kate; Szabo, Amanda N.; Honas, Jeffery J.; Washburn, Richard A.

2014-01-01

Background The magnitude of the negative energy balance induced by exercise may be reduced due to compensatory increases in energy intake. Objective To address the question: Does increased exercise or physical activity alter ad-libitum daily energy intake or macronutrient composition in healthy adults? Data Sources PubMed and Embase were searched (January 1990–January 2013) for studies that presented data on energy and/or macronutrient intake by level of exercise, physical activity or change in response to exercise. Ninety-nine articles (103 studies) were included. Study Eligibility Criteria Primary source articles published in English in peer-reviewed journals. Articles that presented data on energy and/or macronutrient intake by level of exercise or physical activity or changes in energy or macronutrient intake in response to acute exercise or exercise training in healthy (non-athlete) adults (mean age 18–64 years). Study Appraisal and Synthesis Methods Articles were grouped by study design: cross-sectional, acute/short term, non-randomized, and randomized trials. Considerable heterogeneity existed within study groups for several important study parameters, therefore a meta-analysis was considered inappropriate. Results were synthesized and presented by study design. Results No effect of physical activity, exercise or exercise training on energy intake was shown in 59% of cross-sectional studies (n = 17), 69% of acute (n = 40), 50% of short-term (n = 10), 92% of non-randomized (n = 12) and 75% of randomized trials (n = 24). Ninety-four percent of acute, 57% of short-term, 100% of non-randomized and 74% of randomized trials found no effect of exercise on macronutrient intake. Forty-six percent of cross-sectional trials found lower fat intake with increased physical activity. Limitations The literature is limited by the lack of adequately powered trials of sufficient duration, which have prescribed and measured exercise energy expenditure, or employed adequate assessment methods for energy and macronutrient intake. Conclusions We found no consistent evidence that increased physical activity or exercise effects energy or macronutrient intake. PMID:24454704

Using particle swarm optimization to enhance PI controller performances for active and reactive power control in wind energy conversion systems

NASA Astrophysics Data System (ADS)

Taleb, M.; Cherkaoui, M.; Hbib, M.

2018-05-01

Recently, renewable energy sources are impacting seriously power quality of the grids in term of frequency and voltage stability, due to their intermittence and less forecasting accuracy. Among these sources, wind energy conversion systems (WECS) received a great interest and especially the configuration with Doubly Fed Induction Generator. However, WECS strongly nonlinear, are making their control not easy by classical approaches such as a PI. In this paper, we continue deepen study of PI controller used in active and reactive power control of this kind of WECS. Particle Swarm Optimization (PSO) is suggested to improve its dynamic performances and its robustness against parameters variations. This work highlights the performances of PSO optimized PI control against classical PI tuned with poles compensation strategy. Simulations are carried out on MATLAB-SIMULINK software.

ECUT (Energy Conversion and Utilization Technologies) program: Biocatalysis Project

NASA Technical Reports Server (NTRS)

1988-01-01

Fiscal year 1987 research activities and accomplishments for the Biocatalysis Project of the U.S. Department of Energy, Energy Conversion and Utilization Technologies (ECUT) Division are presented. The project's technical activities were organized into three work elements. The Molecular Modeling and Applied Genetics work element includes modeling and simulation studies to verify a dynamic model of the enzyme carboxypeptidase; plasmid stabilization by chromosomal integration; growth and stability characteristics of plasmid-containing cells; and determination of optional production parameters for hyper-production of polyphenol oxidase. The Bioprocess Engineering work element supports efforts in novel bioreactor concepts that are likely to lead to substantially higher levels of reactor productivity, product yields, and lower separation energetics. The Bioprocess Design and Assessment work element attempts to develop procedures (via user-friendly computer software) for assessing the economics and energetics of a given biocatalyst process.

Assessment of strontium oxide functionalized graphene nanoflakes for enhanced photocatalytic activity: A density functional theory approach

NASA Astrophysics Data System (ADS)

Divya, A.; Mathavan, T.; Asath, R. Mohamed; Archana, J.; Hayakawa, Y.; Benial, A. Milton Franklin

2016-05-01

A series of strontium oxide functionalized graphene nanoflakes were designed and their optoelectronic properties were studied for enhanced photocatalytic activity. The efficiency of designed molecules was studied using various parameters such as HOMO-LUMO energy gap, light harvesting efficiency and exciton binding energy. The computed results show that by increasing the degree of functionalization of strontium oxide leads to lowering the band gap of hydrogen terminated graphene nanoflakes. Furthermore, the study explores the role of strontium oxide functionalization in Frontier Molecular Orbitals, ionization potential, electron affinity, exciton binding energy and light harvesting efficiency of designed molecules. The infrared and Raman spectra were simulated for pure and SrO functionalized graphene nanoflakes. The electron rich and electron deficient regions which are favorable for electrophilic and nucleophilic attacks respectively were analyzed using molecular electrostatic potential surface analysis.

Protein Surface Softness Is the Origin of Enzyme Cold-Adaptation of Trypsin

PubMed Central

Isaksen, Geir Villy; Åqvist, Johan; Brandsdal, Bjørn Olav

2014-01-01

Life has effectively colonized most of our planet and extremophilic organisms require specialized enzymes to survive under harsh conditions. Cold-loving organisms (psychrophiles) express heat-labile enzymes that possess a high specific activity and catalytic efficiency at low temperatures. A remarkable universal characteristic of cold-active enzymes is that they show a reduction both in activation enthalpy and entropy, compared to mesophilic orthologs, which makes their reaction rates less sensitive to falling temperature. Despite significant efforts since the early 1970s, the important question of the origin of this effect still largely remains unanswered. Here we use cold- and warm-active trypsins as model systems to investigate the temperature dependence of the reaction rates with extensive molecular dynamics free energy simulations. The calculations quantitatively reproduce the catalytic rates of the two enzymes and further yield high-precision Arrhenius plots, which show the characteristic trends in activation enthalpy and entropy. Detailed structural analysis indicates that the relationship between these parameters and the 3D structure is reflected by significantly different internal protein energy changes during the reaction. The origin of this effect is not localized to the active site, but is found in the outer regions of the protein, where the cold-active enzyme has a higher degree of softness. Several structural mechanisms for softening the protein surface are identified, together with key mutations responsible for this effect. Our simulations further show that single point-mutations can significantly affect the thermodynamic activation parameters, indicating how these can be optimized by evolution. PMID:25165981

FTIR, FT-Raman, FT-NMR, UV-visible and quantum chemical investigations of 2-amino-4-methylbenzothiazole.

PubMed

Arjunan, V; Sakiladevi, S; Rani, T; Mythili, C V; Mohan, S

2012-03-01

The FT-IR (4000-400 cm(-1)) and FT-Raman (4000-100 cm(-1)) spectral measurements and complete assignments of the observed spectra of 2-amino-4-methylbenzothiazole (2A4MBT) have been proposed. Ab initio and DFT calculations have been performed and the structural parameters of the compound were determined from the optimised geometry with 6-31G(d,p), 6-311++G(d,p) and cc-pVDZ basis sets and giving energies, harmonic vibrational frequencies, depolarisation ratios, IR intensities and Raman activities. (1)H and (13)C NMR spectra were recorded and (1)H and (13)C nuclear magnetic resonance chemical shifts of the molecule were calculated using the gauge independent atomic orbital (GIAO) method. UV-visible spectrum of the compound was also recorded and the electronic properties, such as HOMO, LUMO and band gap energies were measured by time-dependent DFT (TD-DFT) approach. The geometric parameters, energies, harmonic vibrational frequencies, IR intensities, Raman activities chemical shifts and absorption wavelengths were compared with the available experimental data of the molecule. The influences of methyl and amino groups on the skeletal modes and on the proton chemical shifts have been investigated. Copyright © 2011 Elsevier B.V. All rights reserved.

Electrode redox reactions with polarizable molecules.

PubMed

Matyushov, Dmitry V

2018-04-21

A theory of redox reactions involving electron transfer between a metal electrode and a polarizable molecule in solution is formulated. Both the existence of molecular polarizability and its ability to change due to electron transfer distinguish this problem from classical theories of interfacial electrochemistry. When the polarizability is different between the oxidized and reduced states, the statistics of thermal fluctuations driving the reactant over the activation barrier becomes non-Gaussian. The problem of electron transfer is formulated as crossing of two non-parabolic free energy surfaces. An analytical solution for these free energy surfaces is provided and the activation barrier of electrode electron transfer is given in terms of two reorganization energies corresponding to the oxidized and reduced states of the molecule in solution. The new non-Gaussian theory is, therefore, based on two theory parameters in contrast to one-parameter Marcus formulation for electrode reactions. The theory, which is consistent with the Nernst equation, predicts asymmetry between the cathodic and anodic branches of the electrode current. They show different slopes at small electrode overpotentials and become curved at larger overpotentials. However, the curvature of the Tafel plot is reduced compared to the Marcus-Hush model and approaches the empirical Butler-Volmer form with different transfer coefficients for the anodic and cathodic currents.

Electrode redox reactions with polarizable molecules

NASA Astrophysics Data System (ADS)

Matyushov, Dmitry V.

2018-04-01

A theory of redox reactions involving electron transfer between a metal electrode and a polarizable molecule in solution is formulated. Both the existence of molecular polarizability and its ability to change due to electron transfer distinguish this problem from classical theories of interfacial electrochemistry. When the polarizability is different between the oxidized and reduced states, the statistics of thermal fluctuations driving the reactant over the activation barrier becomes non-Gaussian. The problem of electron transfer is formulated as crossing of two non-parabolic free energy surfaces. An analytical solution for these free energy surfaces is provided and the activation barrier of electrode electron transfer is given in terms of two reorganization energies corresponding to the oxidized and reduced states of the molecule in solution. The new non-Gaussian theory is, therefore, based on two theory parameters in contrast to one-parameter Marcus formulation for electrode reactions. The theory, which is consistent with the Nernst equation, predicts asymmetry between the cathodic and anodic branches of the electrode current. They show different slopes at small electrode overpotentials and become curved at larger overpotentials. However, the curvature of the Tafel plot is reduced compared to the Marcus-Hush model and approaches the empirical Butler-Volmer form with different transfer coefficients for the anodic and cathodic currents.

Crystallization kinetics of the Cu{sub 50}Zr{sub 50} metallic glass under isothermal conditions

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

Gao, Qian; Jian, Zengyun, E-mail: jianzengyun@xatu.edu.cn; Xu, Junfeng

2016-12-15

Amorphous structure of the melt-spun Cu{sub 50}Zr{sub 50} amorphous alloy ribbons were confirmed by X-ray diffraction (XRD) and high-resolution transmission electron microscopy (HR-TEM). Isothermal crystallization kinetics of these alloy ribbons were investigated using differential scanning calorimetry (DSC). Besides, Arrhenius and Johnson-Mehl-Avrami (JMA) equations were utilized to obtain the isothermal crystallization kinetic parameters. As shown in the results, the local activation energy E{sub α} decreases by a large margin at the crystallized volume fraction α<0.1, which proves that crystallization process is increasingly easy. In addition, the local activation energy E{sub α} is basically constant at 0.1

Microgravimetric Analysis Method for Activation-Energy Extraction from Trace-Amount Molecule Adsorption.

PubMed

Xu, Pengcheng; Yu, Haitao; Li, Xinxin

2016-05-03

Activation-energy (Ea) value for trace-amount adsorption of gas molecules on material is rapidly and inexpensively obtained, for the first time, from a microgravimetric analysis experiment. With the material loaded, a resonant microcantilever is used to record in real time the adsorption process at two temperatures. The kinetic parameter Ea is thereby extracted by solving the Arrhenius equation. As an example, two CO2 capture nanomaterials are examined by the Ea extracting method for evaluation/optimization and, thereby, demonstrating the applicability of the microgravimetric analysis method. The achievement helps to solve the absence in rapid quantitative characterization of sorption kinetics and opens a new route to investigate molecule adsorption processes and materials.

Quenching And Luminescence Efficiency Of Nd3+ In YAG

NASA Astrophysics Data System (ADS)

Lupei, Voicu; Lupei, Aurelia; Georgescu, Serban; Ionescu, Christian I.; Yen, William M.

1989-05-01

The effect of the concentration luminescence quenching of the 4F 3/2, level of Nd3+ in YAG on the relative efficiency is presented. Based on the analysis of the decay curves in terms of the energy transfer theory, an analytical expression for the relative luminescence efficiency is obtained. In the low concentration range (up to q,1.5 at % Nd3+), the efficiency linearly decreases when Nd3+ concentration increases. It is also stressed that pairs quenching contribute about 20 % to the nonradiative energy transfer losses. Quantum efficiency of luminescence is an important parameter for the characterization of laser active media; its lowering is due to either multiphonon relaxation or energy transfer processes. The multiphonon non-radiative probability depends on the energy gap between levels, on the phonon energy and temperature; usually at low activator doping it is practically independent on concentration. On the other hand, energy transfer losses show a marked dependence on activator concentration, a fact that severely limits the range of useful con-centration of active centers in some laser crystals. In the YAG:Nd case the minimum energy gap between the Stark components of the 4F,I.) and the next lower level 4F15/2 is of about 4700 cm-1. Since in YAG tree phonons most effdbtively coupled to the Rare pi.th ions have an energy of 1, 700 cm-1, the probability for multiphonon relaxation from the 'F3/, level, even at room temperature, is very low and therefore for low Nd 3+ concentrations quantum efficiency is expected to be close to 1.

Folic acid content and antioxidant activity of different types of beers available in Hungarian retail.

PubMed

Koren, Dániel; Orbán, Csaba; Galló, Nóra; Kun, Szilárd; Vecseri-Hegyes, Beáta; Kun-Farkas, Gabriella

2017-04-01

In this study 40 Hungarian retail beers were evaluated for folic acid content, antioxidant profile and physicochemical parameters. The physicochemical parameters, folic acid content and antioxidant activity of alcohol-free beers were the lowest. Folic acid content of beers aged with sour cherries showed high values, more than 0.4 mg/l and an alcohol-free beer-based mixed drink made with lemon juice contained more than 0.2 mg/l of folic acid. Dark beers and beers aged with sour cherries had the highest antioxidant activity probably owing to their high extract content, components released from the fruits and special malts. These results highlight the possibility of achieving adequate folic acid and relevant antioxidant intake without excessive alcohol and energy consumption by selecting appropriate beer types.

The activation energy for nanocrystalline diamond films deposited from an Ar/H2/CH4 hot-filament reactor.

PubMed

Barbosa, D C; Melo, L L; Trava-Airoldi, V J; Corat, E J

2009-06-01

In this work we have investigated the effect of substrate temperature on the growth rate and properties of nanocrystalline diamond thin films deposited by hot filament chemical vapor deposition (HFCVD). Mixtures of 0.5 vol% CH4 and 25 vol% H2 balanced with Ar at a pressure of 50 Torr and typical deposition time of 12 h. We present the measurement of the activation energy by accurately controlling the substrate temperature independently of other CVD parameters. Growth rates have been measured in the temperature range from 550 to 800 degrees C. Characterization techniques have involved Raman spectroscopy, high resolution X-ray difractometry and scanning electron microscopy. We also present a comparison with most activation energy for micro and nanocrystalline diamond determinations in the literature and propose that there is a common trend in most observations. The result obtained can be an evidence that the growth mechanism of NCD in HFCVD reactors is very similar to MCD growth.

Determination of reaction rates and activation energy in aerobic composting processes for yard waste.

PubMed

Uma, R N; Manjula, G; Meenambal, T

2007-04-01

The reaction rates and activation energy in aerobic composting processes for yard waste were determined using specifically designed reactors. Different mixture ratios were fixed before the commencement of the process. The C/N ratio was found to be optimum for a mixture ratio of 1:6 containing one part of coir pith to six parts of other waste which included yard waste, yeast sludge, poultry yard waste and decomposing culture (Pleurotosis). The path of stabilization of the wastes was continuously monitored by observing various parameters such as temperature, pH, Electrical Conductivity, C.O.D, VS at regular time intervals. Kinetic analysis was done to determine the reaction rates and activation energy for the optimum mixture ratio under forced aeration condition. The results of the analysis clearly indicated that the temperature dependence of the reaction rates followed the Arrhenius equation. The temperature coefficients were also determined. The degradation of the organic fraction of the yard waste could be predicted using first order reaction model.

Effect of the magnetism of impurities on their diffusion in metals: Bulk diffusion of iron, cobalt, and rhodium in iridium single crystals

NASA Astrophysics Data System (ADS)

Klotsman, S. M.; Tatarinova, G. N.

2008-12-01

The coefficients and parameters of the temperature dependences of the coefficients of bulk diffusion of Fe, Co, Rh, and Au atomic probes (APs) in iridium single crystals (mono-Ir) have been determined from the diffusion profiles obtained using secondary-ion mass spectrometry of the diffusion zones. The enthalpies of activation of diffusion of Fe, Co, and Rh APs are considerably lower than the enthalpy of activation of selfdiffusion in mono-Ir. This is caused by the negative contributions of the intraatomic exchange energy and energy of relaxation of the environment of the d transition APs to the enthalpy of interaction of magnetically active APs with the vacancies in the iridium lattice. The interaction energy of partners in such complexes and the relationships between the magnetic moments of d transition APs in complexes with vacancies have been estimated. The Rh APs in complexes with vacancies in iridium possess stable magnetic moments.

Photoconduction in amorphous thin films of Se90Sb10-xAgx glassy alloys

NASA Astrophysics Data System (ADS)

Sharma, Suresh Kumar; Shukla, R. K.; Dwivedi, Prabhat K.; Kumar, A.

2017-10-01

The present paper reports the steady state photoconductivity and photosensitivity response of thermally evaporated amorphous thin films of Se90Sb10-xAgx(x = 2, 4, 6, 8, 10). Temperature dependence of dark conductivity is studied and activation energy is calculated for different samples. Temperature dependence of photoconductivity is also studied at different intensities. From temperature dependence of photoconductivity activation energy is computed at different intensities which are found to vary from 0.26 to 0.47 eV. Intensity dependence of photoconductivity has also been studied at different temperatures. These curves are plotted on logarithmic scale and found to be straight lines which show that photoconductivity follows a power law with intensity. Composition dependence of dark conductivity, activation energy of DC conduction and photosensitivity show that these parameters are highly. composition dependent and show a discontinuity at a particular composition when Ag concentration becomes 6 at. %. This is explained in terms of transition from floppy state to mechanically stabilized state at this composition.

Rotational Parameters from Vibronic Eigenfunctions of Jahn-Teller Active Molecules

NASA Astrophysics Data System (ADS)

Garner, Scott M.; Miller, Terry A.

2017-06-01

The structure in rotational spectra of many free radical molecules is complicated by Jahn-Teller distortions. Understanding the magnitudes of these distortions is vital to determining the equilibrium geometric structure and details of potential energy surfaces predicted from electronic structure calculations. For example, in the recently studied {\\widetilde{A}^2E^{''} } state of the NO_3 radical, the magnitudes of distortions are yet to be well understood as results from experimental spectroscopic studies of its vibrational and rotational structure disagree with results from electronic structure calculations of the potential energy surface. By fitting either vibrationally resolved spectra or vibronic levels determined by a calculated potential energy surface, we obtain vibronic eigenfunctions for the system as linear combinations of basis functions from products of harmonic oscillators and the degenerate components of the electronic state. Using these vibronic eigenfunctions we are able to predict parameters in the rotational Hamiltonian such as the Watson Jahn-Teller distortion term, h_1, and compare with the results from the analysis of rotational experiments.

Glycine Hinges with Opposing Actions at the Acetylcholine Receptor-Channel Transmitter Binding SiteS⃞

PubMed Central

Purohit, Prasad

2011-01-01

The extent to which agonists activate synaptic receptor-channels depends on both the intrinsic tendency of the unliganded receptor to open and the amount of agonist binding energy realized in the channel-opening process. We examined mutations of the nicotinic acetylcholine receptor transmitter binding site (α subunit loop B) with regard to both of these parameters. αGly147 is an “activation” hinge where backbone flexibility maintains high values for intrinsic gating, the affinity of the resting conformation for agonists and net ligand binding energy. αGly153 is a “deactivation” hinge that maintains low values for these parameters. αTrp149 (between these two glycines) serves mainly to provide ligand binding energy for gating. We propose that a concerted motion of the two glycine hinges (plus other structural elements at the binding site) positions αTrp149 so that it provides physiologically optimal binding and gating function at the nerve-muscle synapse. PMID:21115636

Energy minimization of mobile video devices with a hardware H.264/AVC encoder based on energy-rate-distortion optimization

NASA Astrophysics Data System (ADS)

Kang, Donghun; Lee, Jungeon; Jung, Jongpil; Lee, Chul-Hee; Kyung, Chong-Min

2014-09-01

In mobile video systems powered by battery, reducing the encoder's compression energy consumption is critical to prolong its lifetime. Previous Energy-rate-distortion (E-R-D) optimization methods based on a software codec is not suitable for practical mobile camera systems because the energy consumption is too large and encoding rate is too low. In this paper, we propose an E-R-D model for the hardware codec based on the gate-level simulation framework to measure the switching activity and the energy consumption. From the proposed E-R-D model, an energy minimizing algorithm for mobile video camera sensor have been developed with the GOP (Group of Pictures) size and QP(Quantization Parameter) as run-time control variables. Our experimental results show that the proposed algorithm provides up to 31.76% of energy consumption saving while satisfying the rate and distortion constraints.

Blackbody infrared radiative dissociation of oligonucleotide anions.

PubMed

Klassen, J S; Schnier, P D; Williams, E R

1998-11-01

The dissociation kinetics of a series of doubly deprotonated oligonucleotide 7-mers [d(A)7(2-), d(AATTAAT)2-, d(TTAATTA)2-, and d(CCGGCCG)2-] were measured using blackbody infrared radiative dissociation in a Fourier-transform mass spectrometer. The oligonucleotides dissociate first by cleavage at the glycosidic bond leading to the loss of a neutral nucleobase, followed by cleavage at the adjacent (5') phosphodiester bond to produce structurally informative a-base and w type ions. From the temperature dependence of the unimolecular dissociation rate constants, Arrhenius activation parameters in the zero-pressure limit are obtained for the loss of base. The measured Arrhenius parameters are dependent on the identity of the nucleobase. The process involving the loss of an adenine base from the dianions, d(A)7(2-), d(AATTAAT)2-, and d(TTAATTA)2- has an average activation energy (Ea) of approximately 1.0 eV and a preexponential factor (A) of 10(10) s-1. Both guanine and cytosine base loss occurs for d(CCGGCCG)2-. The average Arrhenius parameters for the loss of cytosine and guanine are Ea = 1.32 +/- 0.03 eV and A = 10(13.3 +/- 0.3) s-1. No loss of thymine was observed for mixed adenine-thymine oligonucleotides. Neither base loss nor any other fragmentation reactions occur for d(T)7(2-) over a 600 s reaction delay at 207 degrees C, a temperature close to the upper limit accessible with our instrument. The Arrhenius parameters indicate that the preferred cleavage sites for mixed oligonucleotides of similar mass-to-charge ratio will be strongly dependent on the internal energy of the precursor ions. At low internal energies (effective temperatures below 475 K), loss of adenine and subsequent cleavage of the adjacent phosphoester bonds will dominate, whereas at higher energies, preferential cleavage at C and G residues will occur. The magnitude of the A factors < or = 10(13) s-1 measured for the loss of the three nucleobases (A, G, and C) is indicative of an entropically neutral or disfavored process as the rate limiting step for this reaction.

Blackbody Infrared Radiative Dissociation of Oligonucleotide Anions

PubMed Central

Klassen, John S.; Schnier, Paul D.; Williams, Evan R.

2005-01-01

The dissociation kinetics of a series of doubly deprotonated oligonucleotide 7-mers [ d(A)72-, d(AATTAAT)2−, d(TTAATTA)2−, and d(CCGGCCG)2−] were measured using blackbody infrared radiative dissociation in a Fourier-transform mass spectrometer. The oligonucleotides dissociate first by cleavage at the glycosidic bond leading to the loss of a neutral nucleobase, followed by cleavage at the adjacent (5′) phosphodiester bond to produce structurally informative a-base and w type ions. From the temperature dependence of the unimolecular dissociation rate constants, Arrhenius activation parameters in the zero-pressure limit are obtained for the loss of base. The measured Arrhenius parameters are dependent on the identity of the nucleobase. The process involving the loss of an adenine base from the dianions, d(A)72-, d(AATTAAT)2−, and d(TTAATTA)2− has an average activation energy (Ea) of ~1.0 eV and a preexponential factor (A) of 1010 s−1. Both guanine and cytosine base loss occurs for d(CCGGCCG)2−. The average Arrhenius parameters for the loss of cytosine and guanine are Ea = 1.32 ± 0.03 eV and A = 1013.3±0.3 s−1. No loss of thymine was observed for mixed adenine–thymine oligonucleotides. Neither base loss nor any other fragmentation reactions occur for d(T)72- over a 600 s reaction delay at 207 °C, a temperature close to the upper limit accessible with our instrument. The Arrhenius parameters indicate that the preferred cleavage sites for mixed oligonucleotides of similar mass-to-charge ratio will be strongly dependent on the internal energy of the precursor ions. At low internal energies (effective temperatures below 475 K), loss of adenine and subsequent cleavage of the adjacent phosphoester bonds will dominate, whereas at higher energies, preferential cleavage at C and G residues will occur. The magnitude of the A factors ≤1013 s−1 measured for the loss of the three nucleobases (A, G, and C) is indicative of an entropically neutral or disfavored process as the rate limiting step for this reaction. PMID:9794082

Stimulation of the cochlea using green laser light

NASA Astrophysics Data System (ADS)

Wenzel, G. I.; Balster, S.; Lim, H. H.; Zhang, K.; Reich, U.; Lubatschowski, H.; Ertmer, W.; Lenarz, T.; Reuter, G.

2009-02-01

The success of conventional hearing aids and electrical cochlear implants have generally been limited to hearing in quiet situations, in part due to a lack of localized (i.e., frequency specificity) sensorineural activation and subsequent impaired speech discrimination in noise. Laser light is a source of energy that can be focused in a controlled manner and may provide more localized activation of the inner ear, the cochlea. Compound action potentials have been elicited using 2.12 µm laser pulses through activation of auditory nerve fibers (Izzo et al. 2006). Laser stimulation (813 nm) of the cochlea has shown to induce basilar membrane motion and cochlear microphonic potentials (Fridberger et al. 2006). We sought to assess if visible light (green, 532 nm, 10 ns pulses) could be used to consistently activate the cochlea. The laser parameters were selected based on our initial attempt to induce an optoacoustic effect as the energy transfer mechanism to the cochlea. Click evoked auditory brainstem responses (AABRs) were recorded preoperatively in ketamine-anesthetized guinea pigs to confirm normal hearing. The bulla and then the cochlea were exposed. Optically evoked ABRs (OABR) were recorded in response to laser stimulation with a 50 µm optical fiber (532 nm, 10 ns pulses, 500 repetitions, 10 pulses/s; Nd:YAG laser) at the round window (RW) directed towards the basilar membrane (BM). OABRs similar in morphology to acoustically evoked ABRs, except for shorter latencies, were obtained for stimulation through the RW with energy levels between 1.7-30 µJ/pulse. The OABRs increased with increasing energy level reaching a saturation level around 13-15 µJ/pulse. Furthermore the responses remained consistent across stimulation over time, including stimulation at 13 µJ/pulse for over 30 minutes, indicating minimal or no damage within the cochlea with this type of laser stimulation. Overall we have demonstrated that laser light stimulation with 532 nm has potential for a new type of auditory prosthesis that can activate the cochlea without any apparent functional damage. Further studies are needed to determine the optimal laser parameters and fiber placement locations for localized and tonotopic activation.

Study of Electromagnetic Interactions in the MicroBooNE Liquid Argon Time Projection Chamber

NASA Astrophysics Data System (ADS)

Caratelli, David

This thesis presents results on the study of electromagnetic (EM) activity in the MicroBooNE Liquid Argon Time Projection Chamber (LArTPC) neutrino detector. The LArTPC detector technology provides bubble-chamber like information on neutrino interaction final states, necessary to perform precision measurements of neutrino oscillation parameters. Accelerator-based oscillation experiments heavily rely on the appearance channel numu → nu e to make such measurements. Identifying and reconstructing the energy of the outgoing electrons from such interactions is therefore crucial for their success. This work focuses on two sources of EM activity: Michel electrons in the 10-50 MeV energy range, and photons from pi 0 decay in the ˜30-300 MeV range. Studies of biases in the energy reconstruction measurement, and energy resolution are performed. The impact of shower topology at different energies is discussed, and the importance of thresholding and other reconstruction effects on producing an asymmetric and biased energy measurement are highlighted. This work further presents a study of the calorimetric separation of electrons and photons with a focus on the shower energy dependence of the separation power.

Study of Electromagnetic Interactions in the MicroBooNE Liquid Argon Time Projection Chamber

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

Caratelli, David

This thesis presents results on the study of electromagnetic (EM) activity in the MicroBooNE Liquid Argon Time Projection Chamber (LArTPC) neutrino detector. The LArTPC detector technology provides bubble-chamber like information on neutrino interaction final states, necessary to perform precision measurements of neutrino oscillation parameters. Accelerator-based oscillation experiments heavily rely on the appearance channel ! e to make such measurements. Identifying and reconstructing the energy of the outgoing electrons from such interactions is therefore crucial for their success. This work focuses on two sources of EM activity: Michel electrons in the 10-50 MeV energy range, and photons from 0 decay inmore » the 30-300 MeV range. Studies of biases in the energy reconstruction measurement, and energy resolution are performed. The impact of shower topology at different energies is discussed, and the importance of thresholding and other reconstruction effects on producing an asymmetric and biased energy measurement are highlighted. This work further presents a study of the calorimetric separation of electrons and photons with a focus on the shower energy dependence of the separation power.« less

MERCURY REACTIONS IN THE PRESENCE OF CHLORINE SPECIES: HOMOGENOUS GAS PHASE AND HETEROGENOUS GAS-SOLID PHASE

EPA Science Inventory

The kinetics of mercury chlorination (with HC1) were studied using a flow reactor system with an on-line Hg analyzer and spciation sampling using a set of impingers. Kinetic parameters, such as reaction order (a), activation energy (Eu) and the overall rate constant (k') were es...

Hexamethylbenzene as a sensitive nuclear magnetic resonance probe for studying organic crystals and glasses

NASA Astrophysics Data System (ADS)

Jansen-Glaw, B.; Rössler, E.; Taupitz, M.; Vieth, H. M.

1989-06-01

Deuterated hexamethylbenzene (HMB) is used as a probe molecule for 2H NMR studies of the crystalline state of hexachlorobenzene and of several organic glasses. By measuring the spin-lattice relaxation and the line shape in the temperature range of 4-300 K the dynamical parameters of the molecular reorientation are investigated. For the system HMB/hexachlorobenzene, we find exponential relaxation and for the corresponding T1 an increase of its activation energy by a factor of 2 in comparison to the neat HMB. A homogeneous mixing of the guest and host molecules is found at least for guest concentrations up to 7%. In contrast, nonexponential spin-lattice relaxation is characteristic for all glass matrices, indicating motional heterogeneities. A log-Gauss distribution for the corresponding motional correlation times gives a good fit of the data. Its width parameter decreases linearly with temperature, while the mean correlation times are described by an Arrhenius law. The mean activation energy is reduced by a factor of about 3.5 as compared to neat HMB, demonstrating a loose packing of the molecules in the glass matrices.

Optimization of commercial scale photonuclear production of radioisotopes

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

Bindu, K. C.; Harmon, Frank; Starovoitova, Valeriia N.

2013-04-19

Photonuclear production of radioisotopes driven by bremsstrahlung photons using a linear electron accelerator in the suitable energy range is a promising method for producing radioisotopes. The photonuclear production method is capable of making radioisotopes more conveniently, cheaply and with much less radioactive waste compared to existing methods. Historically, photo-nuclear reactions have not been exploited for isotope production because of the low specific activity that is generally associated with this production process, although the technique is well-known to be capable of producing large quantities of certain radioisotopes. We describe an optimization technique for a set of parameters to maximize specific activitymore » of the final product. This set includes the electron beam energy and current, the end station design (an integrated converter and target as well as cooling system), the purity of materials used, and the activation time. These parameters are mutually dependent and thus their optimization is not trivial. {sup 67}Cu photonuclear production via {sup 68}Zn({gamma}p){sup 67}Cu reaction was used as an example of such an optimization process.« less

Non-isothermal crystallization kinetics of ternary Se90Te10-xPbx glasses

NASA Astrophysics Data System (ADS)

Atyia, H. E.; Farid, A. S.

2016-02-01

Ternary Se90Te10-xPbx with (x=2 and 6 at%) glass compositions have been prepared using a melt quenching technique and performed the non-isothermal kinetics by differential thermal analysis (DTA) at various heating rates. The glassy state of the studied samples has been characterized using x-ray diffraction analysis. The glass transition temperature Tg, the onset temperature of crystallization Tc and the peak temperature of crystallization Tp are found to be composition and heating rate dependent. From heating rate dependence of Tg and Tp, the glass transition activation energies Eg and the crystallization activation energies Ec have been determined according to different methods. The transformation mechanisms have been examined by the values of Avrami exponent n and dimensionality of growth m. Thermal stability and glass formation ability have been monitored through the calculation of the thermal stability S, temperature difference ΔT, Hurby parameter Hr, frequency factor Ko, crystallization rate factor K and fragility index F. The compositional dependence of the above-mentioned parameters indicate that, the stability of the studied glass samples decreases with increasing Pb at% content.

AGN neutrino flux estimates for a realistic hybrid model

NASA Astrophysics Data System (ADS)

Richter, S.; Spanier, F.

2018-07-01

Recent reports of possible correlations between high energy neutrinos observed by IceCube and Active Galactic Nuclei (AGN) activity sparked a burst of publications that attempt to predict the neutrino flux of these sources. However, often rather crude estimates are used to derive the neutrino rate from the observed photon spectra. In this work neutrino fluxes were computed in a wide parameter space. The starting point of the model was a representation of the full spectral energy density (SED) of 3C 279. The time-dependent hybrid model that was used for this study takes into account the full pγ reaction chain as well as proton synchrotron, electron-positron-pair cascades and the full SSC scheme. We compare our results to estimates frequently used in the literature. This allows to identify regions in the parameter space for which such estimates are still valid and those in which they can produce significant errors. Furthermore, if estimates for the Doppler factor, magnetic field, proton and electron densities of a source exist, the expected IceCube detection rate is readily available.

Effect of Mn and Cr additions on kinetics of recrystallization and parameters of grain-boundary relaxation of Al-4.9Mg alloy

NASA Astrophysics Data System (ADS)

Mikhailovskaya, A. V.; Golovin, I. S.; Zaitseva, A. A.; Portnoi, V. K.; Dröttboom, P.; Cifre, J.

2013-03-01

Methods of microstructural analysis, measurements of hardness, and temperature and time dependences of internal friction (TDIF and TDIF(iso), respectively) have been used to study recrystallization in cold-rolled alloys and grain-boundary relaxation in annealed alloys. A complex analysis of the effect of additions of transition metals (Mn, Cr) on the magnitude of the activation energy of the background of the internal friction in deformed and annealed states and on the activation parameters of grain-boundary relaxation has been performed. Methods of amplitude dependences of internal friction (ADIF) have been used to determine the critical amplitude that corresponds to the beginning of microplastic deformation in the alloys at different temperatures.

An asymptotic analysis of supersonic reacting mixing layers

NASA Technical Reports Server (NTRS)

Jackson, T. L.; Hussaini, M. Y.

1987-01-01

The purpose of this paper is to present an asymptotic analysis of the laminar mixing of the simultaneous chemical reaction between parallel supersonic streams of two reacting species. The study is based on a one-step irreversible Arrhenius reaction and on large activation energy asymptotics. Essentially it extends the work of Linan and Crespo to include the effect of free shear and Mach number on the ignition regime, the deflagration regime and the diffusion flame regime. It is found that the effective parameter is the product of the characteristic Mach number and a shear parameter.

Shaping thin film growth and microstructure pathways via plasma and deposition energy: a detailed theoretical, computational and experimental analysis.

PubMed

Sahu, Bibhuti Bhusan; Han, Jeon Geon; Kersten, Holger

2017-02-15

Understanding the science and engineering of thin films using plasma assisted deposition methods with controlled growth and microstructure is a key issue in modern nanotechnology, impacting both fundamental research and technological applications. Different plasma parameters like electrons, ions, radical species and neutrals play a critical role in nucleation and growth and the corresponding film microstructure as well as plasma-induced surface chemistry. The film microstructure is also closely associated with deposition energy which is controlled by electrons, ions, radical species and activated neutrals. The integrated studies on the fundamental physical properties that govern the plasmas seek to determine their structure and modification capabilities under specific experimental conditions. There is a requirement for identification, determination, and quantification of the surface activity of the species in the plasma. Here, we report a detailed study of hydrogenated amorphous and crystalline silicon (c-Si:H) processes to investigate the evolution of plasma parameters using a theoretical model. The deposition processes undertaken using a plasma enhanced chemical vapor deposition method are characterized by a reactive mixture of hydrogen and silane. Later, various contributions of energy fluxes on the substrate are considered and modeled to investigate their role in the growth of the microstructure of the deposited film. Numerous plasma diagnostic tools are used to compare the experimental data with the theoretical results. The film growth and microstructure are evaluated in light of deposition energy flux under different operating conditions.

Energy Expenditure of Trotting Gait Under Different Gait Parameters

NASA Astrophysics Data System (ADS)

Chen, Xian-Bao; Gao, Feng

2017-07-01

Robots driven by batteries are clean, quiet, and can work indoors or in space. However, the battery endurance is a great problem. A new gait parameter design energy saving strategy to extend the working hours of the quadruped robot is proposed. A dynamic model of the robot is established to estimate and analyze the energy expenditures during trotting. Given a trotting speed, optimal stride frequency and stride length can minimize the energy expenditure. However, the relationship between the speed and the optimal gait parameters is nonlinear, which is difficult for practical application. Therefore, a simplified gait parameter design method for energy saving is proposed. A critical trotting speed of the quadruped robot is found and can be used to decide the gait parameters. When the robot is travelling lower than this speed, it is better to keep a constant stride length and change the cycle period. When the robot is travelling higher than this speed, it is better to keep a constant cycle period and change the stride length. Simulations and experiments on the quadruped robot show that by using the proposed gait parameter design approach, the energy expenditure can be reduced by about 54% compared with the 100 mm stride length under 500 mm/s speed. In general, an energy expenditure model based on the gait parameter of the quadruped robot is built and the trotting gait parameters design approach for energy saving is proposed.

Evaluation of the ability of three physical activity monitors to predict weight change and estimate energy expenditure.

PubMed

Correa, John B; Apolzan, John W; Shepard, Desti N; Heil, Daniel P; Rood, Jennifer C; Martin, Corby K

2016-07-01

Activity monitors such as the Actical accelerometer, the Sensewear armband, and the Intelligent Device for Energy Expenditure and Activity (IDEEA) are commonly validated against gold standards (e.g., doubly labeled water, or DLW) to determine whether they accurately measure total daily energy expenditure (TEE) or activity energy expenditure (AEE). However, little research has assessed whether these parameters or others (e.g., posture allocation) predict body weight change over time. The aims of this study were to (i) test whether estimated energy expenditure or posture allocation from the devices was associated with weight change during and following a low-calorie diet (LCD) and (ii) compare free-living TEE and AEE predictions from the devices against DLW before weight change. Eighty-seven participants from 2 clinical trials wore 2 of the 3 devices simultaneously for 1 week of a 2-week DLW period. Participants then completed an 8-week LCD and were weighed at the start and end of the LCD and 6 and 12 months after the LCD. More time spent walking at baseline, measured by the IDEEA, significantly predicted greater weight loss during the 8-week LCD. Measures of posture allocation demonstrated medium effect sizes in their relationships with weight change. Bland-Altman analyses indicated that the Sensewear and the IDEEA accurately estimated TEE, and the IDEEA accurately measured AEE. The results suggest that the ability of energy expenditure and posture allocation to predict weight change is limited, and the accuracy of TEE and AEE measurements varies across activity monitoring devices, with multi-sensor monitors demonstrating stronger validity.

Evaluation of the ability of three physical activity monitors to predict weight change and estimate energy expenditure

PubMed Central

Correa, John B.; Apolzan, John W.; Shepard, Desti N.; Heil, Daniel P.; Rood, Jennifer C.; Martin, Corby K.

2016-01-01

Activity monitors such as the Actical accelerometer, the Sensewear armband, and the Intelligent Device for Energy Expenditure and Activity (IDEEA) are commonly validated against gold standards (e.g., doubly labeled water, or DLW) to determine whether they accurately measure total daily energy expenditure (TEE) or activity energy expenditure (AEE). However, little research has assessed whether these parameters or others (e.g., posture allocation) predict body weight change over time. The aims of this study were to (i) test whether estimated energy expenditure or posture allocation from the devices was associated with weight change during and following a low-calorie diet (LCD) and (ii) compare free-living TEE and AEE predictions from the devices against DLW before weight change. Eighty-seven participants from 2 clinical trials wore 2 of the 3 devices simultaneously for 1 week of a 2-week DLW period. Participants then completed an 8-week LCD and were weighed at the start and end of the LCD and 6 and 12 months after the LCD. More time spent walking at baseline, measured by the IDEEA, significantly predicted greater weight loss during the 8-week LCD. Measures of posture allocation demonstrated medium effect sizes in their relationships with weight change. Bland–Altman analyses indicated that the Sensewear and the IDEEA accurately estimated TEE, and the IDEEA accurately measured AEE. The results suggest that the ability of energy expenditure and posture allocation to predict weight change is limited, and the accuracy of TEE and AEE measurements varies across activity monitoring devices, with multi-sensor monitors demonstrating stronger validity. PMID:27270210

Modeling electrical power absorption and thermally-induced biological tissue damage.

PubMed

Zohdi, T I

2014-01-01

This work develops a model for thermally induced damage from high current flow through biological tissue. Using the first law of thermodynamics, the balance of energy produced by the current and the energy absorbed by the tissue are investigated. The tissue damage is correlated with an evolution law that is activated upon exceeding a temperature threshold. As an example, the Fung material model is used. For certain parameter choices, the Fung material law has the ability to absorb relatively significant amounts of energy, due to its inherent exponential response character, thus, to some extent, mitigating possible tissue damage. Numerical examples are provided to illustrate the model's behavior.

Parametric investigations of target normal sheath acceleration experiments

NASA Astrophysics Data System (ADS)

Zani, Alessandro; Sgattoni, Andrea; Passoni, Matteo

2011-10-01

One of the most important challenges related to laser-driven ion acceleration research is to actively control some important ion beam features. This is a peculiar topic in the light of future possible technological applications. In the present work we make use of one theoretical model for target normal sheath acceleration in order to reproduce recent experimental parametric studies about maximum ion energy dependencies on laser parameters. The key role played by pulse energy and intensity is enlightened. Finally the effective dependence of maximum ion energy on intensity is evaluated using a combined theoretical approach, obtained by means of an analytical and a particle-in-cell numerical investigation.

Cardiac Energy Metabolism and Oxidative Stress Biomarkers in Diabetic Rat Treated with Resveratrol

PubMed Central

Carolo dos Santos, Klinsmann; Pereira Braga, Camila; Octavio Barbanera, Pedro; Rodrigues Ferreira Seiva, Fábio; Fernandes Junior, Ary; Fernandes, Ana Angélica Henrique

2014-01-01

Resveratrol (RSV), polyphenol from grape, was studied to evaluate its effects on calorimetric parameters, energy metabolism, and antioxidants in the myocardium of diabetic rats. The animals were randomly divided into four groups (n = 8): C (control group): normal rats; C-RSV: normal rats receiving RSV; DM: diabetic rats; and DM-RSV: diabetics rats receiving RSV. Type 1 diabetes mellitus was induced with administration of streptozotocin (STZ; 60 mg−1 body weight, single dose, i.p.). After 48 hours of STZ administration, the animals received RSV (1.0 mg/kg/day) for gavage for 30 days. Food, water, and energy intake were higher in the DM group, while administration of RSV caused decreases (p<0.05) in these parameters. The glycemia decreased and higher final body weight increased in DM-RSV when compared with the DM group. The diabetic rats showed higher serum-free fatty acid, which was normalized with RSV. Oxygen consumption (VO2) and carbon dioxide production (VCO2) decreased (p<0.05) in the DM group. This was accompanied by reductions in RQ. The C-RSV group showed higher VO2 and VCO2 values. Pyruvate dehydrogenase activity was lower in the DM group and normalizes with RSV. The DM group exhibited higher myocardial β-hydroxyacyl coenzyme-A dehydrogenase and citrate synthase activity, and RSV decreased the activity of these enzymes. The DM group had higher cardiac lactate dehydrogenase compared to the DM-RSV group. Myocardial protein carbonyl was increased in the DM group. RSV increased reduced glutathione in the cardiac tissue of diabetic animals. The glutathione reductase activity was higher in the DM-RSV group compared to the DM group. In conclusion, diabetes is accompanied by cardiac energy metabolism dysfunction and change in the biomarkers of oxidative stress. The cardioprotective effect may be mediated through RVS's ability to normalize free fatty acid oxidation, enhance utilization glucose, and control the biomarkers' level of oxidative stress under diabetic conditions. PMID:25050809

Thermal Degradation of Complexes Derived from Cu (II) Groundnut (Arachis hypogaea) and Sesame (Sesamum indicum) Soaps

NASA Astrophysics Data System (ADS)

Joram, Anju; Sharma, Rashmi; Sharma, Arun kumar

2018-05-01

The complexes have been synthesized from Cu (II) soaps of groundnut (Arachis hypogaea) and sesame (Sesamum indicum) oils, with ligand containing nitrogen and sulfur atoms like 2-amino-6-methyl benzothiazole. The complexes were greenish brown in color. In order to study TGA, first characterized them by elemental analysis, and spectroscopic technique such as IR, NMR and ESR. From the analytical data, the stoichiometry's of the complexes have been observed to be 1:1 (metal:ligand). These complexes have been thermally analyzed using TGA techniques to determine their energy of activation. These complexes show three step thermal degradation corresponding to fatty acid components of the edible oils and each complex has three decomposition steps in the range of 439-738 K. Various equations like Coats-Redfern (CR), Horowitz-Metzger (HM) and Broido equations (BE) were applied to evaluate the energy of activation. The values of energy of activation are observed to be in the following order for both copper groundnut benzothiazole (CGB) and copper sesame benzothiazole (CSeB) complexes: CGB > CSeB. CGB is observed to be more stable than CSeB due to its higher activation energy. The above studies would provide significant information regarding the applications of synthesized agrochemicals and their safe removal through parameters obtained in degradation curves and its relation with energy.

Consequences of lower food intake on the digestive enzymes activities, the energy reserves and the reproductive outcome in Gammarus fossarum.

PubMed

Charron, Laetitia; Geffard, Olivier; Chaumot, Arnaud; Coulaud, Romain; Jaffal, Ali; Gaillet, Véronique; Dedourge-Geffard, Odile; Geffard, Alain

2015-01-01

Digestive enzyme activity is often used as a sensitive response to environmental pollution. However, only little is known about the negative effects of stress on digestive capacities and their consequences on energy reserves and reproduction, although these parameters are important for the maintenance of populations. To highlight if changes in biochemical responses (digestive enzymes and reserves) led to impairments at an individual level (fertility), Gammarus fossarum were submitted to a lower food intake throughout a complete female reproductive cycle (i.e. from ovogenesis to offspring production). For both males and females, amylase activity was inhibited by the diet stress, whereas trypsin activity was not influenced. These results underline similar sensitivity of males and females concerning their digestive capacity. Energy reserves decreased with food starvation in females, and remained stable in males. The number of embryos per female decreased with food starvation. Lower digestive activity in males and females therefore appears as an early response. These results underline the ecological relevance of digestive markers, as they make it possible to anticipate upcoming consequences on reproduction in females, a key biological variable for population dynamics.

In Vivo Fluorescence Resonance Energy Transfer Imaging for Targeted Anti-Cancer Drug Delivery Kinetics

NASA Astrophysics Data System (ADS)

Webb, Kevin; Gaind, Vaibhav; Tsai, Hsiaorho; Bentz, Brian; Chelvam, Venkatesh; Low, Philip

2012-02-01

We describe an approach for the evaluation of targeted anti-cancer drug delivery in vivo. The method emulates the drug release and activation process through acceptor release from a targeted donor-acceptor pair that exhibits fluorescence resonance energy transfer (FRET). In this case, folate targeting of the cancer cells is used - 40 % of all human cancers, including ovarian, lung, breast, kidney, brain and colon cancer, over-express folate receptors. We demonstrate the reconstruction of the spatially-dependent FRET parameters in a mouse model and in tissue phantoms. The FRET parameterization is incorporated into a source for a diffusion equation model for photon transport in tissue, in a variant of optical diffusion tomography (ODT) called FRET-ODT. In addition to the spatially-dependent tissue parameters in the diffusion model (absorption and diffusion coefficients), the FRET parameters (donor-acceptor distance and yield) are imaged as a function of position. Modulated light measurements are made with various laser excitation positions and a gated camera. More generally, our method provides a new vehicle for studying disease at the molecular level by imaging FRET parameters in deep tissue, and allows the nanometer FRET ruler to be utilized in deep tissue.

Optimal properties for coated titanium implants with the hydroxyapatite layer formed by the pulsed laser deposition technique

NASA Astrophysics Data System (ADS)

Himmlova, Lucia; Dostalova, Tatjana; Jelinek, Miroslav; Bartova, Jirina; Pesakova, V.; Adam, M.

1999-02-01

Pulsed laser deposition technique allow to 'tailor' bioceramic coat for metal implants by the change of deposition conditions. Each attribute is influenced by the several deposition parameters and each parameter change several various properties. Problem caused that many parameters has an opposite function and improvement of one property is followed by deterioration of other attribute. This study monitor influence of each single deposition parameter and evaluate its importance form the point of view of coat properties. For deposition KrF excimer laser in stainless-steel deposition chamber was used. Deposition conditions (ambient composition and pressures, metallic substrate temperature, energy density and target-substrate distance) were changed according to the film properties. A non-coated titanium implant was used as a control. Films with promising mechanical quality underwent an in vitro biological tests -- measurement of proliferation activity, observing cell interactions with macrophages, fibroblasts, testing toxicity of percolates, observing a solubility of hydroxyapatite (HA) coat. Deposition conditions corresponding with the optimal mechanical and biochemical properties are: metal temperature 490 degrees Celsius, ambient-mixture of argon and water vapor, energy density 3 Jcm-2, target-substrate distance 7.5 cm.

A linkage analysis toolkit for studying allosteric networks in ion channels

PubMed Central

2013-01-01

A thermodynamic approach to studying allosterically regulated ion channels such as the large-conductance voltage- and Ca2+-dependent (BK) channel is presented, drawing from principles originally introduced to describe linkage phenomena in hemoglobin. In this paper, linkage between a principal channel component and secondary elements is derived from a four-state thermodynamic cycle. One set of parallel legs in the cycle describes the “work function,” or the free energy required to activate the principal component. The second are “lever operations” activating linked elements. The experimental embodiment of this linkage cycle is a plot of work function versus secondary force, whose asymptotes are a function of the parameters (displacements and interaction energies) of an allosteric network. Two essential work functions play a role in evaluating data from voltage-clamp experiments. The first is the conductance Hill energy WH[g], which is a “local” work function for pore activation, and is defined as kT times the Hill transform of the conductance (G-V) curve. The second is the electrical capacitance energy WC[q], representing “global” gating charge displacement, and is equal to the product of total gating charge per channel times the first moment (VM) of normalized capacitance (slope of Q-V curve). Plots of WH[g] and WC[q] versus voltage and Ca2+ potential can be used to measure thermodynamic parameters in a model-independent fashion of the core gating constituents (pore, voltage-sensor, and Ca2+-binding domain) of BK channel. The method is easily generalized for use in studying other allosterically regulated ion channels. The feasibility of performing linkage analysis from patch-clamp data were explored by simulating gating and ionic currents of a 17-particle model BK channel in response to a slow voltage ramp, which yielded interaction energies deviating from their given values in the range of 1.3 to 7.2%. PMID:23250867

A data-driven and physics-based single-pass retrieval of active-passive microwave covariation and vegetation parameters for the SMAP mission

NASA Astrophysics Data System (ADS)

Entekhabi, D.; Jagdhuber, T.; Das, N. N.; Baur, M.; Link, M.; Piles, M.; Akbar, R.; Konings, A. G.; Mccoll, K. A.; Alemohammad, S. H.; Montzka, C.; Kunstmann, H.

2016-12-01

The active-passive soil moisture retrieval algorithm of NASA's SMAP mission depends on robust statistical estimation of active-passive covariation (β) and vegetation structure (Γ) parameters in order to provide reliable global measurements of soil moisture on an intermediate level (9km) compared to the native resolution of the radiometer (36km) and radar (3km) instruments. These parameters apply to the SMAP radiometer-radar combination over the period of record that was cut short with the end of the SMAP radar transmission. They also apply to the current SMAP radiometer and Sentinel 1A/B radar combination for high-resolution surface soil moisture mapping. However, the performance of the statistically-based approach is directly dependent on the selection of a representative time frame in which these parameters can be estimated assuming dynamic soil moisture and stationary soil roughness and vegetation cover. Here, we propose a novel, data-driven and physics-based single-pass retrieval of active-passive microwave covariation and vegetation parameters for the SMAP mission. The algorithm does not depend on time series analyses and can be applied using minimum one pair of an active-passive acquisition. The algorithm stems from the physical link between microwave emission and scattering via conservation of energy. The formulation of the emission radiative transfer is combined with the Distorted Born Approximation of radar scattering for vegetated land surfaces. The two formulations are simultaneously solved for the covariation and vegetation structure parameters. Preliminary results from SMAP active-passive observations (April 13th to July 7th 2015) compare well with the time-series statistical approach and confirms the capability of this method to estimate these parameters. Moreover, the method is not restricted to a given frequency (applies to both L-band and C-band combinations for the radar) or incidence angle (all angles and not just the fixed 40° incidence). Therefore, the approach is applicable to the combination of SMAP and Sentinel-1A/B data for active-passive and high-resolution soil moisture estimation.

Energetic investigation of the adsorption process of CH4, C2H6 and N2 on activated carbon: Numerical and statistical physics treatment

NASA Astrophysics Data System (ADS)

Ben Torkia, Yosra; Ben Yahia, Manel; Khalfaoui, Mohamed; Al-Muhtaseb, Shaheen A.; Ben Lamine, Abdelmottaleb

2014-01-01

The adsorption energy distribution (AED) function of a commercial activated carbon (BDH-activated carbon) was investigated. For this purpose, the integral equation is derived by using a purely analytical statistical physics treatment. The description of the heterogeneity of the adsorbent is significantly clarified by defining the parameter N(E). This parameter represents the energetic density of the spatial density of the effectively occupied sites. To solve the integral equation, a numerical method was used based on an adequate algorithm. The Langmuir model was adopted as a local adsorption isotherm. This model is developed by using the grand canonical ensemble, which allows defining the physico-chemical parameters involved in the adsorption process. The AED function is estimated by a normal Gaussian function. This method is applied to the adsorption isotherms of nitrogen, methane and ethane at different temperatures. The development of the AED using a statistical physics treatment provides an explanation of the gas molecules behaviour during the adsorption process and gives new physical interpretations at microscopic levels.

The role of different sampling methods in improving biological activity prediction using deep belief network.

PubMed

Ghasemi, Fahimeh; Fassihi, Afshin; Pérez-Sánchez, Horacio; Mehri Dehnavi, Alireza

2017-02-05

Thousands of molecules and descriptors are available for a medicinal chemist thanks to the technological advancements in different branches of chemistry. This fact as well as the correlation between them has raised new problems in quantitative structure activity relationship studies. Proper parameter initialization in statistical modeling has merged as another challenge in recent years. Random selection of parameters leads to poor performance of deep neural network (DNN). In this research, deep belief network (DBN) was applied to initialize DNNs. DBN is composed of some stacks of restricted Boltzmann machine, an energy-based method that requires computing log likelihood gradient for all samples. Three different sampling approaches were suggested to solve this gradient. In this respect, the impact of DBN was applied based on the different sampling approaches mentioned above to initialize the DNN architecture in predicting biological activity of all fifteen Kaggle targets that contain more than 70k molecules. The same as other fields of processing research, the outputs of these models demonstrated significant superiority to that of DNN with random parameters. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Paffenbarger Physical Activity Questionnaire as an additional tool in clinical assessment of patients with coronary artery disease treated with angioplasty.

PubMed

Nowak, Zbigniew; Plewa, Michał; Skowron, Małgorzata; Markiewicz, Andrzej; Kucio, Cezary; Osiadło, Grazyna

2010-01-01

The association between frequency, intensity and duration of physical activity and the risk of cardiovascular disease has been investigated in several studies. Out of many methods used for assessment of physical activity, a questionnaire seems to be a simple and affordable method of assessing the risk of coronary artery disease (CAD). However, the number of clinical studies investigating the usefulness of physical activity questionnaires is limited. To analyse the usefulness of Paffenbarger Physical Activity Questionnaire (PPAQ) in assessment of the correlation between the magnitude of physical activity-related energy expenditure and physical capacity assessed with treadmill exercise test (ET), risk of early onset of major adverse cardiovascular events (MACE) and selected haemodynamic parameters in patients with CAD. The study group consisted of 211 patients aged 34-79 years (mean 59) with CAD, with or without previous myocardial infarction (MI). All patients were surveyed using PPAQ at the time of PCI and then 6 months later together with ET and echocardiography. There was a significant correlation between the value of activity-related weekly energy expenditure assessed with the PPAQ and selected parameters of ET (duration: r = 0.2966, p < 0.0001; METs: r = 0.2221, p < 0.001; VO(2)max: r = 0.3075, p < 0.0001; resting HR: r = 0.1615, p < 0.01 and maximal HR: r = -0.1475, p < 0.01) and echocardiography (LVESD r = 0.2346, p < 0.0001). After the PCI procedure, there was a considerable increase in physical capacity (ET duration: 5.82 vs. 7.48 min, p < 0.0001; MET: 7.57 vs. 9.18, p < 0.0001; VO(2)max: 29.23 vs. 34.79 ml, p < 0.0001; HRmax: 123 vs. 132 beats/min, p < 0.0001) and LV function (EF% 51.64 vs. 52.45%, p < 0.01). There was an insignificant change in total physical activity-related energy expenditure of low intensity (< 4 MET), not exceeding 2000 kcal/week (from 3120.13 to 3139.18 kcal/week, p > 0.05). Thirty-seven patients with MACE had a trend towards a lower value of average weekly energy expenditure than the remaining 174 patients (2690.71 vs. 3206.06 kcal/week, NS). High values of correlation coefficients between the questionnaire results and some variables of ET and echocardiography examination make the PPAQ a useful tool in clinical studies.

The SLAC linac as used in the SLC collider

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

Seeman, J.T.; Abrams, G.; Adolphsen, C.

The linac of the SLAC Linear Collider (SLC) must accelerate three high intensity bunches on each linac pulse from 1.2 GeV to 50 GeV with minimal increase of the small transverse emittance. The procedures and adjustments used to obtain this goal are outlined. Some of the accelerator parameters and components which interact are the beam energy, transverse position, component alignment, RF manipulation, feedback systems, quadrupole lattice, BNS damping, energy spectra, phase space matching, collimation, instrumentation and modelling. The method to bring these interdependent parameters collectively into specification has evolved over several years. This review is ordered in the sequence whichmore » is used to turn on the linac from a cold start and produce acceptable beams for the final focus and collisions. Approximate time estimates for the various activities are given. 21 refs.« less

Environmental Management vitrification activities

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

Krumrine, P.H.

1996-05-01

Both the Mixed Waste and Landfill Stabilization Focus Areas as part of the Office of Technology Development efforts within the Department of Energy`s (DOE) Environmental Management (EM) Division have been developing various vitrification technologies as a treatment approach for the large quantities of transuranic (TRU), TRU mixed and Mixed Low Level Wastes that are stored in either landfills or above ground storage facilities. The technologies being developed include joule heated, plasma torch, plasma arc, induction, microwave, combustion, molten metal, and in situ methods. There are related efforts going into development glass, ceramic, and slag waste form windows of opportunity formore » the diverse quantities of heterogeneous wastes needing treatment. These studies look at both processing parameters, and long term performance parameters as a function of composition to assure that developed technologies have the right chemistry for success.« less

[Morphophysiological and Behavioral Adaptations of Elk to Wintering].

PubMed

Glushkov, V M; Kuznetsov, G V

2015-01-01

This paper studies morphometric parameters (body weight, weight of internal organs, body size, etc.) in 170 elk of various sex and age obtained in the Vyatka taiga area in winter. A number of physiological parameters (specific metabolism and thermal conductivity, heat loss rate, etc.) characterizing the metabolic rate and energy balance in the body were calculated for model animals (calf, male, and female). It is noted that in the transition from the first to the second half of winter the specific metabolism in model animals decreased from 20.6, 16.9, and 15.9 to 18.7, 15.4, and 14.5 kcal/(kg day), respectively. It is shown that changes in the rhythm of motor activity of elk are synchronized with the daily air temperature and the maximum flight distance depends on the amount of energy received by the body with food.

A non-ideal portal frame energy harvester controlled using a pendulum

NASA Astrophysics Data System (ADS)

Iliuk, I.; Balthazar, J. M.; Tusset, A. M.; Piqueira, J. R. C.; Rodrigues de Pontes, B.; Felix, J. L. P.; Bueno, Á. M.

2013-09-01

A model of energy harvester based on a simple portal frame structure is presented. The system is considered to be non-ideal system (NIS) due to interaction with the energy source, a DC motor with limited power supply and the system structure. The nonlinearities present in the piezoelectric material are considered in the piezoelectric coupling mathematical model. The system is a bi-stable Duffing oscillator presenting a chaotic behavior. Analyzing the average power variation, and bifurcation diagrams, the value of the control variable that optimizes power or average value that stabilizes the chaotic system in the periodic orbit is determined. The control sensitivity is determined to parametric errors in the damping and stiffness parameters of the portal frame. The proposed passive control technique uses a simple pendulum to tuned to the vibration of the structure to improve the energy harvesting. The results show that with the implementation of the control strategy it is possible to eliminate the need for active or semi active control, usually more complex. The control also provides a way to regulate the energy captured to a desired operating frequency.

Compensation effect during the pyrolysis of tyres and bamboo.

PubMed

Mui, Edward L K; Cheung, W H; Lee, Vinci K C; McKay, Gordon

2010-05-01

Pyrolysis parameters (e.g. pre-exponential factor A, and activation energy E) of two waste materials, namely, tyre rubber and bamboo scaffolding, based on the Arrhenius equation were obtained from weight loss data via thermogravimetry at different heating rates. The compensation effect, which suggests that the linear variation in the pre-exponential factor and the activation energy, was observed for these materials. This can be attributed to the variety of active sites over the reactant surface in the course of decomposition. The calculated data from several revised, first-order models were compared with similar models in the literature. It has been shown that both literature and our calculated data exhibit high linearity in terms of lnA and E, revealing that the latter agree well with other researchers' work. Copyright (c) 2010 Elsevier Ltd. All rights reserved.

Computational analysis of an autophagy/translation switch based on mutual inhibition of MTORC1 and ULK1

DOE PAGES

Szymańska, Paulina; Martin, Katie R.; MacKeigan, Jeffrey P.; ...

2015-03-11

We constructed a mechanistic, computational model for regulation of (macro)autophagy and protein synthesis (at the level of translation). The model was formulated to study the system-level consequences of interactions among the following proteins: two key components of MTOR complex 1 (MTORC1), namely the protein kinase MTOR (mechanistic target of rapamycin) and the scaffold protein RPTOR; the autophagy-initiating protein kinase ULK1; and the multimeric energy-sensing AMP-activated protein kinase (AMPK). Inputs of the model include intrinsic AMPK kinase activity, which is taken as an adjustable surrogate parameter for cellular energy level or AMP:ATP ratio, and rapamycin dose, which controls MTORC1 activity. Outputsmore » of the model include the phosphorylation level of the translational repressor EIF4EBP1, a substrate of MTORC1, and the phosphorylation level of AMBRA1 (activating molecule in BECN1-regulated autophagy), a substrate of ULK1 critical for autophagosome formation. The model incorporates reciprocal regulation of mTORC1 and ULK1 by AMPK, mutual inhibition of MTORC1 and ULK1, and ULK1-mediated negative feedback regulation of AMPK. Through analysis of the model, we find that these processes may be responsible, depending on conditions, for graded responses to stress inputs, for bistable switching between autophagy and protein synthesis, or relaxation oscillations, comprising alternating periods of autophagy and protein synthesis. A sensitivity analysis indicates that the prediction of oscillatory behavior is robust to changes of the parameter values of the model. The model provides testable predictions about the behavior of the AMPK-MTORC1-ULK1 network, which plays a central role in maintaining cellular energy and nutrient homeostasis.« less

Review of concrete biodeterioration in relation to nuclear waste.

PubMed

Turick, Charles E; Berry, Christopher J

2016-01-01

Storage of radioactive waste in concrete structures is a means of containing wastes and related radionuclides generated from nuclear operations in many countries. Previous efforts related to microbial impacts on concrete structures that are used to contain radioactive waste showed that microbial activity can play a significant role in the process of concrete degradation and ultimately structural deterioration. This literature review examines the research in this field and is focused on specific parameters that are applicable to modeling and prediction of the fate of concrete structures used to store or dispose of radioactive waste. Rates of concrete biodegradation vary with the environmental conditions, illustrating a need to understand the bioavailability of key compounds involved in microbial activity. Specific parameters require pH and osmotic pressure to be within a certain range to allow for microbial growth as well as the availability and abundance of energy sources such as components involved in sulfur, iron and nitrogen oxidation. Carbon flow and availability are also factors to consider in predicting concrete biodegradation. The microbial contribution to degradation of the concrete structures containing radioactive waste is a constant possibility. The rate and degree of concrete biodegradation is dependent on numerous physical, chemical and biological parameters. Parameters to focus on for modeling activities and possible options for mitigation that would minimize concrete biodegradation are discussed and include key conditions that drive microbial activity on concrete surfaces. Copyright © 2015. Published by Elsevier Ltd.

Prediction of the ageing of commercial lager beer during storage based on the degradation of iso-α-acids.

PubMed

Blanco, Carlos A; Nimubona, Dieudonné; Caballero, Isabel

2014-08-01

Iso-α-acids and their chemically modified variants are responsible for the bitterness of beer and play a disproportionately large role in the final quality of beer. The current study was undertaken to predict the degradation of commercial lager beers related to changes in the concentration of trans-iso-α-acids during storage by using high-pressure liquid chromatography. In the analysed beers the concentration of isohumulone (average concentration 28 mg L(-1)) was greater than that of isocohumulone (20 mg L(-1)) and isoadhumulone (10 mg L(-1)). The kinetic parameters, activation energy and rate constant, of the trans-iso-α-acids were calculated. In the case of dark beers, the activation energy for the degradation of trans-isocohumulones was found to be higher than for trans-isohumulones and trans-isoadhumulones, whereas in pale and alcohol-free beers activation energies for the degradation of the three trans isomers were similar. The loss of iso-α-acids can be calculated using the activation energy of the degradation of trans-iso-α-acids and the temperature profile of the accelerated ageing. The results obtained in the investigation can be used in the beer industry to predict the alteration of the bitterness of beer during storage. © 2013 Society of Chemical Industry.

An ISEE 3 high time resolution study of interplanetary parameter correlations with magnetospheric activity

NASA Technical Reports Server (NTRS)

Baker, D. N.; Zwickl, R. D.; Bame, S. J.; Hones, E. W., Jr.; Tsurutani, B. T.; Smith, E. J.; Akasofu, S.-I.

1983-01-01

The coupling between the solar wind and the geomagnetic disturbances was examined using data from the ISEE-3 spacecraft at an earth-sun libration point and ground-based data. One minute data were used to avoid aliasing in determining the internal magnetospheric response to solar wind conditions. Attention was given to the cross-correlations between the geomagnetic index (AE), the total energy dissipation rate (UT), and the solar wind parameters, as well as the spatial and temporal scales on which the magnetosphere reacts to the solar wind conditions. It was considered necessary to characterize the physics of the solar wind-magnetosphere coupling in order to define the requirements for a spacecraft like the ISEE-3 that could be used as a real time monitoring system for predicting storms and substorms. The correlations among all but one parameter were lower during disturbance intervals; UT was highly correlated with all parameters during the disturbed times. An intrinsic 25-40 min delay was detected between interplanetary activity and magnetospheric response in quite times, diminishing to no more than 15 min during disturbed times.

The Cluster Variation Method: A Primer for Neuroscientists.

PubMed

Maren, Alianna J

2016-09-30

Effective Brain-Computer Interfaces (BCIs) require that the time-varying activation patterns of 2-D neural ensembles be modelled. The cluster variation method (CVM) offers a means for the characterization of 2-D local pattern distributions. This paper provides neuroscientists and BCI researchers with a CVM tutorial that will help them to understand how the CVM statistical thermodynamics formulation can model 2-D pattern distributions expressing structural and functional dynamics in the brain. The premise is that local-in-time free energy minimization works alongside neural connectivity adaptation, supporting the development and stabilization of consistent stimulus-specific responsive activation patterns. The equilibrium distribution of local patterns, or configuration variables , is defined in terms of a single interaction enthalpy parameter ( h ) for the case of an equiprobable distribution of bistate (neural/neural ensemble) units. Thus, either one enthalpy parameter (or two, for the case of non-equiprobable distribution) yields equilibrium configuration variable values. Modeling 2-D neural activation distribution patterns with the representational layer of a computational engine, we can thus correlate variational free energy minimization with specific configuration variable distributions. The CVM triplet configuration variables also map well to the notion of a M = 3 functional motif. This paper addresses the special case of an equiprobable unit distribution, for which an analytic solution can be found.

AE Geomagnetic Index Predictability for High Speed Solar Wind Streams: A Wavelet Decomposition Technique

NASA Technical Reports Server (NTRS)

Guarnieri, Fernando L.; Tsurutani, Bruce T.; Hajra, Rajkumar; Echer, Ezequiel; Gonzalez, Walter D.; Mannucci, Anthony J.

2014-01-01

High speed solar wind streams cause geomagnetic activity at Earth. In this study we have applied a wavelet interactive filtering and reconstruction technique on the solar wind magnetic field components and AE index series to allowed us to investigate the relationship between the two. The IMF Bz component was found as the most significant solar wind parameter responsible by the control of the AE activity. Assuming magnetic reconnection associated to southward directed Bz is the main mechanism transferring energy into the magnetosphere, we adjust parameters to forecast the AE index. The adjusted routine is able to forecast AE, based only on the Bz measured at the L1 Lagrangian point. This gives a prediction approximately 30-70 minutes in advance of the actual geomagnetic activity. The correlation coefficient between the observed AE data and the forecasted series reached values higher than 0.90. In some cases the forecast reproduced particularities observed in the signal very well.The high correlation values observed and the high efficacy of the forecasting can be taken as a confirmation that reconnection is the main physical mechanism responsible for the energy transfer during HILDCAAs. The study also shows that the IMF Bz component low frequencies are most important for AE prediction.

Radio afterglow rebrightening: evidence for multiple active phases in gamma-ray burst central engines

NASA Astrophysics Data System (ADS)

Li, Long-Biao; Zhang, Zhi-Bin; Rice, Jared

2015-09-01

The rebrightening phenomenon is an interesting feature in some X-ray, optical, and radio afterglows of gamma-ray bursts (GRBs). Here, we propose a possible energy-supply assumption to explain the rebrightenings of radio afterglows, in which the central engine with multiple active phases can supply at least two GRB pulses in a typical GRB duration time. Considering the case of double pulses supplied by the central engine, the double pulses have separate physical parameters, except for the number density of the surrounding interstellar medium (ISM). Their independent radio afterglows are integrated by the ground detectors to form the rebrightening phenomenon. In this Letter, we firstly simulate diverse rebrightening light curves under consideration of different and independent physical parameters. Using this assumption, we also give our best fit to the radio afterglow of GRB 970508 at three frequencies of 1.43, 4.86, and 8.46 GHz. We suggest that the central engine may be active continuously at a timescale longer than that of a typical GRB duration time as many authors have suggested (e.g., Zhang et al., Astrophys. J. 787:66, 2014; Gao and Mészáros, Astrophys. J. 802:90, 2015), and that it may supply enough energy to cause the long-lasting rebrightenings observed in some GRB afterglows.

The Cluster Variation Method: A Primer for Neuroscientists

PubMed Central

Maren, Alianna J.

2016-01-01

Effective Brain–Computer Interfaces (BCIs) require that the time-varying activation patterns of 2-D neural ensembles be modelled. The cluster variation method (CVM) offers a means for the characterization of 2-D local pattern distributions. This paper provides neuroscientists and BCI researchers with a CVM tutorial that will help them to understand how the CVM statistical thermodynamics formulation can model 2-D pattern distributions expressing structural and functional dynamics in the brain. The premise is that local-in-time free energy minimization works alongside neural connectivity adaptation, supporting the development and stabilization of consistent stimulus-specific responsive activation patterns. The equilibrium distribution of local patterns, or configuration variables, is defined in terms of a single interaction enthalpy parameter (h) for the case of an equiprobable distribution of bistate (neural/neural ensemble) units. Thus, either one enthalpy parameter (or two, for the case of non-equiprobable distribution) yields equilibrium configuration variable values. Modeling 2-D neural activation distribution patterns with the representational layer of a computational engine, we can thus correlate variational free energy minimization with specific configuration variable distributions. The CVM triplet configuration variables also map well to the notion of a M = 3 functional motif. This paper addresses the special case of an equiprobable unit distribution, for which an analytic solution can be found. PMID:27706022

The Electro-Oxidation of Ethylene Glycol on Platinum over a Wide pH Range: Oscillations and Temperature Effects

PubMed Central

Sitta, Elton; Nagao, Raphael; Varela, Hamilton

2013-01-01

We report a comprehensive study of the electro-oxidation of ethylene glycol (EG) on platinum with emphasis on the effects exerted by the electrolyte pH, the EG concentration, and temperature, under both regular and oscillatory conditions. We extracted and discussed parameters such as voltammetric activity, reaction orders (with respect to [EG]), oscillation’s amplitude, frequency and waveform, and the evolution of the mean electrode potential at six pH values from 0 to 14. In addition, we obtained the apparent activation energies under several different conditions. Overall, we observed that increasing the electrolyte pH results in a discontinuous transition in most properties studied under both voltammetric and oscillatory regimes. As a relevant result in this direction, we found that the increase in the reaction order with pH is mediated by a minimum (~ 0) at pH = 12. Furthermore, the solution pH strongly affects all features investigated, c.f. the considerable increase in the oscillatory frequency and the decrease in the, oscillatory, activation energy as the pH increase. We suggest that adsorbed CO is probably the main surface-blocking species at low pH, and its absence at high pH is likely to be the main reason behind the differences observed. The size of the parameter region investigated and the amount of comparable parameters and properties presented in this study, as well as the discussion that followed illustrate the strategy of combining investigations under conventional and oscillatory regimes of electrocatalytic systems. PMID:24058650

Synthesis, thermolysis, and sensitivities of HMX/NC energetic nanocomposites.

PubMed

Wang, Yi; Song, Xiaolan; Song, Dan; Liang, Li; An, Chongwei; Wang, Jingyu

2016-07-15

1,3,5,7-Tetranittro-1,3,5,7-tetrazocane/nitrocellulose (HMX/NC) nanocomposites were successfully synthesized by an improved sol-gel-supercritical method. NC nanoparticles with a size of ∼30nm were cross-linked to form a network structure, and HMX nanoparticles were imbedded in the nano-NC matrix. The key factors, i.e., the selection of catalyst and solvent, were probed. No phase transformation of the HMX occurred before or after fabrication, and the molecular structures of the HMX and NC did not change. Thermal analyses were performed, and the kinetic and thermodynamic parameters, such as activation energy (EK), per-exponent factor (lnAK), rate constant (k), activation heat (ΔH(≠)), activation free energy (ΔG(≠)), activation entropy (ΔS(≠)), critical temperature of thermal explosion (Tb), and critical heating rate of thermal explosion (dT/dt)Tb, were calculated. The results indicate that HMX/NC presented a much lower activation energy (165.03kJ/mol) than raw HMX (282.5kJ/mol) or raw NC (175.51kJ/mol). The chemical potential (ΔG(≠)) for the thermal decomposition of HMX/NC has a positive value, which means that the activation of the molecules would not proceed spontaneously. The significantly lower ΔH(≠) value of HMX/NC, which represents the heat needed to be absorbed by an explosive molecule to change it from its initial state to an activated state, implies that the molecules of HMX/NC are much easier to be activated than those of raw HMX. Similarly, the HMX/NC presented a much lower Tb (168.2°C) than raw HMX (283.2°C). From the results of the sensitivity tests, the impact and friction sensitivities of HMX/NC were significantly decreased compared with those of raw HMX, but the thermal sensitivity was distinctly higher. The activation of the particles under external stimulation was simulated, and the mechanism was found to be crucial. Combining the thermodynamic parameters, the mechanism as determined from the results of the sensitivity tests was discussed in detail. Copyright © 2016 Elsevier B.V. All rights reserved.

System for controlling a hybrid energy system

DOEpatents

Hoff, Brian D.; Akasam, Sivaprasad

2013-01-29

A method includes identifying a first operating sequence of a repeated operation of at least one non-traction load. The method also includes determining first and second parameters respectively indicative of a requested energy and output energy of the at least one non-traction load and comparing the determined first and second parameters at a plurality of time increments of the first operating sequence. The method also includes determining a third parameter of the hybrid energy system indicative of energy regenerated from the at least one non-traction load and monitoring the third parameter at the plurality of time increments of the first operating sequence. The method also includes determining at least one of an energy deficiency or an energy surplus associated with the non-traction load of the hybrid energy system and selectively adjusting energy stored within the storage device during at least a portion of a second operating sequence.

Turbulence, selective decay, and merging in the SSX plasma wind tunnel

NASA Astrophysics Data System (ADS)

Gray, Tim; Brown, Michael; Flanagan, Ken; Werth, Alexandra; Lukin, V.

2012-10-01

A helical, relaxed plasma state has been observed in a long cylindrical volume. The cylinder has dimensions L = 1 m and R = 0.08 m. The cylinder is long enough so that the predicted minimum energy state is a close approximation to the infinite cylinder solution. The plasma is injected at v >=50 km/s by a coaxial magnetized plasma gun located at one end of the cylindrical volume. Typical plasma parameters are Ti= 25 eV, ne>=10^15 cm-3, and B = 0.25 T. The relaxed state is rapidly attained in 1--2 axial Alfv'en times after initiation of the plasma. Magnetic data is favorably compared with an analytical model. Magnetic data exhibits broadband fluctuations of the measured axial modes during the formation period. The broadband activity rapidly decays as the energy condenses into the lowest energy mode, which is in agreement to the minimum energy eigenstate of ∇xB = λB. While the global structure roughly corresponds to the minimum energy eigenstate for the wind tunnel geometry, the plasma is high beta (β= 0.5) and does not have a flat λ profile. Merging of two plasmoids in this configuration results in noticeably more dynamic activity compared to a single plasmoid. These episodes of activity exhibit s

The study on molecular structure and microbiological activity of alkali metal 3-hydroxyphenylycetates

NASA Astrophysics Data System (ADS)

Samsonowicz, M.; Regulska, E.; Kowczyk-Sadowy, M.; Butarewicz, A.; Lewandowski, W.

2017-10-01

The biological activity of chemical compounds depends on their molecular structure. In this paper molecular structure of 3-hydroxyphenylacetates in comparison to 3-hydroxyphenylacetic acid was studied. FT-IR, FT-Raman and NMR spectroscopy and density functional theory (DFT) calculations was used. The B3LYP/6-311++G(d,p) hybrid functional method was used to calculate optimized geometrical structures of studied compounds. The Mulliken, APT, MK, ChelpG and NBO atomic charges as well as dipole moment and energy values were calculated. Theoretical chemical shifts in NMR spectra and the wavenumbers and intensities of the bands in vibrational spectra were analyzed. Calculated parameters were compared to experimental characteristic of studied compounds. Microbiological analysis of studied compounds was performed relative to: Bacillus subtilis, Pseudomonas aeruginosa, Escherichia coli and Klebsiella oxytoca. The relationship between spectroscopic and structure parameters of studied compounds in regard to their activity was analyzed.

The Degradation Interface of Magnesium Based Alloys in Direct Contact with Human Primary Osteoblast Cells

PubMed Central

Willumeit-Römer, Regine; Laipple, Daniel; Luthringer, Bérengère; Feyerabend, Frank

2016-01-01

Magnesium alloys have been identified as a new generation material of orthopaedic implants. In vitro setups mimicking physiological conditions are promising for material / degradation analysis prior to in vivo studies however the direct influence of cell on the degradation mechanism has never been investigated. For the first time, the direct, active, influence of human primary osteoblasts on magnesium-based materials (pure magnesium, Mg-2Ag and Mg-10Gd alloys) is studied for up to 14 days. Several parameters such as composition of the degradation interface (directly beneath the cells) are analysed with a scanning electron microscope equipped with energy dispersive X-ray and focused ion beam. Furthermore, influence of the materials on cell metabolism is examined via different parameters like active mineralisation process. The results are highlighting the influences of the selected alloying element on the initial cells metabolic activity. PMID:27327435

The Degradation Interface of Magnesium Based Alloys in Direct Contact with Human Primary Osteoblast Cells.

PubMed

Ahmad Agha, Nezha; Willumeit-Römer, Regine; Laipple, Daniel; Luthringer, Bérengère; Feyerabend, Frank

2016-01-01

Magnesium alloys have been identified as a new generation material of orthopaedic implants. In vitro setups mimicking physiological conditions are promising for material / degradation analysis prior to in vivo studies however the direct influence of cell on the degradation mechanism has never been investigated. For the first time, the direct, active, influence of human primary osteoblasts on magnesium-based materials (pure magnesium, Mg-2Ag and Mg-10Gd alloys) is studied for up to 14 days. Several parameters such as composition of the degradation interface (directly beneath the cells) are analysed with a scanning electron microscope equipped with energy dispersive X-ray and focused ion beam. Furthermore, influence of the materials on cell metabolism is examined via different parameters like active mineralisation process. The results are highlighting the influences of the selected alloying element on the initial cells metabolic activity.

Vibrational spectroscopic and DFT calculation studies of 2-amino-7-bromo-5-oxo-[1]benzopyrano [2,3-b]pyridine-3 carbonitrile

NASA Astrophysics Data System (ADS)

Premkumar, S.; Jawahar, A.; Mathavan, T.; Kumara Dhas, M.; Milton Franklin Benial, A.

2015-03-01

The vibrational spectra of 2-amino-7-bromo-5-oxo-[1]benzopyrano [2,3-b]pyridine-3 carbonitrile were recorded using fourier transform-infrared and fourier transform-Raman spectrometer. The optimized structural parameters, vibrational frequencies, Mulliken atomic charge distribution, frontier molecular orbitals, thermodynamic properties, temperature dependence of thermodynamic parameters, first order hyperpolarizability and natural bond orbital calculations of the molecule were performed using the Gaussian 09 program. The vibrational frequencies were assigned on the basis of potential energy distribution calculation using the VEDA 4.0 program. The calculated first order hyperpolarizability of ABOBPC molecule was obtained as 6.908 × 10-30 issue, which was 10.5 times greater than urea. The nonlinear optical activity of the molecule was also confirmed by the frontier molecular orbitals and natural bond orbital analysis. The frontier molecular orbitals analysis shows that the lower energy gap of the molecule, which leads to the higher value of first order hyperpolarizability. The natural bond orbital analysis indicates that the nonlinear optical activity of the molecule arises due to the π → π∗ transitions. The Mulliken atomic charge distribution confirms the presence of intramolecular charge transfer within the molecule. The reactive site of the molecule was predicted from the molecular electrostatic potential contour map. The values of thermo dynamic parameters were increasing with increasing temperature.

Leptin and energy restriction induced adaptation in energy expenditure.

PubMed

Camps, Stefan G J A; Verhoef, Sanne P M; Westerterp, Klaas R

2015-10-01

Diet-induced weight loss is accompanied by adaptive thermogenesis, i.e. a disproportional reduction of resting energy expenditure (REE) a decrease in physical activity and increased movement economy. To determine if energy restriction induced adaptive thermogenesis and adaptations in physical activity are related to changes in leptin concentrations. Eighty-two healthy subjects (23 men, 59 women), mean ± SD age 41 ± 8 years and BMI 31.9 ± 3.0 kg/m(2), followed a very low energy diet for 8 weeks with measurements before and after the diet. Leptin concentrations were determined from fasting blood plasma. Body composition was assessed with a three-compartment model based on body weight, total body water (deuterium dilution) and body volume (BodPod). REE was measured (REEm) with a ventilated hood and predicted (REEp) from measured body composition. Adaptive thermogenesis was calculated as REEm/REEp. Parameters for the amount of physical activity were total energy expenditure expressed as a multiple of REEm (PAL), activity-induced energy expenditure divided by body weight (AEE/kg) and activity counts measured by a tri-axial accelerometer. Movement economy was calculated as AEE/kg (MJ/kg/d) divided by activity counts (Mcounts/d). Subjects lost on average 10.7 ± 4.1% body weight (P<0.001). Leptin decreased from 26.9 ± 14.3 before to 13.9 ± 11.3 μg/l after the diet (P<0.001). REEm/REEp after the diet (0.963 ± 0.08) was related to changes in leptin levels (R(2)=0.06; P<0.05). There was no significant correlation between changes in leptin concentrations and changes in amount of physical activity. Movement economy changed from 0.036 ± 0.011 J/kg/count to 0.028 ± 0.010 J/kg/count and was correlated to the changes in leptin concentrations (R(2)=0.07; P<0.05). During energy restriction, the decrease in leptin explains part of the variation in adaptive thermogenesis. Changes in leptin are not related to the amount of physical activity but could partly explain the increased movement economy. Copyright © 2015 Elsevier Inc. All rights reserved.

Spectral studies of 2-pyrazoline derivatives: structural elucidation through single crystal XRD and DFT calculations.

PubMed

Chinnaraja, D; Rajalakshmi, R; Srinivasan, T; Velmurugan, D; Jayabharathi, J

2014-04-24

A series of biologically active N-thiocarbamoyl pyrazoline derivatives have been synthesized using anhydrous potassium carbonate as the catalyst. All the synthesized compounds were characterized by FT-IR, (1)H NMR, (13)C NMR spectral studies, LCMS, CHN Analysis and X-ray diffraction analysis (compound 7). In order to supplement the XRD parameters, molecular modelling was carried out by Gaussian 03W. From the optimized structure, the energy, dipolemoment and HOMO-LUMO energies of all the systems were calculated. Copyright © 2014 Elsevier B.V. All rights reserved.

Influences of different dietary energy level on sheep testicular development associated with AMPK/ULK1/autophagy pathway.

PubMed

Pang, Jing; Li, Fengzhe; Feng, Xu; Yang, Hua; Han, Le; Fan, Yixuan; Nie, Haitao; Wang, Zhen; Wang, Feng; Zhang, Yanli

2018-03-01

Energy balance is an important feature for spermatozoa production in the testis. The 5'-AMP-activated protein kinase (AMPK) is a sensor of cell energy, has been implicated as a mediator between gonadal function and energy balance. Herein, we intended to determine the physiological effects of AMPK on testicular development in feed energy restricted and compensated pre-pubertal rams. Lambs had restricted feeding for 2 months and then provided compensatory feeding for another 3 months. Feed levels were 100%(control), 15% and 30% of energy restriction (ER) diets, respectively. The results showed that lambs fed the 30% ER diet had significantly lower testicular weight (P < .05) and spermatids number in the seminiferous tubules, but there were no differences between control and 15% ER groups. Meanwhile, 15% ER and 30% ER diets induced testis autophagy and apoptosis through activating AMPK-ULK1(ULK1, Unc-51 like autophagy activating kinase) signal pathway with characterization of increased Beclin-1 and Light chain 3-Ⅱ/Light chain 3-Ⅰ (LC3-II/LC3-I) ratio, up-regulated the ratio of pro-apoptotic Bcl-2-associated X protein (BAX) and anti-apoptotic B-cell lymphoma 2 (Bcl-2), as well as activated AMPK, phosphorylated AMPK(p-AMPK) and ULK1. Furthermore, a compensation of these parameters occurred when the lambs were re-fed with normal energy requirement after restriction. Taken together, dietary energy levels influence testicular development through autophagy and apoptosis interplay mediated by AMPK-ULK1 signal pathway, which also indicates the important role of the actions of AMPK in the testis homeostasis. Copyright © 2017 Elsevier Inc. All rights reserved.

Active control of noise amplification in the flow over a square leading-edge flat plate utilizing DBD plasma actuator

NASA Astrophysics Data System (ADS)

Yadong, HUANG; Benmou, ZHOU

2018-05-01

Perturbation is generally considered as the flow noise, and its energy can gain transient growth in the separation bubble. The amplified perturbations may cause unstable Kelvin–Helmohltz vortices which induce the three-dimensional transition. Active control of noise amplification via dielectric barrier discharge plasma actuator in the flow over a square leading-edge flat plate is numerically studied. The actuator is installed near the plate leading-edge where the separation bubble is formed. The maximum energy amplification of perturbations is positively correlated with the separation bubble scale which decreases with the increasing control parameters. As the magnitude of noise amplification is reduced, the laminar-turbulent transition is successfully suppressed.

Oxidation kinetics of crystal violet by potassium permanganate in acidic medium

NASA Astrophysics Data System (ADS)

Khan, Sameera Razi; Ashfaq, Maria; Mubashir; Masood, Summyia

2016-05-01

The oxidation kinetics of crystal violet (a triphenylmethane dye) by potassium permanganate was focused in an acidic medium by the spectrophotometric method at 584 nm. The oxidation reaction of crystal violet by potassium permanganate is carried out in an acidic medium at different temperatures ranging within 298-318 K. The kinetic study was carried out to investigate the effect of the concentration, ionic strength and temperature. The reaction followed first order kinetics with respect to potassium permanganate and crystal violet and the overall rate of the reaction was found to be second order. Thermodynamic activation parameters like the activation energy ( E a), enthalpy change (Δ H*), free energy change (Δ G*), and entropy change (Δ S*) have also been evaluated.

Selective chemical detection by energy modulation of sensors

DOEpatents

Stetter, J.R.; Otagawa, T.

1991-09-10

A portable instrument for use in the field in detecting, identifying, and quantifying a component of a sampled fluid includes a sensor which chemically reacts with the component of interest or a derivative thereof, an electrical heating filament for heating the sample before it is applied to the sensor, and modulator for continuously varying the temperature of the filament (and hence the reaction rate) between two values sufficient to produce the chemical reaction. In response to this thermal modulation, the sensor produces a modulated output signal, the modulation of which is a function of the activation energy of the chemical reaction, which activation energy is specific to the particular component of interest and its concentration. Microprocessor which compares the modulated output signal with standard responses for a plurality of components to identify and quantify the particular component of interest. In particular, the concentration of the component of interest is proportional to the amplitude of the modulated output signal, while the identifying activation output energy of the chemical interaction indicative of that component is proportional to a normalized parameter equal to the peak-to-peak amplitude divided by the height of the upper peaks above a base line signal level. 5 figures.

Selective chemical detection by energy modulation of sensors

DOEpatents

Stetter, Joseph R.; Otagawa, Takaaki

1991-01-01

A portable instrument for use in the field in detecting, identifying, and quantifying a component of a sampled fluid includes a sensor which chemically reacts with the component of interest or a derivative thereof, an electrical heating filament for heating the sample before it is applied to the sensor, and modulator for continuously varying the temperature of the filament (and hence the reaction rate) between two values sufficient to produce the chemical reaction. In response to this thermal modulation, the sensor produces a modulated output signal, the modulation of which is a function of the activation energy of the chemical reaction, which activation energy is specific to the particular component of interest and its concentration. Microprocessor which compares the modulated output signal with standard responses for a plurality of components to identify and quantify the particular component of interest. In particular, the concentration of the component of interest is proportional to the amplitude of the modulated output signal, while the identifying activation output energy of the chemical interaction indicative of that component is proportional to a normalized parameter equal to the peak-to-peak amplitude divided by the height of the upper peaks above a base line signal level.

Modeling of Mitochondria Bioenergetics Using a Composable Chemiosmotic Energy Transduction Rate Law: Theory and Experimental Validation

PubMed Central

Chang, Ivan; Heiske, Margit; Letellier, Thierry; Wallace, Douglas; Baldi, Pierre

2011-01-01

Mitochondrial bioenergetic processes are central to the production of cellular energy, and a decrease in the expression or activity of enzyme complexes responsible for these processes can result in energetic deficit that correlates with many metabolic diseases and aging. Unfortunately, existing computational models of mitochondrial bioenergetics either lack relevant kinetic descriptions of the enzyme complexes, or incorporate mechanisms too specific to a particular mitochondrial system and are thus incapable of capturing the heterogeneity associated with these complexes across different systems and system states. Here we introduce a new composable rate equation, the chemiosmotic rate law, that expresses the flux of a prototypical energy transduction complex as a function of: the saturation kinetics of the electron donor and acceptor substrates; the redox transfer potential between the complex and the substrates; and the steady-state thermodynamic force-to-flux relationship of the overall electro-chemical reaction. Modeling of bioenergetics with this rate law has several advantages: (1) it minimizes the use of arbitrary free parameters while featuring biochemically relevant parameters that can be obtained through progress curves of common enzyme kinetics protocols; (2) it is modular and can adapt to various enzyme complex arrangements for both in vivo and in vitro systems via transformation of its rate and equilibrium constants; (3) it provides a clear association between the sensitivity of the parameters of the individual complexes and the sensitivity of the system's steady-state. To validate our approach, we conduct in vitro measurements of ETC complex I, III, and IV activities using rat heart homogenates, and construct an estimation procedure for the parameter values directly from these measurements. In addition, we show the theoretical connections of our approach to the existing models, and compare the predictive accuracy of the rate law with our experimentally fitted parameters to those of existing models. Finally, we present a complete perturbation study of these parameters to reveal how they can significantly and differentially influence global flux and operational thresholds, suggesting that this modeling approach could help enable the comparative analysis of mitochondria from different systems and pathological states. The procedures and results are available in Mathematica notebooks at http://www.igb.uci.edu/tools/sb/mitochondria-modeling.html. PMID:21931590

Modeling of mitochondria bioenergetics using a composable chemiosmotic energy transduction rate law: theory and experimental validation.

PubMed

Chang, Ivan; Heiske, Margit; Letellier, Thierry; Wallace, Douglas; Baldi, Pierre

2011-01-01

Mitochondrial bioenergetic processes are central to the production of cellular energy, and a decrease in the expression or activity of enzyme complexes responsible for these processes can result in energetic deficit that correlates with many metabolic diseases and aging. Unfortunately, existing computational models of mitochondrial bioenergetics either lack relevant kinetic descriptions of the enzyme complexes, or incorporate mechanisms too specific to a particular mitochondrial system and are thus incapable of capturing the heterogeneity associated with these complexes across different systems and system states. Here we introduce a new composable rate equation, the chemiosmotic rate law, that expresses the flux of a prototypical energy transduction complex as a function of: the saturation kinetics of the electron donor and acceptor substrates; the redox transfer potential between the complex and the substrates; and the steady-state thermodynamic force-to-flux relationship of the overall electro-chemical reaction. Modeling of bioenergetics with this rate law has several advantages: (1) it minimizes the use of arbitrary free parameters while featuring biochemically relevant parameters that can be obtained through progress curves of common enzyme kinetics protocols; (2) it is modular and can adapt to various enzyme complex arrangements for both in vivo and in vitro systems via transformation of its rate and equilibrium constants; (3) it provides a clear association between the sensitivity of the parameters of the individual complexes and the sensitivity of the system's steady-state. To validate our approach, we conduct in vitro measurements of ETC complex I, III, and IV activities using rat heart homogenates, and construct an estimation procedure for the parameter values directly from these measurements. In addition, we show the theoretical connections of our approach to the existing models, and compare the predictive accuracy of the rate law with our experimentally fitted parameters to those of existing models. Finally, we present a complete perturbation study of these parameters to reveal how they can significantly and differentially influence global flux and operational thresholds, suggesting that this modeling approach could help enable the comparative analysis of mitochondria from different systems and pathological states. The procedures and results are available in Mathematica notebooks at http://www.igb.uci.edu/tools/sb/mitochondria-modeling.html.

A density functional theory model of mechanically activated silyl ester hydrolysis

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

Pill, Michael F.; Schmidt, Sebastian W.; Institut für Physikalische Chemie, Christian-Albrechts-Universität zu Kiel, Olshausenstraße 40, 24098 Kiel

2014-01-28

To elucidate the mechanism of the mechanically activated dissociation of chemical bonds between carboxymethylated amylose (CMA) and silane functionalized silicon dioxide, we have investigated the dissociation kinetics of the bonds connecting CMA to silicon oxide surfaces with density functional calculations including the effects of force, solvent polarizability, and pH. We have determined the activation energies, the pre-exponential factors, and the reaction rate constants of candidate reactions. The weakest bond was found to be the silyl ester bond between the silicon and the alkoxy oxygen atom. Under acidic conditions, spontaneous proton addition occurs close to the silyl ester such that neutralmore » reactions become insignificant. Upon proton addition at the most favored position, the activation energy for bond hydrolysis becomes 31 kJ mol{sup −1}, which agrees very well with experimental observation. Heterolytic bond scission in the protonated molecule has a much higher activation energy. The experimentally observed bi-exponential rupture kinetics can be explained by different side groups attached to the silicon atom of the silyl ester. The fact that different side groups lead to different dissociation kinetics provides an opportunity to deliberately modify and tune the kinetic parameters of mechanically activated bond dissociation of silyl esters.« less

Blackbody infrared radiative dissociation of bradykinin and its analogues: energetics, dynamics, and evidence for salt-bridge structures in the gas phase.

PubMed

Schnier, P D; Price, W D; Jockusch, R A; Williams, E R

1996-07-31

Blackbody infrared radiative dissociation (BIRD) spectra of singly and doubly protonated bradykinin and its analogues are measured in a Fourier-transform mass spectrometer. Rate constants for dissociation are measured as a function of temperature with reaction delays up to 600 s. From these data, Arrhenius activation parameters in the zero-pressure limit are obtained. The activation parameters and dissociation products for the singly protonated ions are highly sensitive to small changes in ion structure. The Arrhenius activation energy (E(a)) and pre-exponential (or frequency factor, A) of the singly protonated ions investigated here range from 0.6 to 1.4 eV and 10(5) to 10(12) s(-1), respectively. For bradykinin and its analogues differing by modification of the residues between the two arginine groups on either end of the molecule, the singly and doubly protonated ions have average activation energies of 1.2 and 0.8 eV, respectively, and average A values of 10(8) and 10(12) s(-1), respectively, i.e., the presence of a second charge reduces the activation energy by 0.4 eV and decreases the A value by a factor of 10(4). This demonstrates that the presence of a second charge can dramatically influence the dissociation dynamics of these ions. The doubly protonated methyl ester of bradykinin has an E(a) of 0.82 eV, comparable to the value of 0.84 eV for bradykinin itself. However, this value is 0.21 +/- 0.08 eV greater than that of singly protonated methyl ester of bradykinin, indicating that the Coulomb repulsion is not the most significant factor in the activation energy of this ion. Both singly and doubly protonated Lys-bradykinin ions have higher activation energies than the corresponding bradykinin ions indicating that the addition of a basic residue stabilizes these ions with respect to dissociation. Methylation of the carboxylic acid group of the C-terminus reduces the E(a) of bradykinin from 1.3 to 0.6 eV and the A factor from 1012 to 105 s(-1). This modification also dramatically changes the dissociation products. Similar results are observed for [Ala(6)]-bradykinin and its methyl ester. These results, in combination with others presented here, provide experimental evidence that the most stable form of singly protonated bradykinin is a salt-bridge structure.

Which indicators for measuring the daily physical activity? An overview on the challenges and technology limits for Telehealth applications.

PubMed

Tagliente, Irene; Solvoll, Terje; Trieste, Leopoldo; De Cecco, Carlo N; Murgia, Fabrizio; Bella, Sergio

2016-09-14

Obesity is one of the biggest drivers of preventable chronic diseases and healthcare costs in Worldwide. Different prevention activities are suggested. By monitoring daily energy expenditure (EE) could be possible make personalized diets and programming physical activity. In this, physical inactivity is one of the most important public health problems. Some studies refer the effort of the international community in promoting physical activities. Physical activity can be promoted only by increasing citizens' empowerment on taking care of their health, and it passes from the improving of individual information. Technology can offer solutions and metrics for monitoring and measuring daily activity by interacting with individuals, sharing information and feedbacks. In this study we review indicators of total energy expenditure and weaknesses of available devices in assessing these parameters. Literature review and technology testing EuNetHta core model. For the clinical aspects, it is fundamental to take into account all the factor that can influence the personal energy expenditure as: heart rate, blood pressure and thermoregulation (influenced by the body temperature). In this study we focused the attention on the importance of tools to encourage the physical activity. We made an analysis of the factor that can influence the right analysis of energy expenditure and at the same time the energy regime. A punctual monitoring of the exercise regime could be helpful in Telemedicine application as Telemonitorig. More study are needed to value the impact of physical activity tracker in Telemonitorig protocols. On the assessment of the energy expenditure, critical issues are related to the physiological data acquisition. Sensors connected with mobile devices could be important tools for disease prevention and interventions affecting health behaviors. New devices applications are potential useful for telemedicine assistance, but security of data and the related communication protocol limits should be taking into account.

Simultaneous vibration control and energy harvesting using actor-critic based reinforcement learning

NASA Astrophysics Data System (ADS)

Loong, Cheng Ning; Chang, C. C.; Dimitrakopoulos, Elias G.

2018-03-01

Mitigating excessive vibration of civil engineering structures using various types of devices has been a conspicuous research topic in the past few decades. Some devices, such as electromagnetic transducers, which have a capability of exerting control forces while simultaneously harvesting energy, have been proposed recently. These devices make possible a self-regenerative system that can semi-actively mitigate structural vibration without the need of external energy. Integrating mechanical, electrical components, and control algorithms, these devices open up a new research domain that needs to be addressed. In this study, the feasibility of using an actor-critic based reinforcement learning control algorithm for simultaneous vibration control and energy harvesting for a civil engineering structure is investigated. The actor-critic based reinforcement learning control algorithm is a real-time, model-free adaptive technique that can adjust the controller parameters based on observations and reward signals without knowing the system characteristics. It is suitable for the control of a partially known nonlinear system with uncertain parameters. The feasibility of implementing this algorithm on a building structure equipped with an electromagnetic damper will be investigated in this study. Issues related to the modelling of learning algorithm, initialization and convergence will be presented and discussed.

Optically (solar) pumped oxygen-iodine lasers

NASA Astrophysics Data System (ADS)

Danilov, O. B.; Zhevlakov, A. P.; Yur'ev, M. S.

2014-07-01

We present the results of theoretical and experimental studies demonstrating the possibility of developing an oxygen-iodine laser (OIL) with direct optical pumping of molecular oxygen involving inter-molecular interaction with charge transfer from donor molecule (buffer gas) to acceptor molecule (oxygen). This interaction lifts degeneracy of the lower energy states of molecular oxygen and increases its absorption cross section in the visible spectral region and the UV Herzberg band, where high quantum yield of singlet oxygen is achieved (QY ˜ 1 and QY ˜ 2, respectively) at the same time. A pulse-periodic optical pump sources with pulse energy of ˜50 kJ, pulse duration of ˜25 μs, and repetition rate of ˜10 Hz, which are synchronized with the mechanism of singlet oxygen generation, are developed. This allows implementation of a pulse-periodic oxygen-iodine laser with an efficiency of ˜25%, optical efficiency of ˜40%, and parameter L/ T ˜ 1/1.5, where T is the thermal energy released in the laser active medium upon generation of energy L. It is demonstrated that, under direct solar pumping of molecular oxygen, the efficiency parameter of the OIL can reach L/ T ˜ 1/0.8 in a wide range of scaling factors.

Optimal energy-utilization ratio for long-distance cruising of a model fish

NASA Astrophysics Data System (ADS)

Liu, Geng; Yu, Yong-Liang; Tong, Bing-Gang

2012-07-01

The efficiency of total energy utilization and its optimization for long-distance migration of fish have attracted much attention in the past. This paper presents theoretical and computational research, clarifying the above well-known classic questions. Here, we specify the energy-utilization ratio (fη) as a scale of cruising efficiency, which consists of the swimming speed over the sum of the standard metabolic rate and the energy consumption rate of muscle activities per unit mass. Theoretical formulation of the function fη is made and it is shown that based on a basic dimensional analysis, the main dimensionless parameters for our simplified model are the Reynolds number (Re) and the dimensionless quantity of the standard metabolic rate per unit mass (Rpm). The swimming speed and the hydrodynamic power output in various conditions can be computed by solving the coupled Navier-Stokes equations and the fish locomotion dynamic equations. Again, the energy consumption rate of muscle activities can be estimated by the quotient of dividing the hydrodynamic power by the muscle efficiency studied by previous researchers. The present results show the following: (1) When the value of fη attains a maximum, the dimensionless parameter Rpm keeps almost constant for the same fish species in different sizes. (2) In the above cases, the tail beat period is an exponential function of the fish body length when cruising is optimal, e.g., the optimal tail beat period of Sockeye salmon is approximately proportional to the body length to the power of 0.78. Again, the larger fish's ability of long-distance cruising is more excellent than that of smaller fish. (3) The optimal swimming speed we obtained is consistent with previous researchers’ estimations.

Syntheses, Characterization and Kinetics of Nickel-Tungsten Nitride Catalysts for Hydrotreating of Gas Oil

NASA Astrophysics Data System (ADS)

Botchwey, Christian

This thesis summarizes the methods and major findings of Ni-W(P)/gamma-Al 2O3 nitride catalyst synthesis, characterization, hydrotreating activity, kinetic analysis and correlation of the catalysts' activities to their synthesis parameters and properties. The range of parameters for catalyst synthesis were W (15-40 wt%), Ni (0-8 wt%), P (0-5 wt%) and nitriding temperature (TN) (500-900 °C). Characterization techniques used included: N2 sorption studies, chemisorption, elemental analysis, temperature programmed studies, x-ray diffraction, scanning electron microscopy, energy dispersive x-ray, infrared spectroscopy, transmission electron microscopy and x-ray absorption near edge structure. Hydrodesulfurization (HDS), hydrodenitrogenation (HDN) and hydrodearomatization (HDA) were performed at: temperature (340-380 °C), pressure (6.2-9.0 MPa), liquid hourly space velocity (1-3 h-1) and hydrogen to oil ratio (600 ml/ml, STP). The predominant species on the catalyst surface were Ni3N, W2N and bimetallic Ni2W3N. The bimetallic Ni-W nitride species was more active than the individual activities of the Ni3N and W2N. P increased weak acid sites while nitriding temperature decreased amount of strong acid sites. Low nitriding temperature enhanced dispersion of metal particles. P interacted with Al 2O3 which increased the dispersion of metal nitrides on the catalyst surface. HDN activity increased with Ni and P loading but decreased with increase in nitriding temperature (optimum conversion; 60 wt%). HDS and HDA activities went through a maximum with increase in the synthesis parameters (optimum conversions; 88. wt% for HDS and 47 wt% for HDA). Increase in W loading led to increase in catalyst activity. The catalysts were stable to deactivation and had the nitride structure conserved during hydrotreating in the presence of hydrogen sulfide. The results showed good correlation between hydrotreating activities (HDS and HDN) and the catalyst nitrogen content, number of exposed active sites, catalyst particle size and BET surface area. HDS and HDN kinetic analyses, using Langmuir-Hinshelwood models, gave activation energies of 66 and 32 kJ/mol, respectively. There were no diffusion limitations in the reaction process. Two active sites were involved in HDS reaction while one site was used for HDN. HDS and HDN activities of the Ni-W(P)/gamma-Al 2O3 nitride catalysts were comparable to the corresponding sulfides.

Effect of Se addition on optical and electrical properties of chalcogenide CdSSe thin films

NASA Astrophysics Data System (ADS)

Hassanien, A. S.; Akl, Alaa A.

2016-01-01

Compositional dependence of optical and electrical properties of chalcogenide CdSxSe1-x (0.4 ≥ x ≥ 0.0 at. %) thin films was studied. Cadmium sulphoselenide films were deposited by thermal evaporation technique at vacuum (8.2 × 10-4 Pa) onto preheated glass substrates (523 K). The evaporation rate and film thickness were kept constant at 2.50 nm/s and 375 ± 5 nm, respectively. X-ray diffractograms showed that, the deposited films have the low crystalline nature. Energy dispersive analysis by X-ray (EDAX) was used to check the compositional elements of deposited films. The absorption coefficient was determined from transmission and reflection measurements at room temperature in the wavelength range 300-2500 nm. Optical density, skin depth, optical energy gap and Urbach's parameters of CdSSe thin films have also been estimated. The direct optical energy gap decreased from 2.248 eV to 1.749 eV when the ratio of Se-content was increased from 0.60 to 1.00 . Conduction band and valance band positions were evaluated. The temperature dependence of dc-electrical resistivity in the temperature range (293-450 K) has been reported. Three conduction regions due to different conduction mechanisms were detected. Electrical sheet resistance, activation energy and pre-exponential parameters were discussed. The estimated values of optical and electrical parameters were strongly dependent upon the Se-content in CdSSe matrix.

Cadmium inhibits mouse sperm motility through inducing tyrosine phosphorylation in a specific subset of proteins.

PubMed

Wang, Lirui; Li, Yuhua; Fu, Jieli; Zhen, Linqing; Zhao, Na; Yang, Qiangzhen; Li, Sisi; Li, Xinhong

2016-08-01

Cadmium (Cd) has been reported to impair male fertility, primarily by disrupting sperm motility, but the underlying molecular mechanism remains unclear. Here we investigated the effects of Cd on sperm motility, tyrosine phosphorylation, AMP-activated protein kinase (AMPK) and glyceraldehyde-3-phosphate dehydrogenase (GAPDH) activity, and ATP levels in vitro. Our results demonstrated that Cd inhibited sperm motility, GAPDH activity, AMPK activity and ATP production, and induced tyrosine phosphorylation of 55-57KDa proteins. Importantly, all the parameters affected by Cd were restored to normal levels when incubated with 10μM Cd in the presence of 30μM ethylene diamine tetraacetic acid (EDTA). Interestingly, changes of tyrosine phosphorylation levels of 55-57KDa proteins are completely contrary to that of other parameters. These results suggest that Cd-induced tyrosine phosphorylation of 55-57KDa proteins might act as an engine to block intracellular energy metabolism and thus decrease sperm motility. Copyright © 2016 Elsevier Inc. All rights reserved.

Alterations of energy metabolism and glutathione levels of HL-60 cells induced by methacrylates present in composite resins.

PubMed

Nocca, G; De Palma, F; Minucci, A; De Sole, P; Martorana, G E; Callà, C; Morlacchi, C; Gozzo, M L; Gambarini, G; Chimenti, C; Giardina, B; Lupi, A

2007-03-01

Methacrylic compounds such as 2-hydroxyethyl methacrylate (HEMA), triethylene glycol dimethacrylate (TEGDMA) and bisphenol A glycerolate (1 glycerol/phenol) dimethacrylate (Bis-GMA) are largely present in auto- or photopolymerizable composite resins. Since the polymerization reaction is never complete, these molecules are released into the oral cavity tissues and biological fluids where they could cause local adverse effects. The aim of this work was to verify the hypothesis that the biological effects of HEMA, TEGDMA and Bis-GMA - at a non-cytotoxic concentration - depend on the interaction with mitochondria and exert consequent alterations of energy metabolism, GSH levels and the related pathways in human promyelocytic cell line (HL-60). The biological effects of methacrylic monomers were determined by analyzing the following parameters: GSH concentration, glucose-6-phosphate dehydrogenase (G6PDH) and glutathione reductase (GR) activity, oxygen and glucose consumption and lactate production along with cell differentiation and proliferation. All monomers induced both cellular differentiation and decrease in oxygen consumption. Cells treated with TEGDMA and Bis-GMA showed a significant enhancement of glucose consumption and lactate production. TEGDMA and HEMA induced GSH depletion stimulating G6PDH and GR activity. All the monomers under study affect the metabolism of HL-60 cells and show differentiating activity. Since alterations in cellular metabolism occurred at compound concentrations well below cytotoxic levels, the changes in energy metabolism and glutathione redox balance could be considered as potential mechanisms for inducing clinical and sub-clinical adverse effects and thus providing useful parameters when testing biocompatibility of dental materials.

Exoskeleton Training May Improve Level of Physical Activity After Spinal Cord Injury: A Case Series.

PubMed

Gorgey, Ashraf S; Wade, Rodney; Sumrell, Ryan; Villadelgado, Lynette; Khalil, Refka E; Lavis, Timothy

2017-01-01

Objectives: To determine whether the use of a powered exoskeleton can improve parameters of physical activity as determined by walking time, stand up time, and number of steps in persons with spinal cord injury (SCI). Methods: Three men with complete (1 C5 AIS A and 2 T4 AIS A) and one man with incomplete (C5 AIS D) SCI participated in a clinical rehabilitation program. In the training program, the participants walked once weekly using a powered exoskeleton (Ekso) for approximately 1 hour over the course of 10 to 15 weeks. Walking time, stand up time, ratio of walking to stand up time, and number of steps were determined. Oxygen uptake (L/min), energy expenditure, and body composition were measured in one participant after training. Results: Over the course of 10 to 15 weeks, the maximum walking time increased from 12 to 57 minutes and the number of steps increased from 59 to 2,284 steps. At the end of the training, the 4 participants were able to exercise for 26 to 59 minutes. For one participant, oxygen uptake increased from 0.27 L/min during rest to 0.55 L/min during walking. Maximum walking speed was 0.24 m/s, and delta energy expenditure increased by 1.4 kcal/min during walking. Body composition showed a modest decrease in absolute fat mass in one participant. Conclusion: Exoskeleton training may improve parameters of physical activity after SCI by increasing the number of steps and walking time. Other benefits may include increasing energy expenditure and improving the profile of body composition.

Diffusion and mobility of atomic particles in a liquid

NASA Astrophysics Data System (ADS)

Smirnov, B. M.; Son, E. E.; Tereshonok, D. V.

2017-11-01

The diffusion coefficient of a test atom or molecule in a liquid is determined for the mechanism where the displacement of the test molecule results from the vibrations and motion of liquid molecules surrounding the test molecule and of the test particle itself. This leads to a random change in the coordinate of the test molecule, which eventually results in the diffusion motion of the test particle in space. Two models parameters of interaction of a particle and a liquid are used to find the activation energy of the diffusion process under consideration: the gas-kinetic cross section for scattering of test molecules in the parent gas and the Wigner-Seitz radius for test molecules. In the context of this approach, we have calculated the diffusion coefficient of atoms and molecules in water, where based on experimental data, we have constructed the dependence of the activation energy for the diffusion of test molecules in water on the interaction parameter and the temperature dependence for diffusion coefficient of atoms or molecules in water within the models considered. The statistically averaged difference of the activation energies for the diffusion coefficients of different test molecules in water that we have calculated based on each of the presented models does not exceed 10% of the diffusion coefficient itself. We have considered the diffusion of clusters in water and present the dependence of the diffusion coefficient on the cluster size. The accuracy of the presented formulas for the diffusion coefficient of atomic particles in water is estimated to be 50%.

Design of multi-energy Helds coupling testing system of vertical axis wind power system

NASA Astrophysics Data System (ADS)

Chen, Q.; Yang, Z. X.; Li, G. S.; Song, L.; Ma, C.

2016-08-01

The conversion efficiency of wind energy is the focus of researches and concerns as one of the renewable energy. The present methods of enhancing the conversion efficiency are mostly improving the wind rotor structure, optimizing the generator parameters and energy storage controller and so on. Because the conversion process involves in energy conversion of multi-energy fields such as wind energy, mechanical energy and electrical energy, the coupling effect between them will influence the overall conversion efficiency. In this paper, using system integration analysis technology, a testing system based on multi-energy field coupling (MEFC) of vertical axis wind power system is proposed. When the maximum efficiency of wind rotor is satisfied, it can match to the generator function parameters according to the output performance of wind rotor. The voltage controller can transform the unstable electric power to the battery on the basis of optimizing the parameters such as charging times, charging voltage. Through the communication connection and regulation of the upper computer system (UCS), it can make the coupling parameters configure to an optimal state, and it improves the overall conversion efficiency. This method can test the whole wind turbine (WT) performance systematically and evaluate the design parameters effectively. It not only provides a testing method for system structure design and parameter optimization of wind rotor, generator and voltage controller, but also provides a new testing method for the whole performance optimization of vertical axis wind energy conversion system (WECS).

Efficiency assessment of shock wave therapy in patients with pelvic pain employing harmonic analysis of penile bioimpedance.

PubMed

Khodyreva, L A; Dudareva, A A; Mudraya, I S; Markosyan, T G; Revenko, S V; Kumachev, K V; Logvinov, L A

2013-06-01

In searching for novel objective methods to diagnosticate pelvic pain and assess efficiency of analgesic therapy, 37 male patients were examined prior to and after the course of extracorporeal shock wave therapy (5-10 sessions) with the waves directed to projections of prostate and/or crura and shaft of the penis. The repetition rate of mechanical pulses was 3-5 Hz. The range of energy pulse density was 0.09-0.45 mJ/mm(2). The overall number of pulses in a session was 1500-3000 in any treated zone with total energy smaller than 60 J. The applicator was relocated every other series of 300-500 pulses. Effect of the shock wave therapy was assessed according to subjective symptomatic scales: International Prostate Symptom Score, International Index of Erectile Function, Quality of Life, and nociceptive Visual Analog Scale. The objective assessment of shock wave therapy was performed with harmonic analysis of penile bioimpedance variability, which quantitatively evaluated the low-frequency rhythmic and asynchronous activities at rest as well as the total pulsatile activity of the penis. The magnitude of spectrum components of bioimpedance variations was assessed with a novel parameter, the effective impedance. The spectral parameters were measured in 16 patients prior to and after the treatment course. The corresponding control values were measured in the group of healthy patients. Prior to the shock wave therapy course, all spectrum parameters of penile bioimpedance significantly differed from the control (p<0.05). After this course, low-frequency rhythmic and the total pulsatile activity decreased to normal, while asynchronous activity remained significantly different from the normal. The novel objective physiological criteria of pelvic pain diagnostics and efficiency of its treatment reflecting the regional features of circulation and neural activity corresponded to the clinical symptom scaling prior to and after the shock wave course, and on the whole, these criteria corroborated improvement of the patient state after this therapy.

The WRAIR projectile concussive impact model of mild traumatic brain injury: re-design, testing and preclinical validation.

PubMed

Leung, Lai Yee; Larimore, Zachary; Holmes, Larry; Cartagena, Casandra; Mountney, Andrea; Deng-Bryant, Ying; Schmid, Kara; Shear, Deborah; Tortella, Frank

2014-08-01

The WRAIR projectile concussive impact (PCI) model was developed for preclinical study of concussion. It represents a truly non-invasive closed-head injury caused by a blunt impact. The original design, however, has several drawbacks that limit the manipulation of injury parameters. The present study describes engineering advancements made to the PCI injury model including helmet material testing, projectile impact energy/head kinematics and impact location. Material testing indicated that among the tested materials, 'fiber-glass/carbon' had the lowest elastic modulus and yield stress for providing an relative high percentage of load transfer from the projectile impact, resulting in significant hippocampal astrocyte activation. Impact energy testing of small projectiles, ranging in shape and size, showed the steel sphere produced the highest impact energy and the most consistent impact characteristics. Additional tests confirmed the steel sphere produced linear and rotational motions on the rat's head while remaining within a range that meets the criteria for mTBI. Finally, impact location testing results showed that PCI targeted at the temporoparietal surface of the rat head produced the most prominent gait abnormalities. Using the parameters defined above, pilot studies were conducted to provide initial validation of the PCI model demonstrating quantifiable and significant increases in righting reflex recovery time, axonal damage and astrocyte activation following single and multiple concussions.

Hypercoagulability after energy drink consumption.

PubMed

Pommerening, Matthew J; Cardenas, Jessica C; Radwan, Zayde A; Wade, Charles E; Holcomb, John B; Cotton, Bryan A

2015-12-01

Energy drink consumption in the United States has more than doubled over the last decade and has been implicated in cardiac arrhythmias, myocardial infarction, and even sudden cardiac death. We hypothesized that energy drink consumption may increase the risk of adverse cardiovascular events by increasing platelet aggregation, thereby resulting in a relatively hypercoagulable state and increased risk of thrombosis. Thirty-two healthy volunteers aged 18-40 y were given 16 oz of bottled water or a standardized, sugar-free energy drink on two separate occasions, 1-wk apart. Beverages were consumed after an overnight fast over a 30-min period. Coagulation parameters and platelet function were measured before and 60 min after consumption using thrombelastography and impedance aggregometry. No statistically significant differences in coagulation were detected using kaolin or rapid thrombelastography. In addition, no differences in platelet aggregation were detected using ristocetin, collagen, thrombin receptor-activating peptide, or adenosine diphosphate-induced multiple impedance aggregometry. However, compared to water controls, energy drink consumption resulted in a significant increase in platelet aggregation via arachidonic acid-induced activation (area under the aggregation curve, 72.4 U versus 66.3 U; P = 0.018). Energy drinks are associated with increased platelet activity via arachidonic acid-induced platelet aggregation within 1 h of consumption. Although larger clinical studies are needed to further address the safety and health concerns of these drinks, the increased platelet response may provide a mechanism by which energy drinks increase the risk of adverse cardiovascular events. Copyright © 2015 Elsevier Inc. All rights reserved.

Verification Techniques for Parameter Selection and Bayesian Model Calibration Presented for an HIV Model

NASA Astrophysics Data System (ADS)

Wentworth, Mami Tonoe

Uncertainty quantification plays an important role when making predictive estimates of model responses. In this context, uncertainty quantification is defined as quantifying and reducing uncertainties, and the objective is to quantify uncertainties in parameter, model and measurements, and propagate the uncertainties through the model, so that one can make a predictive estimate with quantified uncertainties. Two of the aspects of uncertainty quantification that must be performed prior to propagating uncertainties are model calibration and parameter selection. There are several efficient techniques for these processes; however, the accuracy of these methods are often not verified. This is the motivation for our work, and in this dissertation, we present and illustrate verification frameworks for model calibration and parameter selection in the context of biological and physical models. First, HIV models, developed and improved by [2, 3, 8], describe the viral infection dynamics of an HIV disease. These are also used to make predictive estimates of viral loads and T-cell counts and to construct an optimal control for drug therapy. Estimating input parameters is an essential step prior to uncertainty quantification. However, not all the parameters are identifiable, implying that they cannot be uniquely determined by the observations. These unidentifiable parameters can be partially removed by performing parameter selection, a process in which parameters that have minimal impacts on the model response are determined. We provide verification techniques for Bayesian model calibration and parameter selection for an HIV model. As an example of a physical model, we employ a heat model with experimental measurements presented in [10]. A steady-state heat model represents a prototypical behavior for heat conduction and diffusion process involved in a thermal-hydraulic model, which is a part of nuclear reactor models. We employ this simple heat model to illustrate verification techniques for model calibration. For Bayesian model calibration, we employ adaptive Metropolis algorithms to construct densities for input parameters in the heat model and the HIV model. To quantify the uncertainty in the parameters, we employ two MCMC algorithms: Delayed Rejection Adaptive Metropolis (DRAM) [33] and Differential Evolution Adaptive Metropolis (DREAM) [66, 68]. The densities obtained using these methods are compared to those obtained through the direct numerical evaluation of the Bayes' formula. We also combine uncertainties in input parameters and measurement errors to construct predictive estimates for a model response. A significant emphasis is on the development and illustration of techniques to verify the accuracy of sampling-based Metropolis algorithms. We verify the accuracy of DRAM and DREAM by comparing chains, densities and correlations obtained using DRAM, DREAM and the direct evaluation of Bayes formula. We also perform similar analysis for credible and prediction intervals for responses. Once the parameters are estimated, we employ energy statistics test [63, 64] to compare the densities obtained by different methods for the HIV model. The energy statistics are used to test the equality of distributions. We also consider parameter selection and verification techniques for models having one or more parameters that are noninfluential in the sense that they minimally impact model outputs. We illustrate these techniques for a dynamic HIV model but note that the parameter selection and verification framework is applicable to a wide range of biological and physical models. To accommodate the nonlinear input to output relations, which are typical for such models, we focus on global sensitivity analysis techniques, including those based on partial correlations, Sobol indices based on second-order model representations, and Morris indices, as well as a parameter selection technique based on standard errors. A significant objective is to provide verification strategies to assess the accuracy of those techniques, which we illustrate in the context of the HIV model. Finally, we examine active subspace methods as an alternative to parameter subset selection techniques. The objective of active subspace methods is to determine the subspace of inputs that most strongly affect the model response, and to reduce the dimension of the input space. The major difference between active subspace methods and parameter selection techniques is that parameter selection identifies influential parameters whereas subspace selection identifies a linear combination of parameters that impacts the model responses significantly. We employ active subspace methods discussed in [22] for the HIV model and present a verification that the active subspace successfully reduces the input dimensions.

Evaluation of drug-carrier interactions in quaternary powder mixtures containing perindopril tert-butylamine and indapamide.

PubMed

Voelkel, Adam; Milczewska, Kasylda; Teżyk, Michał; Milanowski, Bartłomiej; Lulek, Janina

2016-04-30

Interactions occurring between components in the quaternary powder mixtures consisting of perindopril tert-butylamine, indapamide (active pharmaceutical ingredients), carrier substance and hydrophobic colloidal silica were examined. Two grades of lactose monohydrate: Spherolac(®) 100 and Granulac(®) 200 and two types of microcrystalline cellulose: M101D+ and Vivapur(®) 102 were used as carriers. We determined the size distribution (laser diffraction method), morphology (scanning electron microscopy) and a specific surface area of the powder particles (by nitrogen adsorption-desorption). For the determination of the surface energy of powder mixtures the method of inverse gas chromatography was applied. Investigated mixtures were characterized by surface parameters (dispersive component of surface energy, specific interactions parameters, specific surface area), work of adhesion and cohesion as well as Flory-Huggins parameter χ23('). Results obtained for all quaternary powder mixtures indicate existence of interactions between components. The strongest interactions occur for both blends with different types of microcrystalline cellulose (PM-1 and PM-4) while much weaker ones for powder mixtures with various types of lactose (PM-2 and PM-3). Published by Elsevier B.V.

Influence of Van der Waals interaction on the thermodynamics properties of NaCl

NASA Astrophysics Data System (ADS)

Marcondes, M. L.; Wentzcovitch, R. M.; Assali, L. V. C.

2016-12-01

Equations of state (EoS) are extremely important in several scientific domains. However, many applications require EoS parameters at high pressures and temperatures. Experimental determination of these parameters is limited in such conditions and ab initio calculations have become important in computing them. Density Functional Theory (DFT) with its various approximations for exchange and correlation energy is the method of choice, but lack of a good description of the exchange-correlation energy results in large errors in EoS parameters. It is well known that the alkali halides have been problematic from the onset and the quest for DFT functionals appropriate for such ionic and relatively weakly bonded systems has remained an active topic of research. Here we use DFT + van der Waals functionals to calculate the thermal equation of state and thermodynamic properties of the B1 NaCl phase. Our results show a remarkable improvement over the performance of standard the LDA and GGA functionals. This is hardly surprising given that ions in this system have nearly closed shell configurations.

Measurement of excitation functions of evaporation residues in the 16O+124Sn reaction and investigation of the dependence of incomplete fusion dynamics on entrance channel parameters

NASA Astrophysics Data System (ADS)

Singh, D.; Linda, Sneha B.; Giri, Pankaj K.; Mahato, Amritraj; Tripathi, R.; Kumar, Harish; Tali, Suhail A.; Parashari, Siddharth; Ali, Asif; Dubey, Rakesh; Ansari, M. Afzal; Kumar, R.; Muralithar, S.; Singh, R. P.

2018-06-01

Excitation functions for the 11 evaporation residues populated through complete and/or incomplete fusion in 16O+124Sn system at low projectile energies ≈3 -7 MeV /nucleon have been measured. Recoil catcher activation technique followed by offline γ -ray spectrometry has been employed. Some of the evaporation residues are found to have contributions from precursor decays. The precursor contributions have been separated out from the measured cumulative cross-sections of evaporation residues. Independent cross-sections are compared with statistical model code PACE-4 predictions. The evaporation residues produced through x n and pxn channels are found to be well reproduced with the PACE-4 predictions after subtraction of precursor decay contributions. A substantial enhancement in the measured excitation functions over their theoretical predictions for the evaporation residues produced in α -emitting channels has been observed, which is attributed to the presence of incomplete fusion of projectile with target at these low energies. The present study shows that the incomplete fusion and the break-up probability of the incident 16O into α clusters (i.e., break-up of 16O into 12C+α and/or 8Be+8Be ) increases with projectile energy. The present data suggests that the deformation of target is highlighting the important role to affect the ICF reactions independently with different projectiles. The comparison of the present study with literature data also shows that the ICF probability depends on various entrance channel parameters, namely, projectile energy, entrance channel mass-asymmetry, α -Q value, Coulomb factor (ZPZT) , deformation parameter (β2), and their combinations. Moreover, the combined parameters ZPZT.β2 and μECAS.β2 are not found suitable to explain whole ICF characteristics, particularly for spherical and slightly deformed targets. On the other hand, the combined parameter ZPZT.μECAS has been found to explain more precisely the ICF dynamics as compared to other single and combined entrance channel parameters.

Energy Expenditure During Xbox Kinect Play in Early Adolescents: The Relationship with Player Mode and Game Enjoyment.

PubMed

Verhoeven, Katrien; Abeele, Vero Vanden; Gers, Brent; Seghers, Jan

2015-12-01

There has been growing interest in the use of active videogames to influence levels of physical activity. Most studies have investigated energy expenditure in general, without taking into account moderating factors such as player mode and game enjoyment. This study therefore examines whether children's energy expenditure and game enjoyment are higher when games are played in a two-player mode than in a single-player mode. Forty-three children from the 7th grade who exhibited an inactive lifestyle engaged in six sports exergames on an Xbox(®) Kinect(®) (Microsoft, Redmond, WA) console. The player mode (single-player or two-player mode) was manipulated (within-subjects design). The primary parameters were "energy expenditure," which was measured with a SenseWear(®) device (Bodymedia Inc., Pittsburgh, PA), and "game enjoyment," which was assessed through self-report. On average, Kinect play elicits moderate physical activity (approximately 4 metabolic equivalents of task). Games that are played in a two-player mode elicit more energy than games that are played in a single-player mode. However, this was only the case for simultaneous play (boxing, dancing, and tennis), not for turn-based play (bowling, baseball, and golf). Furthermore, participants generally liked exergaming, regardless of their sex or the player mode. Finally, no significant correlation was found between energy expenditure and game enjoyment. This study has shown that Kinect play elicits physical activity of moderate intensity. Furthermore, Kinect play is generally enjoyed by both boys and girls. Simultaneous play may be the best suited to increase levels of physical activity in early adolescents who exhibit an inactive lifestyle.

Comparison of NBG-18, NBG-17, IG-110 and IG-11 oxidation kinetics in air

NASA Astrophysics Data System (ADS)

Lee, Jo Jo; Ghosh, Tushar K.; Loyalka, Sudarshan K.

2018-03-01

The oxidation rates of several nuclear-grade graphites, NBG-18, NBG-17, IG-110 and IG-11, were measured in air using thermogravimetry. Kinetic parameters and oxidation behavior for each grade were compared by coke type, filler grain size and microstructure. The thickness of the oxidized layer for each grade was determined by layer peeling and direct density measurements. The results for NBG-17 and IG-11 were compared with those available in the literature and our recently reported results for NBG-18 and IG-110 oxidation in air. The finer-grained graphites IG-110 and IG-11 were more oxidized than medium-grained NBG-18 and NBG-17 because of deeper oxidant penetration, higher porosity and higher probability of available active sites. Variation in experimental conditions also had a marked effect on the reported kinetic parameters by several studies. Kinetic parameters such as activation energy and transition temperature were sensitive to air flow rates as well as sample size and geometry.

Catchment Water-Energy Balance Model: Development and Applications

NASA Astrophysics Data System (ADS)

Yang, D.; Yang, H.

2017-12-01

International Hydrological community has widely recognized that the catchment water-energy balance exists, which can be expressed as a general form of E/P = f(E0/P, c), where P is precipitation, E0 is potential evaporation, and c is a parameter. Many empirical/rational formulations of the catchment water-energy balance have been proposed. Several analytical solutions of the water-energy balance equation E/P = f(E0/P, c) have been derived by using dimensional analysis and mathematic reasoning and introducing additional boundary conditions. This paper will summarize the catchment water-energy balance equations and discuss their advantages and limitations. Catchment hydrology has been greatly influenced by the intensive variability in land use/cover, precipitation and air temperature due to climate change and local human activities. The water-energy balance equation, which are usually called the Budyko framework is widely used to analyze the impacts of climate and landscape changes on regional hydrology especially the annual runoff change. In order to quantify impacts of climate change and landscape change on the catchment runoff, the climate elasticity and landscape elasticity are estimated theoretically from the catchment water-energy balance equation. The elasticity of runoff has less of a dependency on the aridity index when the climate is drier (larger aridity index). The precipitation elasticity of runoff was close to 1.0 and that of potential evaporation close to 0.0 in the extreme humid climate with no relation to the landscape conditions, which implies that catchment water balance under extremely wet condition is controlled mainly by the climate condition. We establishes a relationship between the change in the landscape parameter in the catchment water-energy balance equation and vegetation change represented by fPAR, the fraction of Photosynthetically Active Radiation absorbed by vegetation. The fPAR elasticity of runoff is introduced and estimated over China, which indicate that runoff is more sensitive to the change in fPAR in relatively dry catchments. This paper will summarize applications of the water-energy balance equation and discuss on the future development.

A fuel cycle assessment guide for utility and state energy planners

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

Not Available

1994-07-01

This guide, one in a series of documents designed to help assess fuel cycles, is a framework for setting parameters, collecting data, and analyzing fuel cycles for supply-side and demand-side management. It provides an automated tool for entering comparative fuel cycle data that are meaningful to state and utility integrated resource planning, collaborative, and regional energy planning activities. It outlines an extensive range of energy technology characteristics and environmental, social, and economic considerations within each stage of a fuel cycle. The guide permits users to focus on specific stages or effects that are relevant to the technology being evaluated andmore » that meet the user`s planning requirements.« less

Electronic propensity rules in Li-H+ collisions involving initial and/or final oriented states

NASA Astrophysics Data System (ADS)

Salas, P. J.

2000-12-01

Electronic excitation and capture processes are studied in collisions involving systems with only one active electron such as the alkaline (Li)-proton in the medium-energy region (0.1-15 keV). Using the semiclassical impact parameter method, the probabilities and the orientation parameter are calculated for transitions between initial and/or final oriented states. The results show a strong asymmetry in the probabilities depending on the orientation of the initial and/or final states. An intuitive view of the processes, by means of the concepts of propensity and velocity matching rules, is provided.

Motion-mode energy method for vehicle dynamics analysis and control

NASA Astrophysics Data System (ADS)

Zhang, Nong; Wang, Lifu; Du, Haiping

2014-01-01

Vehicle motion and vibration control is a fundamental motivation for the development of advanced vehicle suspension systems. In a vehicle-fixed coordinate system, the relative motions of the vehicle between body and wheel can be classified into several dynamic stages based on energy intensity, and can be decomposed into sets of uncoupled motion-modes according to modal parameters. Vehicle motions are coupled, but motion-modes are orthogonal. By detecting and controlling the predominating vehicle motion-mode, the system cost and energy consumption of active suspensions could be reduced. A motion-mode energy method (MEM) is presented in this paper to quantify the energy contribution of each motion-mode to vehicle dynamics in real time. The control of motion-modes is prioritised according to the level of motion-mode energy. Simulation results on a 10 degree-of-freedom nonlinear full-car model with the magic-formula tyre model illustrate the effectiveness of the proposed MEM. The contribution of each motion-mode to the vehicle's dynamic behaviour is analysed under different excitation inputs from road irregularities, directional manoeuvres and braking. With the identified dominant motion-mode, novel cost-effective suspension systems, such as active reconfigurable hydraulically interconnected suspension, can possibly be used to control full-car motions with reduced energy consumption. Finally, discussion, conclusions and suggestions for future work are provided.

A novel theoretical probe of the SrTiO3 surface under water-splitting conditions

NASA Astrophysics Data System (ADS)

Letchworth-Weaver, Kendra; Gunceler, Deniz; Arias, Tomás; Plaza, Manuel; Huang, Xin; Brock, Joel; Rodriguez-López, Joaquin; Abruña, Hector

2014-03-01

Understanding the reaction mechanisms required to generate hydrogen fuel by photoelectrolysis of water is essential to energy conversion research. These reaction pathways are strongly influenced by the geometry and electronic structure of the electrode surface under water-splitting conditions. Electrochemical microscopy has demonstrated that biasing a SrTiO3 (001) surface can lead to an increase in water-splitting activity. In operando X-ray reflectivity measurements at the Cornell High Energy Synchrotron Source (CHESS) correlate this increase in activity to a significant reorganization in the surface structure but are unable to determine the exact nature of this change. Joint Density-Functional Theory (JDFT), a rigorous yet computationally efficient alternative to molecular dynamics, provides a quantum-mechanical description of an electrode surface in contact with an aqueous environment, and a microscopically detailed description of the interfacial liquid structure. Our JDFT calculations determine the structure of the activated SrTiO3 surface and explore why it is correlated with higher activity for water splitting. With no empirical parameters whatsoever, we predict the X-ray crystal truncation rods for SrTiO3, finding excellent agreement with experiment. Funded by the Energy Materials Center at Cornell (EMC2).

Flutter suppression and gust alleviation using active controls

NASA Technical Reports Server (NTRS)

Nissim, E.

1975-01-01

Application of the aerodynamic energy approach to some problems of flutter suppression and gust alleviation were considered. A simple modification of the control-law is suggested for achieving the required pitch control in the use of a leading edge - trailing edge activated strip. The possible replacement of the leading edge - trailing edge activated strip by a trailing edge - tab strip is also considered as an alternate solution. Parameters affecting the performance of the activated leading edge - trailing edge strip were tested on the Arava STOL Transport and the Westwind Executive Jet Transport and include strip location, control-law gains and a variation in the control-law itself.

Prediction of kinase-inhibitor binding affinity using energetic parameters

PubMed Central

Usha, Singaravelu; Selvaraj, Samuel

2016-01-01

The combination of physicochemical properties and energetic parameters derived from protein-ligand complexes play a vital role in determining the biological activity of a molecule. In the present work, protein-ligand interaction energy along with logP values was used to predict the experimental log (IC50) values of 25 different kinase-inhibitors using multiple regressions which gave a correlation coefficient of 0.93. The regression equation obtained was tested on 93 kinase-inhibitor complexes and an average deviation of 0.92 from the experimental log IC50 values was shown. The same set of descriptors was used to predict binding affinities for a test set of five individual kinase families, with correlation values > 0.9. We show that the protein-ligand interaction energies and partition coefficient values form the major deterministic factors for binding affinity of the ligand for its receptor. PMID:28149052

Experimental and density functional theory studies on benzalkonium ibuprofenate, a double active pharmaceutical ingredient.

PubMed

Safna Hussan, K P; Thayyil, M Shahin; Rajan, Vijisha K; Muraleedharan, K

2018-02-01

Molecular aspects of a double active pharmaceutical ingredient in ionic liquid form, benzalkonium ibuprofenate (BaIb), were studied using density functional theory (DFT/B3LYP/6-31+G (d, p)). A detailed discussion on optimized geometry, energy, heat and the enthalpy of BaIb was carried out. The computed vibrational results agree well with the experimental results. The stability and biological activity were compared to the parent drugs on the basis of global descriptive parameters. The electrophilic and nucleophilic sites were pointed out in the MESP structures well evidently. NBO analysis was also done to predict the relative aromaticity, delocalization effects and the contribution towards stabilization energy of the title compound. The information about non-covalent, non-ionic weak interaction between the cation and anion was obtained from the list of Mulliken charges and NBO analysis. Copyright © 2017 Elsevier Ltd. All rights reserved.

Influence of carbon conductive additives on electrochemical double-layer supercapacitor parameters

NASA Astrophysics Data System (ADS)

Kiseleva, E. A.; Zhurilova, M. A.; Kochanova, S. A.; Shkolnikov, E. J.; Tarasenko, A. B.; Zaitseva, O. V.; Uryupina, O. V.; Valyano, G. V.

2018-01-01

Electrochemical double-layer capacitors (EDLC) offer energy storage technology, highly demanded for rapid transition processes in transport and stationary applications, concerned with fast power fluctuations. Rough structure of activated carbon, widely used as electrode material because of its high specific area, leads to poor electrode conductivity. Therefore there is the need for conductive additive to decrease internal resistance and to achieve high specific power and high specific energy. Usually carbon blacks are widely used as conductive additive. In this paper electrodes with different conductive additives—two types of carbon blacks and single-walled carbon nanotubes—were prepared and characterized in organic electrolyte-based EDLC cells. Electrodes are based on original wood derived activated carbon produced by potassium hydroxide high-temperature activation at Joint Institute for High Temperatures RAS. Electrodes were prepared from slurry by cold-rolling. For electrode characterization cyclic voltammetry, impedance spectra analysis, equivalent series resistance measurements and galvanostatic charge-discharge were used.

Improving the enzymolysis efficiency of potato protein by simultaneous dual-frequency energy-gathered ultrasound pretreatment: Thermodynamics and kinetics.

PubMed

Cheng, Yu; Liu, Yun; Wu, Juan; Ofori Donkor, Prince; Li, Ting; Ma, Haile

2017-07-01

The thermodynamics and kinetics of traditional and simultaneous dual frequency energy-gathered ultrasound (SDFU) assisted enzymolysis of potato protein were investigated to get the knowledge of the mechanisms on the SDFU's promoting efficiency during enzymolysis. The concentration of potato protein hydrolysate and parameters of thermodynamic and kinetic during traditional and SDFU assisted enzymolysis were determined. The results showed that potato protein hydrolysate concentration of SDFU assisted enzymolysis was higher than traditional enzymolysis at the hydrolysis time of 60min (p<0.05) whereas not significantly different at 120min (p>0.05). In some cases, SDFU assisted enzymolysis took less hydrolysis time than traditional enzymolysis when the similar conversion rates of potato protein were obtained. The thermodynamic papameters including the energy of activation (E a ), enthalpy of activation (△H), entropy of activation (△S) were reduced by ultrasound pretreatment while Gibbs free energy of activation (△G) increased little (1.6%). Also, kinetic papameters including Michaelis constant (K M ) and catalytic rate constant (k cat ) decreased by ultrasound pretreatment. On the contrary, reaction rate constants (k) of SDFU assisted enzymolysis were higher than that of traditional enzymolysis (p<0.05). It was indicated that the efficiency of SDFU assisted enzymolysis was higher than traditional enzymolysis in a limited time. The higher efficiency of SDFU assisted enzymolysis was related with the decrease of E a and K M by lowering the energy barrier between ground and active state and increasing affinity between substrate and enzyme. Copyright © 2017 Elsevier B.V. All rights reserved.

Comparison between two models of energy balance in coronal loops

NASA Astrophysics Data System (ADS)

Mac Cormack, C.; López Fuentes, M.; Vásquez, A. M.; Nuevo, F. A.; Frazin, R. A.; Landi, E.

2017-10-01

In this work we compare two models to analyze the energy balance along coronal magnetic loops. For the first stationary model we deduce an expression of the energy balance along the loops expressed in terms of quantities provided by the combination of differential emission measure tomography (DEMT) applied to EUV images time series and potential extrapolations of the coronal magnetic field. The second applied model is a 0D hydrodynamic model that provides the evolution of the average properties of the coronal plasma along the loops, using as input parameters the loop length and the heating rate obtained with the first model. We compare the models for two Carrington rotations (CR) corresponding to different periods of activity: CR 2081, corresponding to a period of minimum activity observed with the Extreme Ultraviolet Imager (EUVI) on board of the Solar Terrestrial Relations Observatory (STEREO), and CR 2099, corresponding to a period of activity increase observed with the Atmospheric Imaging Assembly (AIA) on board the Solar Dynamics Observatory (SDO). The results of the models are consistent for both rotations.

Thermal stability and degradation kinetics of kenaf/sol-gel silica hybrid

NASA Astrophysics Data System (ADS)

Yusof, F. A. M.; Hashim, A. S.; Tajudin, Z.

2017-12-01

Thermal stability and degradation kinetics of kenaf/sol-gel silica hybrid materials was investigated by thermogravimetric analysis (TGA). Model-free iso-conversion Flynn-Wall-Ozawa (FWO) and Coats-Redfern-modified (CRm) were chosen to evaluate the activation energy of the kenaf (KF) and kenaf/sol-gel silica (KFS) at heating rates (β) of 10, 20, 30 and 40 °C/min. The results shows that an apparent activation energy was increased for the kenaf/sol-gel silica hybrid (211.59 kJ/mol for FWO and 191.55 kJ/mol for CRm) as compared to kenaf fiber (202.84 kJ/mol for FWO and 186.20 kJ/mol for CRm). Other parameters such as integral procedure decomposition temperature (IPDT), final residual weight (Rf), temperature of maximum degradation rate (Tmax) and residual at maximum temperature (RTmax) were obtained from TGA curves, additionally confirmed the thermal stability of the kenaf/sol-gel silica hybrid. These activation energy values and other findings developed the simplified approach in order to understand the thermal stability and degradation kinetics behavior of kenaf/sol-gel silica hybrid materials.

Active experiments in the ionosphere and variations of geophysical and meteorological parameters

NASA Astrophysics Data System (ADS)

Sivokon, Vladimir; Cherneva, Nina; Shevtsov, Boris

Energy distribution in ionospheric-magnetospheric relations, as one of the possible external climatological factors, may be traced on the basis of the analysis of natural geophysical phenomena such as ionosphere artificial radio radiation and magnetic storms. Development of magnetic disturbances is, to some extent, associated with current variations in electrojet. In its turn, some technologies are known which may affect electrojet and its characteristics. The method, developed by the authors, is based on a complex comparison of different geophysical fields and allows us to determine the degree of active experiment effect on energy change in ionospheric-magnetospheric relations and to evaluate on this basis the degree of active experiment effect on climate in the ionosphere. Within the framework of RAS Presidium Program Project “Determination of climate-forming characteristic changes on the basis of monitoring of geophysical field variations”, investigations have been carried out, which showed the possibility of ionosphere modification effect on the energy of magnetospheric-ionospheric relations. Evaluation of possible climate changes considering ionospheric-magnetospheric relations has not been previously discussed.

Research for preparation of cation-conducting solids by high-pressure synthesis and other methods

NASA Technical Reports Server (NTRS)

Goodenough, J. B.; Hong, H. Y. P.; Kafalas, J. A.; Dwight, K., Jr.

1975-01-01

It was shown that two body-centered-cubic skeleton structures, the Im3 KSbO3 phase and the defect-pyrochlore phase A(+)B2X6, do exhibit fast Na(+)-ion transport. The placement of anions at the tunnel intersection sites does not impede Na(+)-ion transport in (NaSb)3)(1/6 NaF), and may not in (Na(1+2x)Ta2 5F)(Ox). The activation energies are higher than those found in beta-alumina. There are two possible explanations for the higher activation energy: breathing of the bottleneck (site face or edge) through which the A(+) ions must pass on jumping from one site to another may be easier in a layer structure and/or A(+)-O bonding may be stronger in the cubic structures because the O(2-) ion bonds with two (instead of three) cations of the skeleton. If the former explanation is dominant, a lower activation energy may be achieved by optimizing the lattice parameter. If the latter is dominant, a new structural principle may have to be explored.

The influence of regional geological settings on the seismic hazard level in copper mines in the Legnica-Głogów Copper Belt Area (Poland)

NASA Astrophysics Data System (ADS)

Burtan, Zbigniew

2017-11-01

The current level of rockburst hazard in copper mines of the (LGOM) Legnica- Głogów Copper Belt Area is mostly the consequence of mining-induced seismicity, whilst the majority of rockbursting events registered to date were caused by high-energy tremors. The analysis of seismic readings in recent years reveals that the highest seismic activity among the copper mines in the LGOM is registered in the mine Rudna. This study investigates the seismic activity in the rock strata in the Rudna mine fields over the years 2006-2015. Of particular interest are the key seismicity parameters: the number of registered seismic events, the total energy emissions, the energy index. It appears that varied seismic activity in the area may be the function of several variables: effective mining thickness, the thickness of burst-prone strata and tectonic intensity. The results support and corroborate the view that principal factors influencing the actual seismic hazard level are regional geological conditions in the copper mines within the Legnica-Głogów Copper Belt Area.

Application of the CIEMAT-NIST method to plastic scintillation microspheres.

PubMed

Tarancón, A; Barrera, J; Santiago, L M; Bagán, H; García, J F

2015-04-01

An adaptation of the MICELLE2 code was used to apply the CIEMAT-NIST tracing method to the activity calculation for radioactive solutions of pure beta emitters of different energies using plastic scintillation microspheres (PSm) and (3)H as a tracing radionuclide. Particle quenching, very important in measurements with PSm, was computed with PENELOPE using geometries formed by a heterogeneous mixture of polystyrene microspheres and water. The results obtained with PENELOPE were adapted to be included in MICELLE2, which is capable of including the energy losses due to particle quenching in the computation of the detection efficiency. The activity calculation of (63)Ni, (14)C, (36)Cl and (90)Sr/(90)Y solutions was performed with deviations of 8.8%, 1.9%, 1.4% and 2.1%, respectively. Of the different parameters evaluated, those with the greatest impact on the activity calculation are, in order of importance, the energy of the radionuclide, the degree of quenching of the sample and the packing fraction of the geometry used in the computation. Copyright © 2015 Elsevier Ltd. All rights reserved.

Molecular structure activity on pharmaceutical applications of Phenacetin using spectroscopic investigation

NASA Astrophysics Data System (ADS)

Madanagopal, A.; Periandy, S.; Gayathri, P.; Ramalingam, S.; Xavier, S.

2017-01-01

The pharmaceutical compound; Phenacetin was investigated by analyzing FT-IR, FT-Raman and 1H &13C NMR spectra. The hybrid efficient computational calculations performed for computing physical and chemical parameters. The cause of pharmaceutical activity due to the substitutions; carboxylic, methyl and amine groups in appropriate positions on the pedestal compound was deeply investigated. Moreover, 13C NMR and 1H NMR chemical shifts correlated with TMS standard to explain the truth of compositional ratio of base and ligand groups. The bathochromic shift due to chromophores over the energy levels in UV-Visible region was strongly emphasized the Anti-inflammatory chemical properties. The chemical stability was pronounced by the strong kubo gap which showed the occurring of charge transformation within the molecule. The occurrence of the chemical reaction was feasibly interpreted by Gibbs free energy profile. The standard vibrational analysis stressed the active participation of composed ligand groups for the existence of the analgesic as well as antipyretic properties of the Phenacetin compound. The strong dipole interaction energy utilization for the transition among non-vanishing donor and acceptor for composition of the molecular structure was interpreted.

Waveguide and active region structure optimization for low-divergence InAs/InGaAs quantum dot comb lasers

NASA Astrophysics Data System (ADS)

Korenev, Vladimir V.; Savelyev, Artem V.; Zhukov, Alexey E.; Maximov, Mikhail V.; Omelchenko, Alexander V.

2015-05-01

Ways to improve beam divergence and energy consumption of quantum dot lasers emitting via the ground-state optical transitions by optimization of the key parameters of laser active region are discussed. It is shown that there exist an optimal cavity length, dispersion of inhomogeneous broadening and number of QD layers in active region allowing to obtain lasing spectrum of a given width at minimum injection current. The planar dielectric waveguide of the laser is optimized by analytical means for a better trade-off between high Γ-factor and low beam divergence.

Molecular system identification for enzyme directed evolution and design

NASA Astrophysics Data System (ADS)

Guan, Xiangying; Chakrabarti, Raj

2017-09-01

The rational design of chemical catalysts requires methods for the measurement of free energy differences in the catalytic mechanism for any given catalyst Hamiltonian. The scope of experimental learning algorithms that can be applied to catalyst design would also be expanded by the availability of such methods. Methods for catalyst characterization typically either estimate apparent kinetic parameters that do not necessarily correspond to free energy differences in the catalytic mechanism or measure individual free energy differences that are not sufficient for establishing the relationship between the potential energy surface and catalytic activity. Moreover, in order to enhance the duty cycle of catalyst design, statistically efficient methods for the estimation of the complete set of free energy differences relevant to the catalytic activity based on high-throughput measurements are preferred. In this paper, we present a theoretical and algorithmic system identification framework for the optimal estimation of free energy differences in solution phase catalysts, with a focus on one- and two-substrate enzymes. This framework, which can be automated using programmable logic, prescribes a choice of feasible experimental measurements and manipulated input variables that identify the complete set of free energy differences relevant to the catalytic activity and minimize the uncertainty in these free energy estimates for each successive Hamiltonian design. The framework also employs decision-theoretic logic to determine when model reduction can be applied to improve the duty cycle of high-throughput catalyst design. Automation of the algorithm using fluidic control systems is proposed, and applications of the framework to the problem of enzyme design are discussed.

Rapid acceleration leads to rapid weakening in earthquake-like laboratory experiments

USGS Publications Warehouse

Chang, Jefferson C.; Lockner, David A.; Reches, Z.

2012-01-01

After nucleation, a large earthquake propagates as an expanding rupture front along a fault. This front activates countless fault patches that slip by consuming energy stored in Earth’s crust. We simulated the slip of a fault patch by rapidly loading an experimental fault with energy stored in a spinning flywheel. The spontaneous evolution of strength, acceleration, and velocity indicates that our experiments are proxies of fault-patch behavior during earthquakes of moment magnitude (Mw) = 4 to 8. We show that seismically determined earthquake parameters (e.g., displacement, velocity, magnitude, or fracture energy) can be used to estimate the intensity of the energy release during an earthquake. Our experiments further indicate that high acceleration imposed by the earthquake’s rupture front quickens dynamic weakening by intense wear of the fault zone.

Atomic Radius and Charge Parameter Uncertainty in Biomolecular Solvation Energy Calculations

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

Yang, Xiu; Lei, Huan; Gao, Peiyuan

Atomic radii and charges are two major parameters used in implicit solvent electrostatics and energy calculations. The optimization problem for charges and radii is under-determined, leading to uncertainty in the values of these parameters and in the results of solvation energy calculations using these parameters. This paper presents a method for quantifying this uncertainty in solvation energies using surrogate models based on generalized polynomial chaos (gPC) expansions. There are relatively few atom types used to specify radii parameters in implicit solvation calculations; therefore, surrogate models for these low-dimensional spaces could be constructed using least-squares fitting. However, there are many moremore » types of atomic charges; therefore, construction of surrogate models for the charge parameter space required compressed sensing combined with an iterative rotation method to enhance problem sparsity. We present results for the uncertainty in small molecule solvation energies based on these approaches. Additionally, we explore the correlation between uncertainties due to radii and charges which motivates the need for future work in uncertainty quantification methods for high-dimensional parameter spaces.« less

Accuracy Test of the OPLS-AA Force Field for Calculating Free Energies of Mixing and Comparison with PAC-MAC

PubMed Central

2017-01-01

We have calculated the excess free energy of mixing of 1053 binary mixtures with the OPLS-AA force field using two different methods: thermodynamic integration (TI) of molecular dynamics simulations and the Pair Configuration to Molecular Activity Coefficient (PAC-MAC) method. PAC-MAC is a force field based quasi-chemical method for predicting miscibility properties of various binary mixtures. The TI calculations yield a root mean squared error (RMSE) compared to experimental data of 0.132 kBT (0.37 kJ/mol). PAC-MAC shows a RMSE of 0.151 kBT with a calculation speed being potentially 1.0 × 104 times greater than TI. OPLS-AA force field parameters are optimized using PAC-MAC based on vapor–liquid equilibrium data, instead of enthalpies of vaporization or densities. The RMSE of PAC-MAC is reduced to 0.099 kBT by optimizing 50 force field parameters. The resulting OPLS-PM force field has a comparable accuracy as the OPLS-AA force field in the calculation of mixing free energies using TI. PMID:28418655

Computational screening of organic materials towards improved photovoltaic properties

NASA Astrophysics Data System (ADS)

Dai, Shuo; Olivares-Amaya, Roberto; Amador-Bedolla, Carlos; Aspuru-Guzik, Alan; Borunda, Mario

2015-03-01

The world today faces an energy crisis that is an obstruction to the development of the human civilization. One of the most promising solutions is solar energy harvested by economical solar cells. Being the third generation of solar cell materials, organic photovoltaic (OPV) materials is now under active development from both theoretical and experimental points of view. In this study, we constructed a parameter to select the desired molecules based on their optical spectra performance. We applied it to investigate a large collection of potential OPV materials, which were from the CEPDB database set up by the Harvard Clean Energy Project. Time dependent density functional theory (TD-DFT) modeling was used to calculate the absorption spectra of the molecules. Then based on the parameter, we screened out the top performing molecules for their potential OPV usage and suggested experimental efforts toward their synthesis. In addition, from those molecules, we summarized the functional groups that provided molecules certain spectrum capability. It is hoped that useful information could be mined out to provide hints to molecular design of OPV materials.

Evaluation of tributyltin toxicity in Chinese rare minnow larvae by abnormal behavior, energy metabolism and endoplasmic reticulum stress.

PubMed

Li, Zhi-Hua; Li, Ping

2015-02-05

Tributyltin (TBT) is a ubiquitous contaminant in aquatic environment, but the detailed mechanisms underlying the toxicity of TBT have not been fully understood. In this study, the effects of TBT on behavior, energy metabolism and endoplasmic reticulum (ER) stress were investigated by using Chinese rare minnow larvae. Fish larvae were exposed at sublethal concentrations of TBT (100, 400 and 800 ng/L) for 7 days. Compared with the control, energy metabolic parameters (RNA/DNA ratio, Na(+)-K(+)-ATPase) were significantly inhibited in fish exposed at highest concentration (800 ng/L), as well as abnormal behaviors observed. Moreover, we found that the PERK (PKR-like ER kinase)-eIF2α (eukaryotic translation initiation factor 2α) pathway, as the main branch was activated by TBT exposure in fish larvae. In short, TBT-induced physiological, biochemical and molecular responses in fish larvae were reflected in parameters measured in this study, which suggest that these biomarkers could be used as potential indicators for monitoring organotin compounds present in aquatic environment. Copyright © 2014 Elsevier Ireland Ltd. All rights reserved.

Synthesis and characterization of TiO2 loaded cashew nut shell activated carbon and photocatalytic activity on BG and MB dyes under sunlight radiation

NASA Astrophysics Data System (ADS)

Ragupathy, S.; Raghu, K.; Prabu, P.

2015-03-01

Synthesis of titanium dioxide (TiO2) nanoparticles and TiO2 loaded cashew nut shell activated carbon (TiO2/CNSAC) had been undertaken using sol-gel method and their application in BG and MB dyes removal under sunlight radiation has been investigated. The synthesized photocatalysts were characterized by X-ray diffraction analysis (XRD), Fourier infra-red spectroscopy (FT-IR), UV-Vis-diffuse reflectance spectroscopy (DRS) and scanning electron microscopy (SEM) with energy dispersive X-ray analysis (EDX). The various experimental parameters like amount of catalyst, contact time for efficient dyes degradation of BG and MB were concerned in this study. Activity measurements performed under solar irradiation has shown good results for the photodegradation of BG and MB in aqueous solution. It was concluded that the higher photocatalytic activity in TiO2/CNSAC was due to parameters like band-gap, number of hydroxyl groups, surface area and porosity of the catalyst. The kinetic data were also described by the pseudo-first-order and pseudo-second-order kinetic models.

Spatial distribution of intrinsic and scattering seismic attenuation in active volcanic islands - I: model and the case of Tenerife Island

NASA Astrophysics Data System (ADS)

Prudencio, Janire; Del Pezzo, Edoardo; García-Yeguas, Araceli; Ibáñez, Jesús M.

2013-12-01

The complex volcanic system of Tenerife Island is known to have a highly heterogeneous character, as recently confirmed by velocity tomography. We present new information derived from intrinsic quality factor inverse maps (Qi-1), scattering quality factor inverse maps (Qs-1) and total quality factor inverse maps (Qt-1) obtained for the same region. The data set used in this work is the result of the analysis of an active seismic experiment carried out, using offshore shots (air guns) recorded at over 85 onshore seismic stations. The estimates of the attenuation parameters are based on the assumption that the seismogram energy envelopes are determined by seismic energy diffusion processes occurring inside the island. Diffusion model parameters, proportional to Qi-1 and to Qs-1, are estimated from the inversion of the energy envelopes for any source-receiver couple. They are then weighted with a new graphical approach based on a Gaussian space probability function, which allowed us to create `2-D probabilistic maps' representing the space distribution of the attenuation parameters. The 2-D images obtained reveal the existence of a zone in the centre of the island characterized by the lowest attenuation effects. This effect is interpreted as highly rigid and cooled rocks. This low-attenuation region is bordered by zones of high attenuation, associated with the recent historical volcanic activity. We calculate the transport mean free path obtaining a value of around 4 km for the frequency range 6-12 Hz. This result is two orders of magnitude smaller than values calculated for the crust of the Earth. An absorption length between 10 and 14 km is associated with the average intrinsic attenuation parameter. These values, while small in the context of tectonic regions, are greater than those obtained in volcanic regions such as Vesuvius or Merapi. Such differences may be explained by the magnitude of the region of study, over three times larger than the aforementioned study areas. This also implies deeper sampling of the crust, which is evidenced by a change in the values of seismic attenuation. One important observation is that scattering attenuation dominates over the intrinsic effects, Qi being at least twice the value of Qs.

Shifts among Eukaryota, Bacteria, and Archaea define the vertical organization of a lake sediment.

PubMed

Wurzbacher, Christian; Fuchs, Andrea; Attermeyer, Katrin; Frindte, Katharina; Grossart, Hans-Peter; Hupfer, Michael; Casper, Peter; Monaghan, Michael T

2017-04-08

Lake sediments harbor diverse microbial communities that cycle carbon and nutrients while being constantly colonized and potentially buried by organic matter sinking from the water column. The interaction of activity and burial remained largely unexplored in aquatic sediments. We aimed to relate taxonomic composition to sediment biogeochemical parameters, test whether community turnover with depth resulted from taxonomic replacement or from richness effects, and to provide a basic model for the vertical community structure in sediments. We analyzed four replicate sediment cores taken from 30-m depth in oligo-mesotrophic Lake Stechlin in northern Germany. Each 30-cm core spanned ca. 170 years of sediment accumulation according to 137 Cs dating and was sectioned into layers 1-4 cm thick. We examined a full suite of biogeochemical parameters and used DNA metabarcoding to examine community composition of microbial Archaea, Bacteria, and Eukaryota. Community β-diversity indicated nearly complete turnover within the uppermost 30 cm. We observed a pronounced shift from Eukaryota- and Bacteria-dominated upper layers (<5 cm) to Bacteria-dominated intermediate layers (5-14 cm) and to deep layers (>14 cm) dominated by enigmatic Archaea that typically occur in deep-sea sediments. Taxonomic replacement was the prevalent mechanism in structuring the community composition and was linked to parameters indicative of microbial activity (e.g., CO 2 and CH 4 concentration, bacterial protein production). Richness loss played a lesser role but was linked to conservative parameters (e.g., C, N, P) indicative of past conditions. By including all three domains, we were able to directly link the exponential decay of eukaryotes with the active sediment microbial community. The dominance of Archaea in deeper layers confirms earlier findings from marine systems and establishes freshwater sediments as a potential low-energy environment, similar to deep sea sediments. We propose a general model of sediment structure and function based on microbial characteristics and burial processes. An upper "replacement horizon" is dominated by rapid taxonomic turnover with depth, high microbial activity, and biotic interactions. A lower "depauperate horizon" is characterized by low taxonomic richness, more stable "low-energy" conditions, and a dominance of enigmatic Archaea.

Variability in HOMA-IR, lipoprotein profile and selected hormones in young active men.

PubMed

Keska, Anna; Lutoslawska, Grazyna; Czajkowska, Anna; Tkaczyk, Joanna; Mazurek, Krzysztof

2013-01-01

Resistance to insulin actions is contributing to many metabolic disturbances. Such factors as age, sex, nutrition, body fat, and physical activity determine body insulin resistance. Present study attempted to asses insulin resistance and its metabolic effects with respect to energy intake in young, lean, and active men. A total of 87 men aged 18-23 participated in the study. Plasma levels of glucose, insulin, lipoproteins, cortisol, and TSH were determined. Insulin resistance was expressed as Homeostasis Model Assessment for Insulin Resistance (HOMA-IR) and calculated using homeostatic model. The median value of HOMA-IR (1.344) was used to divide subjects into two groups. Men did not differ in anthropometric parameters, daily physical activity, and plasma TSH and cortisol levels. However, in men with higher HOMA-IR significantly lower daily energy intake was observed concomitantly with higher TG, TC, and HDL-C concentrations in plasma versus their counterparts with lower HOMA-IR. Exclusively in subjects with higher HOMA-IR significant and positive correlation was noted between HOMA-IR and TC and LDL-C. We concluded that despite a normal body weight and physical activity, a subset of young men displayed unfavorable changes in insulin sensitivity and lipid profile, probably due to insufficient energy intake.

Spectroscopic, and thermal studies of some new binuclear transition metal(II) complexes with hydrazone ligands containing acetoacetanilide and isoxazole.

PubMed

Chen, Zhimin; Wu, Yiqun; Gu, Donghong; Gan, Fuxi

2007-11-01

A new chelating ligand, 2-(2-(5-tert-butylisoxazol-3-yl)hydrazono)-N-(2,4-dimethylphenyl)-3-oxobutanamide (HL), and its four binuclear transition metal complexes, M(2)(L)(2) (micro-OCH(3))(2) [M=Ni(II), Co(II), Cu(II), Zn(II)], were synthesized using the procedure of diazotization, coupling and metallization. Their structures were postulated based on elemental analysis, (1)H NMR, MALDI-MS, FT-IR spectra and UV-vis electronic absorption spectra. Smooth films of these complexes on K9 glass substrates were prepared using the spin-coating method and their absorption properties were evaluated. The thermal properties of the metal(II) complexes were investigated by thermogravimetry (TG) and differential scanning calorimetry (DSC). Different thermodynamic and kinetic parameters namely activation energy (E*), enthalpy of activation (DeltaH*), entropy of activation (DeltaS*) and free energy change of activation (DeltaG*) are calculated using Coats-Redfern (CR) equation.

"In silico" mechanistic studies as predictive tools in microwave-assisted organic synthesis.

PubMed

Rodriguez, A M; Prieto, P; de la Hoz, A; Díaz-Ortiz, A

2011-04-07

Computational calculations can be used as a predictive tool in Microwave-Assisted Organic Synthesis (MAOS). A DFT study on Intramolecular Diels-Alder reactions (IMDA) indicated that the activation energy of the reaction and the polarity of the stationary points are two fundamental parameters to determine "a priori" if a reaction can be improved by using microwave irradiation.

Reticulation of Aqueous Polyurethane Systems Controlled by DSC Method

PubMed Central

Cakic, Suzana; Lacnjevac, Caslav; Rajkovic, Milos B.; Raskovic, Ljiljana; Stamenkovic, Jakov

2006-01-01

The DSC method has been employed to monitor the kinetics of reticulation of aqueous polyurethane systems without catalysts, and with the commercial catalyst of zirconium (CAT®XC-6212) and the highly selective manganese catalyst, the complex Mn(III)-diacetylacetonemaleinate (MAM). Among the polyol components, the acrylic emulsions were used for reticulation in this research, and as suitable reticulation agents the water emulsible aliphatic polyisocyanates based on hexamethylendoisocyanate with the different contents of NCO-groups were employed. On the basis of DSC analysis, applying the methods of Kissinger, Freeman-Carroll and Crane-Ellerstein the pseudo kinetic parameters of the reticulation reaction of aqueous systems were determined. The temperature of the examination ranged from 50°C to 450°C with the heat rate of 0.5°C/min. The reduction of the activation energy and the increase of the standard deviation indicate the catalytic action of the selective catalysts of zirconium and manganese. The impact of the catalysts on the reduction of the activation energy is the strongest when using the catalysts of manganese and applying all the three afore-said methods. The least aberrations among the stated methods in defining the kinetic parameters were obtained by using the manganese catalyst.

Predicting activation energy of thermolysis of polynitro arenes through molecular structure.

PubMed

Keshavarz, Mohammad Hossein; Pouretedal, Hamid Reza; Shokrolahi, Arash; Zali, Abbas; Semnani, Abolfazl

2008-12-15

The paper presents a new method for activation energy or the Arrhenius parameter E(a) of the thermolysis in the condensed state for different polynitro arenes as an important class of energetic molecules. The methodology assumes that E(a) of a polynitro arene with general formula C(a)H(b)N(c)O(d) can be expressed as a function of optimized elemental composition as well as the contribution of specific molecular structural parameters. The new method can predict E(a) of the thermolysis under conditions of Soviet Manometric Method (SMM), which can be related to the other convenient methods. The new correlation has the root mean square (rms) and the average deviations of 13.79 and 11.94kJ/mol, respectively, for 20 polynitro arenes with different molecular structures. The proposed new method can also be used to predict E(a) of three polynitro arenes, i.e. 2,2',2'',4,4',4'',6,6',6''-nonanitro-1,1':3',1''-terphenyl (NONA), 3,3'-diamino-2,2',4,4',6,6'-hexanitro-1,1'-biphenyl-3,3'-diamine (DIPAM) and N,N-bis(2,4-dinitrophenyl)-2,4,6-trinitroaniline (NTFA), which have complex molecular structures.

An isotherm-based thermodynamic model of multicomponent aqueous solutions, applicable over the entire concentration range.

PubMed

Dutcher, Cari S; Ge, Xinlei; Wexler, Anthony S; Clegg, Simon L

2013-04-18

In previous studies (Dutcher et al. J. Phys. Chem. C 2011, 115, 16474-16487; 2012, 116, 1850-1864), we derived equations for the Gibbs energy, solvent and solute activities, and solute concentrations in multicomponent liquid mixtures, based upon expressions for adsorption isotherms that include arbitrary numbers of hydration layers on each solute. In this work, the long-range electrostatic interactions that dominate in dilute solutions are added to the Gibbs energy expression, thus extending the range of concentrations for which the model can be used from pure liquid solute(s) to infinite dilution in the solvent, water. An equation for the conversion of the reference state for solute activity coefficients to infinite dilution in water has been derived. A number of simplifications are identified, notably the equivalence of the sorption site parameters r and the stoichiometric coefficients of the solutes, resulting in a reduction in the number of model parameters. Solute concentrations in mixtures conform to a modified Zdanovskii-Stokes-Robinson mixing rule, and solute activity coefficients to a modified McKay-Perring relation, when the effects of the long-range (Debye-Hückel) term in the equations are taken into account. Practical applications of the equations to osmotic and activity coefficients of pure aqueous electrolyte solutions and mixtures show both satisfactory accuracy from low to high concentrations, together with a thermodynamically reasonable extrapolation (beyond the range of measurements) to extreme concentration and to the pure liquid solute(s).

Energy conditions in f (T, TG) gravity

NASA Astrophysics Data System (ADS)

Jawad, Abdul

2015-05-01

This paper is devoted to study the energy conditions in f( T, T G ) gravity for the FRW universe with perfect fluid, where T is the torsion scalar and T G is the quartic torsion scalar. We construct the energy conditions in this theory and discuss them for two specific f( T, T G ) models. These models are and , which represent viability through some cosmological scenarios. We consider cosmographic parameters to simplify the energy condition expressions. The present-day values of these parameters are assumed to check the constraints on model parameters through energy condition inequalities.

The effect of concentration- and temperature-dependent dielectric constant on the activity coefficient of NaCl electrolyte solutions

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

Valiskó, Mónika; Boda, Dezső, E-mail: boda@almos.vein.hu

2014-06-21

Our implicit-solvent model for the estimation of the excess chemical potential (or, equivalently, the activity coefficient) of electrolytes is based on using a dielectric constant that depends on the thermodynamic state, namely, the temperature and concentration of the electrolyte, ε(c, T). As a consequence, the excess chemical potential is split into two terms corresponding to ion-ion (II) and ion-water (IW) interactions. The II term is obtained from computer simulation using the Primitive Model of electrolytes, while the IW term is estimated from the Born treatment. In our previous work [J. Vincze, M. Valiskó, and D. Boda, “The nonmonotonic concentration dependencemore » of the mean activity coefficient of electrolytes is a result of a balance between solvation and ion-ion correlations,” J. Chem. Phys. 133, 154507 (2010)], we showed that the nonmonotonic concentration dependence of the activity coefficient can be reproduced qualitatively with this II+IW model without using any adjustable parameter. The Pauling radii were used in the calculation of the II term, while experimental solvation free energies were used in the calculation of the IW term. In this work, we analyze the effect of the parameters (dielectric constant, ionic radii, solvation free energy) on the concentration and temperature dependence of the mean activity coefficient of NaCl. We conclude that the II+IW model can explain the experimental behavior using a concentration-dependent dielectric constant and that we do not need the artificial concept of “solvated ionic radius” assumed by earlier studies.« less

Electron acceleration in a flare plasma via coronal circuits. (German Title: Elektronenbeschleunigung im Flareplasma modelliert mit koronalen Schaltkreisen)

NASA Astrophysics Data System (ADS)

Önel, Hakan

2008-08-01

The Sun is a star, which due to its proximity has a tremendous influence on Earth. Since its very first days mankind tried to "understand the Sun", and especially in the 20th century science has uncovered many of the Sun's secrets by using high resolution observations and describing the Sun by means of models. As an active star the Sun's activity, as expressed in its magnetic cycle, is closely related to the sunspot numbers. Flares play a special role, because they release large energies on very short time scales. They are correlated with enhanced electromagnetic emissions all over the spectrum. Furthermore, flares are sources of energetic particles. Hard X-ray observations (e.g., by NASA's RHESSI spacecraft) reveal that a large fraction of the energy released during a flare is transferred into the kinetic energy of electrons. However the mechanism that accelerates a large number of electrons to high energies (beyond 20 keV) within fractions of a second is not understood yet. The thesis at hand presents a model for the generation of energetic electrons during flares that explains the electron acceleration based on real parameters obtained by real ground and space based observations. According to this model photospheric plasma flows build up electric potentials in the active regions in the photosphere. Usually these electric potentials are associated with electric currents closed within the photosphere. However as a result of magnetic reconnection, a magnetic connection between the regions of different magnetic polarity on the photosphere can establish through the corona. Due to the significantly higher electric conductivity in the corona, the photospheric electric power supply can be closed via the corona. Subsequently a high electric current is formed, which leads to the generation of hard X-ray radiation in the dense chromosphere. The previously described idea is modelled and investigated by means of electric circuits. For this the microscopic plasma parameters, the magnetic field geometry and hard X-ray observations are used to obtain parameters for modelling macroscopic electric components, such as electric resistors, which are connected with each other. This model demonstrates that such a coronal electric current is correlated with large scale electric fields, which can accelerate the electrons quickly up to relativistic energies. The results of these calculations are encouraging. The electron fluxes predicted by the model are in agreement with the electron fluxes deduced from the measured photon fluxes. Additionally the model developed in this thesis proposes a new way to understand the observed double footpoint hard X-ray sources.

Scientific Communication and the Unified Laboratory Sequence1

NASA Astrophysics Data System (ADS)

Silverstein, Todd P.; Hudak, Norman J.; Chapple, Frances H.; Goodney, David E.; Brink, Christina P.; Whitehead, Joyce P.

1997-02-01

The "Temperature Dependent Relaxation Kinetics" lab was first implemented in 1987; it uses stopped-flow pH jump techniques to determine rate constants and activation parameters (H, S, G) for a reaction mechanism. Two new experiments (Monoamine Oxidase, and Molecular Modeling) will be implemented in the fall of 1997. The "Monoamine Oxidase" project uses chromatography and spectrophotometry to purify and characterize the enzyme. Subsequent photometric assays explore the enzyme's substrate specificity, activation energy, and denaturation. Finally, in the "Molecular Modeling"project, students characterize enzyme - substrate and drug - receptor interactions. Energy minimization protocols are used to make predictions about protein structure and ligand binding, and to explore pharmacological and biomedical implications. With these additions, the twelve Unified Laboratory projects introduce our chemistry majors to nearly all of the instrumental methods commonly encountered in modern chemistry.

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.

Using Multistate Reweighting to Rapidly and Efficiently Explore Molecular Simulation Parameters Space for Nonbonded Interactions.

PubMed

Paliwal, Himanshu; Shirts, Michael R

2013-11-12

Multistate reweighting methods such as the multistate Bennett acceptance ratio (MBAR) can predict free energies and expectation values of thermodynamic observables at poorly sampled or unsampled thermodynamic states using simulations performed at only a few sampled states combined with single point energy reevaluations of these samples at the unsampled states. In this study, we demonstrate the power of this general reweighting formalism by exploring the effect of simulation parameters controlling Coulomb and Lennard-Jones cutoffs on free energy calculations and other observables. Using multistate reweighting, we can quickly identify, with very high sensitivity, the computationally least expensive nonbonded parameters required to obtain a specified accuracy in observables compared to the answer obtained using an expensive "gold standard" set of parameters. We specifically examine free energy estimates of three molecular transformations in a benchmark molecular set as well as the enthalpy of vaporization of TIP3P. The results demonstrates the power of this multistate reweighting approach for measuring changes in free energy differences or other estimators with respect to simulation or model parameters with very high precision and/or very low computational effort. The results also help to identify which simulation parameters affect free energy calculations and provide guidance to determine which simulation parameters are both appropriate and computationally efficient in general.

Model of Energy Spectrum Parameters of Ground Level Enhancement Events in Solar Cycle 23

NASA Astrophysics Data System (ADS)

Wu, S.-S.; Qin, G.

2018-01-01

Mewaldt et al. (2012) fitted the observations of the ground level enhancement (GLE) events during solar cycle 23 to the double power law equation to obtain the four spectral parameters, the normalization constant C, low-energy power law slope γ1, high-energy power law slope γ2, and break energy E0. There are 16 GLEs from which we select 13 for study by excluding some events with complicated situation. We analyze the four parameters with conditions of the corresponding solar events. According to solar event conditions, we divide the GLEs into two groups, one with strong acceleration by interplanetary shocks and another one without strong acceleration. By fitting the four parameters with solar event conditions we obtain models of the parameters for the two groups of GLEs separately. Therefore, we establish a model of energy spectrum of solar cycle 23 GLEs, which may be used in prediction in the future.

Minimizing energy dissipation of matrix multiplication kernel on Virtex-II

NASA Astrophysics Data System (ADS)

Choi, Seonil; Prasanna, Viktor K.; Jang, Ju-wook

2002-07-01

In this paper, we develop energy-efficient designs for matrix multiplication on FPGAs. To analyze the energy dissipation, we develop a high-level model using domain-specific modeling techniques. In this model, we identify architecture parameters that significantly affect the total energy (system-wide energy) dissipation. Then, we explore design trade-offs by varying these parameters to minimize the system-wide energy. For matrix multiplication, we consider a uniprocessor architecture and a linear array architecture to develop energy-efficient designs. For the uniprocessor architecture, the cache size is a parameter that affects the I/O complexity and the system-wide energy. For the linear array architecture, the amount of storage per processing element is a parameter affecting the system-wide energy. By using maximum amount of storage per processing element and minimum number of multipliers, we obtain a design that minimizes the system-wide energy. We develop several energy-efficient designs for matrix multiplication. For example, for 6×6 matrix multiplication, energy savings of upto 52% for the uniprocessor architecture and 36% for the linear arrary architecture is achieved over an optimized library for Virtex-II FPGA from Xilinx.

A preliminary evaluation of myoelectrical energy distribution of the front neck muscles in pharyngeal phase during normal swallowing.

PubMed

Mingxing Zhu; Wanzhang Yang; Samuel, Oluwarotimi Williams; Yun Xiang; Jianping Huang; Haiqing Zou; Guanglin Li

2016-08-01

Pharyngeal phase is a central hub of swallowing in which food bolus pass through from the oral cavity to the esophageal. Proper understanding of the muscular activities in the pharyngeal phase is useful for assessing swallowing function and the occurrence of dysphagia in humans. In this study, high-density (HD) surface electromyography (sEMG) was used to study the muscular activities in the pharyngeal phase during swallowing tasks involving three healthy male subjects. The root mean square (RMS) of the HD sEMG data was computed by using a series of segmented windows as myoelectrical energy. And the RMS of each window covering all channels (16×5) formed a matrix. During the pharyngeal phase of swallowing, three of the matrixes were chosen and normalized to obtain the HD energy maps and the statistical parameter. The maps across different viscosity levels offered the energy distribution which showed the muscular activities of the left and right sides of the front neck muscles. In addition, the normalized average RMS (NARE) across different viscosity levels revealed a left-right significant correlation (r=0.868±0.629, p<;0.01) quantitatively, while it showed even stronger correlation when swallowing water. This pilot study suggests that HD sEMG would be a potential tool to evaluate muscular activities in pharyngeal phase during normal swallowing. Also, it might provide useful information for dysphagia diagnosis.

The convergence of complete active space self-consistent-field configuration interaction including all single and double excitation energies to the complete basis set limit

NASA Astrophysics Data System (ADS)

Petersson, George A.; Malick, David K.; Frisch, Michael J.; Braunstein, Matthew

2006-07-01

Examination of the convergence of full valence complete active space self-consistent-field configuration interaction including all single and double excitation (CASSCF-CISD) energies with expansion of the one-electron basis set reveals a pattern very similar to the convergence of single determinant energies. Calculations on the lowest four singlet states and the lowest four triplet states of N2 with the sequence of n-tuple-ζ augmented polarized (nZaP) basis sets (n =2, 3, 4, 5, and 6) are used to establish the complete basis set limits. Full configuration-interaction (CI) and core electron contributions must be included for very accurate potential energy surfaces. However, a simple extrapolation scheme that has no adjustable parameters and requires nothing more demanding than CAS(10e -,8orb)-CISD/3ZaP calculations gives the Re, ωe, ωeXe, Te, and De for these eight states with rms errors of 0.0006Å, 4.43cm-1, 0.35cm-1, 0.063eV, and 0.018eV, respectively.

Rayleigh lidar observations of gravity wave activity in the stratosphere and lower mesosphere

NASA Technical Reports Server (NTRS)

Miller, M. S.; Gardner, C. S.; Liu, C. H.

1987-01-01

Forty-two monochromatic gravity wave events were observed in the 25 to 55 km altitude region during 16 nights of Rayleigh lidar measurements at Poker Flat, Alaska and Urbana, Illinois. The measured wave parameters were compared to previous radar and lidar measurements of gravity wave activity. Vertical wavelengths, lambda(z), between 2 and 11.5 km with vertical phase velocities, c(z), between 0.1 and 1 m/s were observed. Measured values of lambda(z) and c(z) were used to infer observed wave periods, T(ob), between 50 and 1000 minutes and horizontal wavelengths, lambda(x), from 25 to 2000 km. Dominant wave activity was found at vertical wavelengths between 2 to 4 km and 7 to 10 km. No seasonal variations were evident in the observed wave parameters. Vertical and horizontal wavelengths showed a clear tendency to increase with T(ob), which is consistent with recent sodium lidar studies of monochromatic wave events near the mesopause. Measured power law relationships between the wave parameters were lambda(z) varies as T(ob) sup 0.96, lambda(x) varies as T(ob) sup 1.8, and c(z) varies as T(ob) sup -0.85. The kinetic energy calculated for the monochromatic wave events varied as k(z) sup -2, k(x) sup -1, and f(ob) sup -1.7. The atmospheric scale heights calculated for each observation date range from 6.5 to 7.6 km with a mean value of 7 km. The increase of rms wind perturbations with altitude indicated an amplitude growth length of 20.9 km. The altitude profile of kinetic energy density decreased with height, suggesting that waves in this altitude region were subject to dissipation or saturation effects.

Evaluation of health-related physical fitness parameters and association analysis with depression, anxiety, and quality of life in patients with fibromyalgia.

PubMed

Sener, Umit; Ucok, Kagan; Ulasli, Alper M; Genc, Abdurrahman; Karabacak, Hatice; Coban, Necip F; Simsek, Hasan; Cevik, Halime

2016-08-01

The purpose of this study was to investigate the physical fitness parameters (maximal aerobic capacity, muscle strength and flexibility), daily physical activity, resting metabolic rate (RMR), pulmonary function tests (PFTs), body composition, depression, anxiety and health-related quality of life (HRQoL) changes as well as the associations among these parameters in patients with fibromyalgia and to compare them with healthy controls. Thirty-nine women with fibromyalgia and 40 controls were included in this study. Physical measurements, HRQoL questionnaire, Beck Depression Inventory (BDI) score and Beck Anxiety Inventory (BAI) score were applied to all participants. Maximal aerobic capacity, trunk flexibility, daily step numbers, total energy expenditure, RMR and PFT values were not significantly different between the patients and the controls. Fibromyalgia patients had higher daily moderate activity times, active energy expenditure values, and BDI and BAI scores, while their lower handgrip strength and back-leg strength values and Short-form health survey (SF)-36 scores were comparable to controls. Handgrip strength and back-leg strength values showed moderately positive correlations with SF-36 scores (total, physical health, mental health) and moderately negative correlations with BDI and BAI scores in patients with fibromyalgia. Our results suggested that muscle strength, HRQoL, depression and anxiety symptomatology were impaired in fibromyalgia patients compared to healthy controls. Low muscle strength is related to reduced HRQoL and increased depression and anxiety symptomatology in patients with fibromyalgia. Also we suggest that performing daily exercises, including aerobic and strength training, as part of one's lifestyle may have beneficial effects in fibromyalgia patients. © 2013 Asia Pacific League of Associations for Rheumatology and Wiley Publishing Asia Pty Ltd.

Application of cinchona-sulfonate-based chiral zwitterionic ion exchangers for the separation of proline-containing dipeptide rotamers and determination of on-column isomerization parameters from dynamic elution profiles.

PubMed

Wernisch, Stefanie; Trapp, Oliver; Lindner, Wolfgang

2013-09-17

The interconversion of cis and trans isomers of dipeptides containing C-terminal proline was studied by dynamic chromatography on zwitterionic chiral stationary phases at temperatures ranging from -15°C to +45°C The cis-trans isomers could be separated below 0°C and above 0-10°C plateau formation and peak coalescence phenomena occurred, which is characteristic for a dynamic process at the time-scale of partitioning. At and above room temperature, full coalescence was observed, which allowed separations of enantiomers without interference from interconversion effects. Analysis of the dynamic elution profiles of the interconverting peptides allowed the determination of isomerization rate constants and thermodynamic activation parameters (isomerization enthalpy, entropy and activation energy). In accordance with established results, isomerization rates and thermodynamic parameters were found to depend on the nature of the N-terminal amino acid. Isomerization barriers were only slightly lower than values determined with other methods but significant differences in the relative contributions of the activation enthalpy and entropy as well as isomerization rates pointed toward selector-moderated isomerization dynamics. Copyright © 2013 Elsevier B.V. All rights reserved.

Comparison of Degrees of Potential-Energy-Surface Anharmonicity for Complexes and Clusters with Hydrogen Bonds

NASA Astrophysics Data System (ADS)

Kozlovskaya, E. N.; Doroshenko, I. Yu.; Pogorelov, V. E.; Vaskivskyi, Ye. V.; Pitsevich, G. A.

2018-01-01

Previously calculated multidimensional potential-energy surfaces of the MeOH monomer and dimer, water dimer, malonaldehyde, formic acid dimer, free pyridine-N-oxide/trichloroacetic acid complex, and protonated water dimer were analyzed. The corresponding harmonic potential-energy surfaces near the global minima were constructed for series of clusters and complexes with hydrogen bonds of different strengths based on the behavior of the calculated multidimensional potential-energy surfaces. This enabled the introduction of an obvious anharmonicity parameter for the calculated potential-energy surfaces. The anharmonicity parameter was analyzed as functions of the size of the analyzed area near the energy minimum, the number of points over which energies were compared, and the dimensionality of the solved vibrational problem. Anharmonicity parameters for potential-energy surfaces in complexes with strong, medium, and weak H-bonds were calculated under identical conditions. The obtained anharmonicity parameters were compared with the corresponding diagonal anharmonicity constants for stretching vibrations of the bridging protons and the lengths of the hydrogen bridges.

"Cooking the sample": radiofrequency induced heating during solid-state NMR experiments.

PubMed

d'Espinose de Lacaillerie, Jean-Baptiste; Jarry, Benjamin; Pascui, Ovidiu; Reichert, Detlef

2005-09-01

Dissipation of radiofrequency (RF) energy as heat during continuous wave decoupling in solid-state NMR experiment was examined outside the conventional realm of such phenomena. A significant temperature increase could occur while performing dynamic NMR measurements provided the sample contains polar molecules and the sequence calls for relatively long applications of RF power. It was shown that the methyl flip motion in dimethylsulfone (DMS) is activated by the decoupling RF energy conversion to heat during a CODEX pulse sequence. This introduced a significant bias in the correlation time-temperature dependency measurement used to obtain the activation energy of the motion. By investigating the dependency of the temperature increase in hydrated lead nitrate on experimental parameters during high-power decoupling one-pulse experiments, the mechanisms for the RF energy deposition was identified. The samples were heated due to dissipation of the energy absorbed by dielectric losses, a phenomenon commonly known as "microwave" heating. It was thus established that during solid-state NMR experiments at moderate B0 fields, RF heating could lead to the heating of samples containing polar molecules such as hydrated polymers and inorganic solids. In particular, this could result in systematic errors for slow dynamics measurements by solid-state NMR.

Research on Matching Method of Power Supply Parameters for Dual Energy Source Electric Vehicles

NASA Astrophysics Data System (ADS)

Jiang, Q.; Luo, M. J.; Zhang, S. K.; Liao, M. W.

2018-03-01

A new type of power source is proposed, which is based on the traffic signal matching method of the dual energy source power supply composed of the batteries and the supercapacitors. First, analyzing the power characteristics is required to meet the excellent dynamic characteristics of EV, studying the energy characteristics is required to meet the mileage requirements and researching the physical boundary characteristics is required to meet the physical conditions of the power supply. Secondly, the parameter matching design with the highest energy efficiency is adopted to select the optimal parameter group with the method of matching deviation. Finally, the simulation analysis of the vehicle is carried out in MATLABSimulink, The mileage and energy efficiency of dual energy sources are analyzed in different parameter models, and the rationality of the matching method is verified.

Thermochemistry is not a lower bound to the activation energy of endothermic reactions: a kinetic study of the gas-phase reaction of atomic chlorine with ammonia.

PubMed

Gao, Yide; Alecu, I M; Hsieh, P-C; Morgan, Brad P; Marshall, Paul; Krasnoperov, Lev N

2006-06-01

The rate constant for Cl + NH3 --> HCl + NH2 has been measured over 290-570 K by the time-resolved resonance fluorescence technique. Ground-state Cl atoms were generated by 193 nm excimer laser photolysis of CCl4 and reacted under pseudo-first-order conditions with excess NH3. The forward rate constant was fit by the expression k1 = (1.08 +/- 0.05) x 10(-11) exp(-11.47 +/- 0.16 kJ mol(-1)/RT) cm3 molecule(-1) s(-1), where the uncertainties in the Arrhenius parameters are +/-1 sigma and the 95% confidence limits for k1 are +/-11%. To rationalize the activation energy, which is 7.4 kJ mol(-1) below the endothermicity in the middle of the 1/T range, the potential energy surface was characterized with MPWB1K/6-31++G(2df,2p) theory. The products NH2 + HCl form a hydrogen-bonded adduct, separated from Cl + NH3 by a transition state lower in energy than the products. The rate constant for the reverse process k(-1) was derived via modified transition state theory, and the computed k(-1) exhibits a negative activation energy, which in combination with the experimental equilibrium constant yields k1 in fair accord with experiment.

CAN A NANOFLARE MODEL OF EXTREME-ULTRAVIOLET IRRADIANCES DESCRIBE THE HEATING OF THE SOLAR CORONA?

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

Tajfirouze, E.; Safari, H.

2012-01-10

Nanoflares, the basic units of impulsive energy release, may produce much of the solar background emission. Extrapolation of the energy frequency distribution of observed microflares, which follows a power law to lower energies, can give an estimation of the importance of nanoflares for heating the solar corona. If the power-law index is greater than 2, then the nanoflare contribution is dominant. We model a time series of extreme-ultraviolet emission radiance as random flares with a power-law exponent of the flare event distribution. The model is based on three key parameters: the flare rate, the flare duration, and the power-law exponentmore » of the flare intensity frequency distribution. We use this model to simulate emission line radiance detected in 171 A, observed by Solar Terrestrial Relation Observatory/Extreme-Ultraviolet Imager and Solar Dynamics Observatory/Atmospheric Imaging Assembly. The observed light curves are matched with simulated light curves using an Artificial Neural Network, and the parameter values are determined across the active region, quiet Sun, and coronal hole. The damping rate of nanoflares is compared with the radiative losses cooling time. The effect of background emission, data cadence, and network sensitivity on the key parameters of the model is studied. Most of the observed light curves have a power-law exponent, {alpha}, greater than the critical value 2. At these sites, nanoflare heating could be significant.« less

Analytical solution of concentric two-pole Halbach cylinders as a preliminary design tool for magnetic refrigeration systems

NASA Astrophysics Data System (ADS)

Fortkamp, F. P.; Lozano, J. A.; Barbosa, J. R.

2017-12-01

This work presents a parametric analysis of the performance of nested permanent magnet Halbach cylinders intended for applications in magnetic refrigeration and heat pumping. An analytical model for the magnetic field generated by the cylinders is used to systematically investigate the influence of their geometric parameters. The proposed configuration generates two poles in the air gap between the cylinders, where active magnetic regenerators are positioned for conversion of magnetic work into cooling capacity or heat power. A sample geometry based on previous designs of magnetic refrigerators is investigated, and the results show that the magnetic field in the air gap oscillates between 0 to approximately 1 T, forming a rectified cosine profile along the circumference of the gap. Calculations of the energy density of the magnets indicate the need to operate at a low energy (particular the inner cylinder) in order to generate a magnetic profile suitable for a magnetic cooler. In practice, these low-energy regions of the magnet can be potentially replaced by soft ferromagnetic material. A parametric analysis of the air gap height has been performed, showing that there are optimal values which maximize the magnet efficiency parameter Λcool . Some combinations of cylinder radii resulted in magnetic field changes that were too small for practical purposes. No demagnetization of the cylinders has been found for the range of parameters considered.

Spatial and Temporal Energy Characterization of Precipitating Electrons for the January 10th, 1997 Magnetic Cloud Event

NASA Technical Reports Server (NTRS)

Spann, J. F., Jr.; Germany, G. A.; Brittnacher, M. J.; Parks, G. K.; Elsen, R.

1997-01-01

The January 10-11, 1997 magnetic cloud event provided a rare opportunity to study auroral energy deposition under varying but intense IMF conditions. The Wind spacecraft located about 100 RE upstream monitored the IMF and plasma parameters during the passing of the cloud. The Polar Ultraviolet Imager (UVI) observed the aurora[ precipitation during the first encounter of the cloud with Earth's magnetosphere and during several subsequent substorm events. The UVI has the unique capability of measuring the energy flux and characteristic energy of the precipitating electrons through the use of narrow band filters that distinguish short and long wavelength molecular nitrogen emissions. The spatial and temporal characteristics of the precipitating electron energy will be discussed beginning with the inception of the event at the Earth early January 1 Oth and continuing through the subsidence of auroral activity on January 11th.

Electroadsorption of acilan blau dye from textile effluents by using activated carbon-perlite mixtures.

PubMed

Koparal, A S; Yavuz, Y; Bakir Ogütveren, U

2002-01-01

The feasibility of the removal of dye stuffs from textile effluents by electroadsorption has been investigated. An activated carbon-perlite mixture with a ratio of 8:1 for bipolarity has been used as the adsorbent. Conventional adsorption experiments have also been conducted for comparison. A bipolar trickle reactor has been used in the electroadsorption experiments. The model wastewater has been prepared by using acilan blau dye. Initial dye concentration, bed height between the electrodes, applied potential, flowrate, and the supporting electrolyte concentration have been examined as the parameters affecting the removal efficiency. A local textile plant effluent has been treated in the optimum values of these parameters obtained from the experimental studies. Adsorption kinetics and the amount of adsorbent required to reach the maximum removal efficiency have also been investigated and mass-transfer coefficients have been calculated for adsorption and electroadsorption. The results showed that a removal efficiency of up to 100% can be achieved with energy consumption values of 1.58 kWh/m3 of wastewater treated. However, energy consumption decreases to 0.09 kWh/m3 if an exit dye concentration of 4.65 mg/L is accepted. It can be concluded from this work that this method combines all of the advantages of the activated-carbon adsorption and electrolytic methods for the removal of dyes from wastewater.

Vibrational spectroscopic and DFT calculation studies of 2-amino-7-bromo-5-oxo-[1]benzopyrano [2,3-b]pyridine-3 carbonitrile.

PubMed

Premkumar, S; Jawahar, A; Mathavan, T; Kumara Dhas, M; Milton Franklin Benial, A

2015-03-05

The vibrational spectra of 2-amino-7-bromo-5-oxo-[1]benzopyrano [2,3-b]pyridine-3 carbonitrile were recorded using fourier transform-infrared and fourier transform-Raman spectrometer. The optimized structural parameters, vibrational frequencies, Mulliken atomic charge distribution, frontier molecular orbitals, thermodynamic properties, temperature dependence of thermodynamic parameters, first order hyperpolarizability and natural bond orbital calculations of the molecule were performed using the Gaussian 09 program. The vibrational frequencies were assigned on the basis of potential energy distribution calculation using the VEDA 4.0 program. The calculated first order hyperpolarizability of ABOBPC molecule was obtained as 6.908×10(-30) issue, which was 10.5 times greater than urea. The nonlinear optical activity of the molecule was also confirmed by the frontier molecular orbitals and natural bond orbital analysis. The frontier molecular orbitals analysis shows that the lower energy gap of the molecule, which leads to the higher value of first order hyperpolarizability. The natural bond orbital analysis indicates that the nonlinear optical activity of the molecule arises due to the π→π(∗) transitions. The Mulliken atomic charge distribution confirms the presence of intramolecular charge transfer within the molecule. The reactive site of the molecule was predicted from the molecular electrostatic potential contour map. The values of thermo dynamic parameters were increasing with increasing temperature. Copyright © 2014 Elsevier B.V. All rights reserved.

Computer simulations of alkali-acetate solutions: Accuracy of the forcefields in difference concentrations

NASA Astrophysics Data System (ADS)

Ahlstrand, Emma; Zukerman Schpector, Julio; Friedman, Ran

2017-11-01

When proteins are solvated in electrolyte solutions that contain alkali ions, the ions interact mostly with carboxylates on the protein surface. Correctly accounting for alkali-carboxylate interactions is thus important for realistic simulations of proteins. Acetates are the simplest carboxylates that are amphipathic, and experimental data for alkali acetate solutions are available and can be compared with observables obtained from simulations. We carried out molecular dynamics simulations of alkali acetate solutions using polarizable and non-polarizable forcefields and examined the ion-acetate interactions. In particular, activity coefficients and association constants were studied in a range of concentrations (0.03, 0.1, and 1M). In addition, quantum-mechanics (QM) based energy decomposition analysis was performed in order to estimate the contribution of polarization, electrostatics, dispersion, and QM (non-classical) effects on the cation-acetate and cation-water interactions. Simulations of Li-acetate solutions in general overestimated the binding of Li+ and acetates. In lower concentrations, the activity coefficients of alkali-acetate solutions were too high, which is suggested to be due to the simulation protocol and not the forcefields. Energy decomposition analysis suggested that improvement of the forcefield parameters to enable accurate simulations of Li-acetate solutions can be achieved but may require the use of a polarizable forcefield. Importantly, simulations with some ion parameters could not reproduce the correct ion-oxygen distances, which calls for caution in the choice of ion parameters when protein simulations are performed in electrolyte solutions.

Adolescent Changes in Homeostatic Regulation of EEG Activity in the Delta and Theta Frequency Bands during NREM Sleep

PubMed Central

Campbell, Ian G.; Darchia, Nato; Higgins, Lisa M.; Dykan, Igor V.; Davis, Nicole M.; de Bie, Evan; Feinberg, Irwin

2011-01-01

Study Objectives: Slow wave EEG activity in NREM sleep decreases by more than 60% between ages 10 and 20 years. Slow wave EEG activity also declines across NREM periods (NREMPs) within a night, and this decline is thought to represent the dynamics of sleep homeostasis. We used longitudinal data to determine whether these homeostatic dynamics change across adolescence. Design: All-night sleep EEG was recorded semiannually for 6 years. Setting: EEG was recorded with ambulatory recorders in the subjects' homes. Participants: Sixty-seven subjects in 2 cohorts, one starting at age 9 and one starting at age 12 years. Measurements and Results: For NREM delta (1-4 Hz) and theta (4-8 Hz) EEG, we tested whether the proportion of spectral energy contained in the first NREMP changes with age. We also tested for age changes in the parameters of the process S exponential decline. For both delta and theta, the proportion of energy in the first NREMP declined significantly across ages 9 to 18 years. Process S parameters SWA0 and TWA0, respectively, represent slow wave (delta) activity and theta wave activity at the beginning of the night. SWA0 and TWA0 declined significantly (P < 0.0001) across ages 9 to 18. Conclusions: These declines indicate that the intensity of the homeostatic or restorative processes at the beginning of sleep diminished across adolescence. We propose that this change in sleep regulation is caused by the synaptic pruning that occurs during adolescent brain maturation. Citation: Campbell IG; Darchia N; Higgins LM; Dykan IV; Davis NM; de Bie E; Feinberg I. Adolescent changes in homeostatic regulation of EEG activity in the delta and theta frequency bands during NREM sleep. SLEEP 2011;34(1):83-91. PMID:21203377

Sensitivity of combustion and ignition characteristics of the solid-fuel charge of the microelectromechanical system of a microthruster to macrokinetic and design parameters

NASA Astrophysics Data System (ADS)

Futko, S. I.; Ermolaeva, E. M.; Dobrego, K. V.; Bondarenko, V. P.; Dolgii, L. N.

2012-07-01

We have developed a sensitivity analysis permitting effective estimation of the change in the impulse responses of a microthrusters and in the ignition characteristics of the solid-fuel charge caused by the variation of the basic macrokinetic parameters of the mixed fuel and the design parameters of the microthruster's combustion chamber. On the basis of the proposed sensitivity analysis, we have estimated the spread of both the propulsive force and impulse and the induction period and self-ignition temperature depending on the macrokinetic parameters of combustion (pre-exponential factor, activation energy, density, and heat content) of the solid-fuel charge of the microthruster. The obtained results can be used for rapid and effective estimation of the spread of goal functions to provide stable physicochemical characteristics and impulse responses of solid-fuel mixtures in making and using microthrusters.

Estimating Arrhenius parameters using temperature programmed molecular dynamics.

PubMed

Imandi, Venkataramana; Chatterjee, Abhijit

2016-07-21

Kinetic rates at different temperatures and the associated Arrhenius parameters, whenever Arrhenius law is obeyed, are efficiently estimated by applying maximum likelihood analysis to waiting times collected using the temperature programmed molecular dynamics method. When transitions involving many activated pathways are available in the dataset, their rates may be calculated using the same collection of waiting times. Arrhenius behaviour is ascertained by comparing rates at the sampled temperatures with ones from the Arrhenius expression. Three prototype systems with corrugated energy landscapes, namely, solvated alanine dipeptide, diffusion at the metal-solvent interphase, and lithium diffusion in silicon, are studied to highlight various aspects of the method. The method becomes particularly appealing when the Arrhenius parameters can be used to find rates at low temperatures where transitions are rare. Systematic coarse-graining of states can further extend the time scales accessible to the method. Good estimates for the rate parameters are obtained with 500-1000 waiting times.

Effect of 50MeV Li{sup 3+} ion irradiation on structural, optical and electrical properties of amorphous Se{sub 95}Zn{sub 5} thin films

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

Ahmad, Shabir, E-mail: shaphyjmi@gmail.com; Sethi, Riti; Nasir, Mohd

2015-08-28

Present work focuses on the effect of swift heavy ion (SHI) irradiation of 50MeV Li{sup 3+} ions by varying the fluencies in the range of 1×10{sup 12} to 5×10{sup 13} ions/cm{sup 2} on the morphological, structural, optical and electrical properties of amorphous Se{sub 95}Zn{sub 5} thin films. Thin films of ~250nm thickness were deposited on cleaned glass substrates by thermal evaporation technique. X-ray diffraction (XRD) analysis shows the pristine thin film of Se{sub 95}Zn{sub 5} growsin hexagonal phase structure. Also it was found that the small peak observed in XRD spectra vanishes after SHI irradiation indicates the defects of themore » material increases. The optical parameters: absorption coefficient (α), extinction coefficient (K), refractive index (n) optical band gap (E{sub g}) and Urbach’s energy (E{sub U}) are determined from optical absorption spectra data measured from spectrophotometry in the wavelength range 200-1000nm. It was found that the values of absorption coefficient, refractive index and extinction coefficient increases while the value optical band gap decreases with the increase of ion fluence. This post irradiation change in the optical parameters was interpreted in terms of bond distribution model. Electrical properties such as dc conductivity and temperature dependent photoconductivity of investigated thin films were carried out in the temperature range 309-370 K. Analysis of data shows activation energy of dark current is greater as compared to activation energy photocurrent. The value of activation energy decreases with the increase of ion fluence indicates that the defect density of states increases.Also it was found that the value of dc conductivity and photoconductivity increases with the increase of ion fluence.« less

SSE Data and Information

Atmospheric Science Data Center

2018-04-03

Surface meteorology and Solar Energy (SSE) Data and Information The Release 6.0 Surface meteorology and Solar Energy ( SSE ) data set contains parameters formulated for assessing and designing renewable energy systems. This latest release contains new parameters based on ...

Microflares and the Statistics of X-Ray Flares

NASA Technical Reports Server (NTRS)

Hannah, I. G.; Hudson, H. S.; Battaglia, M.; Christe, S.; Kasparova, J.; Krucker, S.; Kundu, M. R.; Veronig, A.

2011-01-01

This review surveys the statistics of solar X-ray flares, emphasising the new views that Reuven Ramaty High Energy Solar Spectroscopic Imager (RHESSI) has given us of the weaker events (the microflares). The new data reveal that these microflares strongly resemble more energetic events in most respects; they occur solely within active regions and exhibit high-temperature/nonthermal emissions in approximately the same proportion as major events. We discuss the distributions of flare parameters (e.g., peak flux) and how these parameters correlate, for instance via the Neupert effect. We also highlight the systematic biases involved in intercomparing data representing many decades of event magnitude. The intermittency of the flare/microflare occurrence, both in space and in time, argues that these discrete events do not explain general coronal heating, either in active regions or in the quiet Sun.

Radiofrequency Energy and Electrode Proximity Influences Stereoelectroencephalography-Guided Radiofrequency Thermocoagulation Lesion Size: An In Vitro Study with Clinical Correlation.

PubMed

Staudt, Michael D; Maturu, Sarita; Miller, Jonathan P

2018-02-16

Radiofrequency thermocoagulation of epileptogenic foci via stereoelectroencephalography (SEEG) electrodes has been suggested as a treatment for medically intractable epilepsy, but reported outcomes have been suboptimal, possibly because lesions generated using conventional high-energy radiofrequency parameters are relatively small. To describe a technique of delivering low energy across separate SEEG electrodes in order to create large confluent radiofrequency lesions. The size and configuration of radiofrequency lesions using different radiofrequency intensity and interelectrode distance was assessed in egg whites. Magnetic resonance images (MRI) from 3 patients who had undergone radiofrequency lesion creation were evaluated to determine the contribution of lesion intensity and electrode separation on lesion size. Electroencephalography, MRI, and clinical data were assessed before and after lesion creation. Both in Vitro and in Vivo analysis revealed that less energy paradoxically produced larger lesions, with the largest possible lesions produced when radiofrequency power was applied for long duration at less than 3 W. Linear separation of electrodes also contributed to lesion size, with largest lesions produced when electrodes were separated by a linear distance of between 5 and 12 mm. Clinical lesions produced using these parameters were large and resulted in improvement in interictal and ictal activity. Radiofrequency lesions produced using low-energy delivery between SEEG electrodes in close proximity can produce a large lesion. These findings might have advantages for treatment of focal epilepsy.

Engineering Ru@Pt Core-Shell Catalysts for Enhanced Electrochemical Oxygen Reduction Mass Activity and Stability.

PubMed

Jackson, Ariel; Strickler, Alaina; Higgins, Drew; Jaramillo, Thomas Francisco

2018-01-12

Improving the performance of oxygen reduction reaction (ORR) electrocatalysts is essential for the commercial efficacy of many renewable energy technologies, including low temperature polymer electrolyte fuel cells (PEFCs). Herein, we report highly active and stable carbon-supported Ru@Pt core-shell nanoparticles (Ru@Pt/C) prepared by a wet chemical synthesis technique. Through rotating disc electrode testing, the Ru@Pt/C achieves an ORR Pt mass-based activity of 0.50 A mg Pt -1 at 0.9 V versus the reversible hydrogen electrode (RHE), which exceeds the activity of the state-of-the-art commercial Pt/C catalyst as well as the Department of Energy 2020 PEFC electrocatalyst activity targets for transportation applications. The impact of various synthetic parameters, including Pt to Ru ratios and catalyst pretreatments (i.e., annealing) are thoroughly explored. Pt-based mass activity of all prepared Ru@Pt/C catalysts was found to exceed 0.4 mg Pt -1 across the range of compositions investigated, with the maximum activity catalyst having a Ru:Pt ratio of 1:1. This optimized composition of Ru@Pt/C catalyst demonstrated remarkable stability after 30,000 accelerated durability cycles (0.6 to 1.0 V vs. RHE at 125 mV s -1 ), maintaining 85% of its initial mass activity. Scanning transmission electron microscopy energy dispersive spectroscopy (STEM-EDS) analysis at various stages of electrochemical testing demonstrated that the Pt shell can provide sufficient protection against the dissolution of the otherwise unstable Ru core.

Exoskeleton Training May Improve Level of Physical Activity After Spinal Cord Injury: A Case Series

PubMed Central

Wade, Rodney; Sumrell, Ryan; Villadelgado, Lynette; Khalil, Refka E.; Lavis, Timothy

2017-01-01

Objectives: To determine whether the use of a powered exoskeleton can improve parameters of physical activity as determined by walking time, stand up time, and number of steps in persons with spinal cord injury (SCI). Methods: Three men with complete (1 C5 AIS A and 2 T4 AIS A) and one man with incomplete (C5 AIS D) SCI participated in a clinical rehabilitation program. In the training program, the participants walked once weekly using a powered exoskeleton (Ekso) for approximately 1 hour over the course of 10 to 15 weeks. Walking time, stand up time, ratio of walking to stand up time, and number of steps were determined. Oxygen uptake (L/min), energy expenditure, and body composition were measured in one participant after training. Results: Over the course of 10 to 15 weeks, the maximum walking time increased from 12 to 57 minutes and the number of steps increased from 59 to 2,284 steps. At the end of the training, the 4 participants were able to exercise for 26 to 59 minutes. For one participant, oxygen uptake increased from 0.27 L/min during rest to 0.55 L/min during walking. Maximum walking speed was 0.24 m/s, and delta energy expenditure increased by 1.4 kcal/min during walking. Body composition showed a modest decrease in absolute fat mass in one participant. Conclusion: Exoskeleton training may improve parameters of physical activity after SCI by increasing the number of steps and walking time. Other benefits may include increasing energy expenditure and improving the profile of body composition. PMID:29339900

High-rate activated sludge system for carbon management--Evaluation of crucial process mechanisms and design parameters.

PubMed

Jimenez, Jose; Miller, Mark; Bott, Charles; Murthy, Sudhir; De Clippeleir, Haydee; Wett, Bernhard

2015-12-15

The high-rate activated sludge (HRAS) process is a technology suitable for the removal and redirection of organics from wastewater to energy generating processes in an efficient manner. A HRAS pilot plant was operated under controlled conditions resulting in concentrating the influent particulate, colloidal, and soluble COD to a waste solids stream with minimal energy input by maximizing sludge production, bacterial storage, and bioflocculation. The impact of important process parameters such as solids retention time (SRT), hydraulic residence time (HRT) and dissolved oxygen (DO) levels on the performance of a HRAS system was demonstrated in a pilot study. The results showed that maximum removal efficiencies of soluble COD were reached at a DO > 0.3 mg O2/L, SRT > 0.5 days and HRT > 15 min which indicates that minimizing the oxidation of the soluble COD in the high-rate activated sludge process is difficult. The study of DO, SRT and HRT exhibited high degree of impact on the colloidal and particulate COD removal. Thus, more attention should be focused on controlling the removal of these COD fractions. Colloidal COD removal plateaued at a DO > 0.7 mg O2/L, SRT > 1.5 days and HRT > 30 min, similar to particulate COD removal. Concurrent increase in extracellular polymers (EPS) production in the reactor and the association of particulate and colloidal material into sludge flocs (bioflocculation) indicated carbon capture by biomass. The SRT impacted the overall mass and energy balance of the high-rate process indicating that at low SRT conditions, lower COD mineralization or loss of COD content occurred. In addition, the lower SRT conditions resulted in higher sludge yields and higher COD content in the WAS. Copyright © 2015 Elsevier Ltd. All rights reserved.

Pyrolysis and kinetic analyses of Camel grass (Cymbopogon schoenanthus) for bioenergy.

PubMed

Mehmood, Muhammad Aamer; Ye, Guangbin; Luo, Huibo; Liu, Chenguang; Malik, Sana; Afzal, Ifrah; Xu, Jianren; Ahmad, Muhammad Sajjad

2017-03-01

The aim of this work was to study the thermal degradation of grass (Cymbopogon schoenanthus) under an inert environment at three heating rates, including 10, 30, and 50°Cmin -1 in order to evaluate its bioenergy potential. Pyrolysis experiments were performed in a simultaneous Thermogravimetry-Differential Scanning Calorimetry analyzer. Thermal data were used to analyze kinetic parameters through isoconversional models of Flynn-Wall-Ozawa (FWO) and Kissenger-Akahira-Sunose (KSA) methods. The pre-exponential factors values have shown the reaction to follow first order kinetics. Activation energy values were shown to be 84-193 and 96-192kJmol -1 as calculated by KSA and FWO methods, respectively. Differences between activation energy and enthalpy of reaction values (∼5 to 6kJmol -1 ) showed product formation is favorable. The Gibb's free energy (173-177kJmol -1 ) and High Heating Value (15.00MJkg -1 ) have shown the considerable bioenergy potential of this low-cost biomass. Copyright © 2016 Elsevier Ltd. All rights reserved.

Imaging energy status in live cells with a fluorescent biosensor of the intracellular ATP-to-ADP ratio

PubMed Central

Tantama, Mathew; Martínez-François, Juan Ramón; Mongeon, Rebecca; Yellen, Gary

2013-01-01

The ATP:ADP ratio is a critical parameter of cellular energy status that regulates many metabolic activities. Here we report an optimized genetically-encoded fluorescent biosensor, PercevalHR, that senses the ATP:ADP ratio. PercevalHR is tuned to the range of intracellular ATP:ADP expected in mammalian cells, and it can be used with one- or two-photon microscopy in live samples. We use PercevalHR to visualize activity-dependent changes in ATP:ADP when neurons are exposed to multiple stimuli, demonstrating that it is a sensitive reporter of physiological changes in energy consumption and production. We also use PercevalHR to visualize intracellular ATP:ADP while simultaneously recording currents from ATP-sensitive potassium (KATP) channels in single cells, showing that PercevalHR enables the study of coordinated variation in ATP:ADP and KATP channel open probability in intact cells. With its ability to monitor changes in cellular energetics within seconds, PercevalHR should be a versatile tool for metabolic research. PMID:24096541

Energetics and dynamics through time-resolved measurements in mass spectrometry

NASA Astrophysics Data System (ADS)

Lifshitz, Chava

Results of recent work on time-resolved photoionization and electron ionization mass spectrometry carried out in Jerusalem are reviewed. Time-resolved photoionization mass spectrometry in the vacuum ultraviolet is applied to polycyclic aromatic hydrocarbons, for example naphthalene, pyrene and fluoranthene as well as to some bromo derivatives (bromonaphthalene and bromoanthracene). Time-resolved photoionization efficiency curves are modelled by Rice-Ramsperger-Kassel-Marcus QET rate-energy k ( E ) dependences of the unimolecular dissociative processes and by the rate process infrared radiative relaxation k . Experimental results are augmented by time-resolved photorad dissociation data for the same species, whenever available. Kinetic shifts, conventional and intrinsic (due to competition between dissociative and radiative decay), are evaluated. Activation parameters (activation energies and entropies) are deduced. Thermochemical information is obtained including bond energies and ionic heats of formation. Fullerenes, notably C , are studied by time-resolved electron ionization and a large intrinsic shift, due to competition with black-bodylike radiative decay in the visible is discussed.

Specifics of the methodological approach to the study of nanoparticle impact on human health in the production of non-metallic nanomaterials for construction purposes

NASA Astrophysics Data System (ADS)

Ayzenshtadt, A. M.; Frolova, M. A.; Makhova, T. A.; Danilov, V. E.; Gupta, Piyush K.; Verma, Rama S.

2018-01-01

Minerals samples of mixed-genesis rocks in a finely dispersed state were obtained and studied, namely sand deposit (Kholmogory district) and basalt (Myandukha deposit, Plesetsk district) in Arkhangelsk region. The paper provides the chemical composition data used to calculate the specific mass atomization energy of rocks. The energy parameters of the micro and nano systems of the rock samples - free surface energy and surface activity - were calculated. For toxicological evaluation of the materials obtained, next-generation sequencing (NGS) was used to perform metagenomic analysis which allowed determining the species diversity of microorganisms in the samples under study. It was shown that the sequencing method and metagenomic analysis are applicable and provide good reproducibility for the analysis of the toxicological properties of selected rock samples. The correlation of the surface activity of finely dispersed rock systems and the species diversity of cultivated microorganisms on the raw material was observed.

Dynamically controlled electromagnetically induced transparency in terahertz graphene metamaterial for modulation and slow light applications

NASA Astrophysics Data System (ADS)

He, Xunjun; Yao, Yuan; Yang, Xingyu; Lu, Guangjun; Yang, Wenlong; Yang, Yuqiang; Wu, Fengmin; Yu, Zhigang; Jiang, Jiuxing

2018-03-01

By patterning two graphene resonators on a SiO2/Si substrate, a dynamically controlled electromagnetically induced transparency (EIT) in the terahertz graphene metamaterial was numerically studied through tuning the structural parameter and Fermi energy of graphene. The calculated surface current distributions demonstrate that the distinct EIT window in the graphene metamaterial results from the near-field coupling of two graphene resonators. Moreover, the EIT window can be actively controlled by tuning Fermi energy combined states of two resonators. When the Fermi energy combined state of two resonators changes from (0.21 and 0.16 eV) to (0.4 and 0.11 eV), the amplitude modulation depth of the EIT peak is 97.8% at 0.45 THz, and the corresponding enhanced factor of group delay with 6 times is obtained. This study offers an alternative tuning method to existing optical, thermal, and relative distance tuning, delivering a promising potential for designing active and miniaturized THz devices.

Kinetic characterization of the deproteinization of trabecular and cortical bovine femur bones.

PubMed

Castro-Ceseña, Ana B; Sánchez-Saavedra, M Pilar; Novitskaya, Ekaterina E; Chen, Po-Yu; Hirata, Gustavo A; McKittrick, Joanna

2013-12-01

The present study proposes an interpretation of the mechanism of bone deproteinization. Cortical and trabecular bovine femur bones were deproteinized using 6% NaOCl (37, 50, 60°C). The kinetic parameters (rate constant and activation energy) were calculated, and the surface area of each type of bone was considered. A statistical analysis of the rate constants shows that cortical bone deproteinizes at a lower rate than trabecular. The activation energy is higher for trabecular than cortical bone, and no significant differences are found in the protein concentration values for both bones. Therefore, although trabecular bone deproteinizes at a higher rate than cortical, trabecular bone requires more energy for the deproteinization reaction to take place. Considering that both types of bones are constituted by mineral, protein, and water; the present work shows that the individual inner matrix architecture of trabecular and cortical bones, along with characteristics such as the mineral concentration and its bonding with collagen fibers, may be the responsible factors that control protein depletion. © 2013.

Optimization of Passive Voltage Multipliers for Fast Start-up and Multi-voltage Power Supplies in Electromagnetic Energy Harvesting Systems

NASA Astrophysics Data System (ADS)

Yang, G.; Stark, B. H.; Burrow, S. G.; Hollis, S. J.

2014-11-01

This paper demonstrates the use of passive voltage multipliers for rapid start-up of sub-milliwatt electromagnetic energy harvesting systems. The work describes circuit optimization to make as short as possible the transition from completely depleted energy storage to the first powering-up of an actively controlled switched-mode converter. The dependency of the start-up time on component parameters and topologies is derived by simulation and experimentation. The resulting optimized multiplier design reduces the start-up time from several minutes to 1 second. An additional improvement uses the inherent cascade structure of the voltage multiplier to power sub-systems at different voltages. This multi-rail start-up is shown to reduce the circuit losses of the active converter by 72% with respect to the optimized single-rail system. The experimental results provide insight into the multiplier's transient behaviour, including circuit interactions, in a complete harvesting system, and offer important information to optimize voltage multipliers for rapid start-up.

Kinetics modelling of color deterioration during thermal processing of tomato paste with the use of response surface methodology

NASA Astrophysics Data System (ADS)

Ganje, Mohammad; Jafari, Seid Mahdi; Farzaneh, Vahid; Malekjani, Narges

2018-06-01

To study the kinetics of color degradation, the tomato paste was designed to be processed at three different temperatures including 60, 70 and 80 °C for 25, 50, 75 and 100 min. a/b ratio, total color difference, saturation index and hue angle were calculated with the use of three main color parameters including L (lightness), a (redness-greenness) and b (yellowness-blueness) values. Kinetics of color degradation was developed by Arrhenius equation and the alterations were modelled with the use of response surface methodology (RSM). It was detected that all of the studied responses followed a first order reaction kinetics with an exception in TCD parameter (zeroth order). TCD and a/b respectively with the highest and lowest activation energy presented the highest sensitivity to the temperature alterations. The maximum and minimum rates of alterations were observed by TCD and b parameters, respectively. It was obviously determined that all of the studied parameters (responses) were affected by the selected independent parameters.

Obstructive sleep apnea and energy balance regulation: A systematic review.

PubMed

Shechter, Ari

2017-08-01

Obesity and obstructive sleep apnea (OSA) have a reciprocal relationship. Sleep disruptions characteristic of OSA may promote behavioral, metabolic, and/or hormonal changes favoring weight gain and/or difficulty losing weight. The regulation of energy balance (EB), i.e., the relationship between energy intake (EI) and energy expenditure (EE), is complex and multi-factorial, involving food intake, hormonal regulation of hunger/satiety/appetite, and EE via metabolism and physical activity (PA). The current systematic review describes the literature on how OSA affects EB-related parameters. OSA is associated with a hormonal profile characterized by abnormally high leptin and ghrelin levels, which may encourage excess EI. Data on actual measures of food intake are lacking, and not sufficient to make conclusions. Resting metabolic rate appears elevated in OSA vs. Findings on PA are inconsistent, but may indicate a negative relationship with OSA severity that is modulated by daytime sleepiness and body weight. A speculative explanation for the positive EB in OSA is that the increased EE via metabolism induces an overcompensation in the drive for hunger/food intake, which is larger in magnitude than the rise in EI required to re-establish EB. Understanding how OSA affects EB-related parameters can help improve weight loss efforts in these patients. Copyright © 2016 Elsevier Ltd. All rights reserved.

Molecular dynamics study of some non-hydrogen-bonding base pair DNA strands

NASA Astrophysics Data System (ADS)

Tiwari, Rakesh K.; Ojha, Rajendra P.; Tiwari, Gargi; Pandey, Vishnudatt; Mall, Vijaysree

2018-05-01

In order to elucidate the structural activity of hydrophobic modified DNA, the DMMO2-D5SICS, base pair is introduced as a constituent in different set of 12-mer and 14-mer DNA sequences for the molecular dynamics (MD) simulation in explicit water solvent. AMBER 14 force field was employed for each set of duplex during the 200ns production-dynamics simulation in orthogonal-box-water solvent by the Particle-Mesh-Ewald (PME) method in infinite periodic boundary conditions (PBC) to determine conformational parameters of the complex. The force-field parameters of modified base-pair were calculated by Gaussian-code using Hartree-Fock /ab-initio methodology. RMSD Results reveal that the conformation of the duplex is sequence dependent and the binding energy of the complex depends on the position of the modified base-pair in the nucleic acid strand. We found that non-bonding energy had a significant contribution to stabilising such type of duplex in comparison to electrostatic energy. The distortion produced within strands by such type of base-pair was local and destabilised the duplex integrity near to substitution, moreover the binding energy of duplex depends on the position of substitution of hydrophobic base-pair and the DNA sequence and strongly supports the corresponding experimental study.

Data-driven Techniques to Estimate Parameters in the Homogenized Energy Model for Shape Memory Alloys

DTIC Science & Technology

2011-11-01

sensor. volume 79781K. Proceedings of the SPIE 7978, 2011. [9] D.J. Hartl , D.C. Lagoudas, F.T. Calkins, and J.H. Mabe . Use of a ni60ti shape memory...alloy for active jet engine chevron application: I. thermomechanical characterization. Smart Materials and Structures, 19:1–14, 2010. [10] D.J. Hartl ...D.C. Lagoudas, F.T. Calkins, and J.H. Mabe . Use of a ni60ti shape memory alloy for active jet engine chevron application: II. experimentally validated

Coulomb-Gas scaling law for a superconducting Bi(2+y)Sr(2-x-y)La(x)CuO(6+delta) thin films in magnetic fields

PubMed

Zhang; Deltour; Zhao

2000-10-16

The electrical transport properties of epitaxial superconducting Bi(2+y)Sr(2-x-y)La(x)CuO(6+delta) thin films have been studied in magnetic fields. Using a modified Coulomb-gas scaling law, we can fit all the magnetic field dependent low resistance data with a universal scaling curve, which allows us to determine a relation between the activation energy of the thermally activated flux flow resistance and the characteristic temperature scaling parameters.

Energy performance of areas for urban development (Arkhangelsk is given as example)

NASA Astrophysics Data System (ADS)

Popova, Olga; Glebova, Yulia

2017-01-01

The present research provides an overview and analysis of the legal framework and the technology to increase energy save and energy efficiency. The challenges of the mentioned activities implementation in urban areas are revealed in the paper. A comparison was made of the principal methods of increasing energy efficiency that is based on payback period. The basic shortcomings of the methods used are found. The way of capital reproducing assets acquisition is proposed with consideration of the rate of wear and tear and upgrading of urban residential development. The present research aims at characterizing energy sustainability of urban areas for forming the information basis that identifies capital construction projects together within the urban area. A new concept - area energy sustainability is introduced in the study to use system-structural approach to energy saving and energy efficiency. Energy sustainability of the area as an integral indicator of the static characteristics of the territory is considered as a complex involving the following terms: energy security, energy intensity and energy efficiency dynamic indicators of all the components of the power system of the area. Dimensions and parameters of energy sustainability of the area are determined. Arkhangelsk is given as example.

Parametric and working fluid analysis of a combined organic Rankine-vapor compression refrigeration system activated by low-grade thermal energy.

PubMed

Saleh, B

2016-09-01

The potential use of many common hydrofluorocarbons and hydrocarbons as well as new hydrofluoroolefins, i.e. R1234yf and R1234ze(E) working fluids for a combined organic Rankine cycle and vapor compression refrigeration (ORC-VCR) system activated by low-grade thermal energy is evaluated. The basic ORC operates between 80 and 40 °C typical for low-grade thermal energy power plants while the basic VCR cycle operates between 5 and 40 °C. The system performance is characterized by the overall system coefficient of performance (COPS) and the total mass flow rate of the working fluid for each kW cooling capacity ([Formula: see text]). The effects of different working parameters such as the evaporator, condenser, and boiler temperatures on the system performance are examined. The results illustrate that the maximum COPS values are attained using the highest boiling candidates with overhanging T-s diagram, i.e. R245fa and R600, while R600 has the lowest [Formula: see text] under the considered operating conditions. Among the proposed candidates, R600 is the best candidate for the ORC-VCR system from the perspectives of environmental issues and system performance. Nevertheless, its flammability should attract enough attention. The maximum COPS using R600 is found to reach up to 0.718 at a condenser temperature of 30 °C and the basic values for the remaining parameters.

Holographic dark energy in higher derivative gravity with time varying model parameter c2

NASA Astrophysics Data System (ADS)

Borah, B.; Ansari, M.

2015-01-01

Purpose of this paper is to study holographic dark energy in higher derivative gravity assuming the model parameter c2 as a slowly time varying function. Since dark energy emerges as combined effect of linear as well as non-linear terms of curvature, therefore it is important to see holographic dark energy at higher derivative gravity, where action contains both linear as well as non-linear terms of Ricci curvature R. We consider non-interacting scenario of the holographic dark energy with dark matter in spatially flat universe and obtain evolution of the equation of state parameter. Also, we determine deceleration parameter as well as the evolution of dark energy density to explain expansion of the universe. Further, we investigate validity of generalized second law of thermodynamics in this scenario. Finally, we find out a cosmological application of our work by evaluating a relation for the equation of state of holographic dark energy for low red-shifts containing c2 correction.

Body Segment Kinematics and Energy Expenditure in Active Videogames.

PubMed

Böhm, Birgit; Hartmann, Michael; Böhm, Harald

2016-06-01

Energy expenditure (EE) in active videogames (AVGs) is a component for assessing its benefit for cardiovascular health. Existing evidence suggests that AVGs are able to increase EE above rest and when compared with playing passive videogames. However, the association between body movement and EE remains unclear. Furthermore, for goal-directed game design, it is important to know the contribution of body segments to EE. This knowledge will help to acquire a certain level of exercise intensity during active gaming. Therefore, the purpose of this study was to determine the best predictors of EE from body segment energies, acceleration, and heart rate during different game situations. EE and body segment movement of 17 subjects, aged 22.1 ± 2.5 years, were measured in two different AVGs. In randomized order, the subjects played a handheld-controlled Nintendo(®) Wii™ tennis (NWT) game and a whole body-controlled Sony EyeToy(®) waterfall (ETW) game. Body segment movement was analyzed using a three-dimensional motion capture system. From the video data, mean values of mechanical energy change and acceleration of 10 body segments were analyzed. Measured EE was significantly higher in ETW (7.8 ± 1.4 metabolic equivalents [METs]) than in NWT (3.4 ± 1.0 METs). The best prediction parameter for the more intense ETW game was the energy change of the right thigh and for the less intense hand-controlled NWT game was the energy change of the upper torso. Segment acceleration was less accurate in predicting EE. The best predictors of metabolic EE were the thighs and the upper torso in whole body and handheld-controlled games, respectively. Increasing movement of these body segments would lead to higher physical activity intensity during gaming, reducing sedentary behavior.

A chemo-mechanical free-energy-based approach to model durotaxis and extracellular stiffness-dependent contraction and polarization of cells.

PubMed

Shenoy, Vivek B; Wang, Hailong; Wang, Xiao

2016-02-06

We propose a chemo-mechanical model based on stress-dependent recruitment of myosin motors to describe how the contractility, polarization and strain in cells vary with the stiffness of their surroundings and their shape. A contractility tensor, which depends on the distribution of myosin motors, is introduced to describe the chemical free energy of the cell due to myosin recruitment. We explicitly include the contributions to the free energy that arise from mechanosensitive signalling pathways (such as the SFX, Rho-Rock and MLCK pathways) through chemo-mechanical coupling parameters. Taking the variations of the total free energy, which consists of the chemical and mechanical components, in accordance with the second law of thermodynamics provides equations for the temporal evolution of the active stress and the contractility tensor. Following this approach, we are able to recover the well-known Hill relation for active stresses, based on the fundamental principles of irreversible thermodynamics rather than phenomenology. We have numerically implemented our free energy-based approach to model spatial distribution of strain and contractility in (i) cells supported by flexible microposts, (ii) cells on two-dimensional substrates, and (iii) cells in three-dimensional matrices. We demonstrate how the polarization of the cells and the orientation of stress fibres can be deduced from the eigenvalues and eigenvectors of the contractility tensor. Our calculations suggest that the chemical free energy of the cell decreases with the stiffness of the extracellular environment as the cytoskeleton polarizes in response to stress-dependent recruitment of molecular motors. The mechanical energy, which includes the strain energy and motor potential energy, however, increases with stiffness, but the overall energy is lower for cells in stiffer environments. This provides a thermodynamic basis for durotaxis, whereby cells preferentially migrate towards stiffer regions of the extracellular environment. Our models also explain, from an energetic perspective, why the shape of the cells can change in response to stiffness of the surroundings. The effect of the stiffness of the nucleus on its shape and the orientation of the stress fibres is also studied for all the above geometries. Along with making testable predictions, we have estimated the magnitudes of the chemo-mechanical coupling parameters for myofibroblasts based on data reported in the literature.

A chemo-mechanical free-energy-based approach to model durotaxis and extracellular stiffness-dependent contraction and polarization of cells

PubMed Central

Shenoy, Vivek B.; Wang, Hailong; Wang, Xiao

2016-01-01

We propose a chemo-mechanical model based on stress-dependent recruitment of myosin motors to describe how the contractility, polarization and strain in cells vary with the stiffness of their surroundings and their shape. A contractility tensor, which depends on the distribution of myosin motors, is introduced to describe the chemical free energy of the cell due to myosin recruitment. We explicitly include the contributions to the free energy that arise from mechanosensitive signalling pathways (such as the SFX, Rho-Rock and MLCK pathways) through chemo-mechanical coupling parameters. Taking the variations of the total free energy, which consists of the chemical and mechanical components, in accordance with the second law of thermodynamics provides equations for the temporal evolution of the active stress and the contractility tensor. Following this approach, we are able to recover the well-known Hill relation for active stresses, based on the fundamental principles of irreversible thermodynamics rather than phenomenology. We have numerically implemented our free energy-based approach to model spatial distribution of strain and contractility in (i) cells supported by flexible microposts, (ii) cells on two-dimensional substrates, and (iii) cells in three-dimensional matrices. We demonstrate how the polarization of the cells and the orientation of stress fibres can be deduced from the eigenvalues and eigenvectors of the contractility tensor. Our calculations suggest that the chemical free energy of the cell decreases with the stiffness of the extracellular environment as the cytoskeleton polarizes in response to stress-dependent recruitment of molecular motors. The mechanical energy, which includes the strain energy and motor potential energy, however, increases with stiffness, but the overall energy is lower for cells in stiffer environments. This provides a thermodynamic basis for durotaxis, whereby cells preferentially migrate towards stiffer regions of the extracellular environment. Our models also explain, from an energetic perspective, why the shape of the cells can change in response to stiffness of the surroundings. The effect of the stiffness of the nucleus on its shape and the orientation of the stress fibres is also studied for all the above geometries. Along with making testable predictions, we have estimated the magnitudes of the chemo-mechanical coupling parameters for myofibroblasts based on data reported in the literature. PMID:26855753

SiC MOSFET Based Single Phase Active Boost Rectifier with Power Factor Correction for Wireless Power Transfer Applications

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

Onar, Omer C; Tang, Lixin; Chinthavali, Madhu Sudhan

2014-01-01

Wireless Power Transfer (WPT) technology is a novel research area in the charging technology that bridges the utility and the automotive industries. There are various solutions that are currently being evaluated by several research teams to find the most efficient way to manage the power flow from the grid to the vehicle energy storage system. There are different control parameters that can be utilized to compensate for the change in the impedance due to variable parameters such as battery state-of-charge, coupling factor, and coil misalignment. This paper presents the implementation of an active front-end rectifier on the grid side formore » power factor control and voltage boost capability for load power regulation. The proposed SiC MOSFET based single phase active front end rectifier with PFC resulted in >97% efficiency at 137mm air-gap and >95% efficiency at 160mm air-gap.« less

Polymerase/DNA interactions and enzymatic activity: multi-parameter analysis with electro-switchable biosurfaces

NASA Astrophysics Data System (ADS)

Langer, Andreas; Schräml, Michael; Strasser, Ralf; Daub, Herwin; Myers, Thomas; Heindl, Dieter; Rant, Ulrich

2015-07-01

The engineering of high-performance enzymes for future sequencing and PCR technologies as well as the development of many anticancer drugs requires a detailed analysis of DNA/RNA synthesis processes. However, due to the complex molecular interplay involved, real-time methodologies have not been available to obtain comprehensive information on both binding parameters and enzymatic activities. Here we introduce a chip-based method to investigate polymerases and their interactions with nucleic acids, which employs an electrical actuation of DNA templates on microelectrodes. Two measurement modes track both the dynamics of the induced switching process and the DNA extension simultaneously to quantitate binding kinetics, dissociation constants and thermodynamic energies. The high sensitivity of the method reveals previously unidentified tight binding states for Taq and Pol I (KF) DNA polymerases. Furthermore, the incorporation of label-free nucleotides can be followed in real-time and changes in the DNA polymerase conformation (finger closing) during enzymatic activity are observable.

Figures of merit for present and future dark energy probes

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

Mortonson, Michael J.; Huterer, Dragan; Hu, Wayne

2010-09-15

We compare current and forecasted constraints on dynamical dark energy models from Type Ia supernovae and the cosmic microwave background using figures of merit based on the volume of the allowed dark energy parameter space. For a two-parameter dark energy equation of state that varies linearly with the scale factor, and assuming a flat universe, the area of the error ellipse can be reduced by a factor of {approx}10 relative to current constraints by future space-based supernova data and CMB measurements from the Planck satellite. If the dark energy equation of state is described by a more general basis ofmore » principal components, the expected improvement in volume-based figures of merit is much greater. While the forecasted precision for any single parameter is only a factor of 2-5 smaller than current uncertainties, the constraints on dark energy models bounded by -1{<=}w{<=}1 improve for approximately 6 independent dark energy parameters resulting in a reduction of the total allowed volume of principal component parameter space by a factor of {approx}100. Typical quintessence models can be adequately described by just 2-3 of these parameters even given the precision of future data, leading to a more modest but still significant improvement. In addition to advances in supernova and CMB data, percent-level measurement of absolute distance and/or the expansion rate is required to ensure that dark energy constraints remain robust to variations in spatial curvature.« less

Activation of Peptide ions by blackbody radiation: factors that lead to dissociation kinetics in the rapid energy exchange limit.

PubMed

Price, W D; Williams, E R

1997-11-20

Unimolecular rate constants for blackbody infrared radiative dissociation (BIRD) were calculated for the model protonated peptide (AlaGly)(n) (n = 2-32) using a variety of dissociation parameters. Combinations of dissociation threshold energies ranging from 0.8 to 1.7 eV and transition entropies corresponding to Arrhenius preexponential factors ranging from very "tight" (A(infinity) = 10(9.9) s(-1)) to "loose" (A(infinity) = 10(16.8) s(-1)) were selected to represent dissociation parameters within the experimental temperature range (300-520 K) and kinetic window (k(uni) = 0.001-0.20 s(-1)) typically used in the BIRD experiment. Arrhenius parameters were determined from the temperature dependence of these values and compared to those in the rapid energy exchange (REX) limit. In this limit, the internal energy of a population of ions is given by a Boltzmann distribution, and kinetics are the same as those in the traditional high-pressure limit. For a dissociation process to be in this limit, the rate of photon exchange between an ion and the vacuum chamber walls must be significantly greater than the dissociation rate. Kinetics rapidly approach the REX limit either as the molecular size or threshold dissociation energy increases or as the transition-state entropy or experimental temperature decreases. Under typical experimental conditions, peptide ions larger than 1.6 kDa should be in the REX limit. Smaller ions may also be in the REX limit depending on the value of the threshold dissociation energy and transition-state entropy. Either modeling or information about the dissociation mechanism must be known in order to confirm REX limit kinetics for these smaller ions. Three principal factors that lead to the size dependence of REX limit kinetics are identified. With increasing molecular size, rates of radiative absorption and emission increase, internal energy distributions become relatively narrower, and the microcanonical dissociation rate constants increase more slowly over the energy distribution of ions. Guidelines established here should make BIRD an even more reliable method to obtain information about dissociation energetics and mechanisms for intermediate size molecules.

Activation of Peptide Ions by Blackbody Radiation: Factors That Lead to Dissociation Kinetics in the Rapid Energy Exchange Limit

PubMed Central

Price, William D.

2005-01-01

Unimolecular rate constants for blackbody infrared radiative dissociation (BIRD) were calculated for the model protonated peptide (AlaGly)n (n = 2–32) using a variety of dissociation parameters. Combinations of dissociation threshold energies ranging from 0.8 to 1.7 eV and transition entropies corresponding to Arrhenius preexponential factors ranging from very “tight” (A∞ = 109.9 s−1) to “loose” (A∞ = 1016.8 s−1) were selected to represent dissociation parameters within the experimental temperature range (300–520 K) and kinetic window (kuni = 0.001–0.20 s−1) typically used in the BIRD experiment. Arrhenius parameters were determined from the temperature dependence of these values and compared to those in the rapid energy exchange (REX) limit. In this limit, the internal energy of a population of ions is given by a Boltzmann distribution, and kinetics are the same as those in the traditional high-pressure limit. For a dissociation process to be in this limit, the rate of photon exchange between an ion and the vacuum chamber walls must be significantly greater than the dissociation rate. Kinetics rapidly approach the REX limit either as the molecular size or threshold dissociation energy increases or as the transition-state entropy or experimental temperature decreases. Under typical experimental conditions, peptide ions larger than 1.6 kDa should be in the REX limit. Smaller ions may also be in the REX limit depending on the value of the threshold dissociation energy and transition-state entropy. Either modeling or information about the dissociation mechanism must be known in order to confirm REX limit kinetics for these smaller ions. Three principal factors that lead to the size dependence of REX limit kinetics are identified. With increasing molecular size, rates of radiative absorption and emission increase, internal energy distributions become relatively narrower, and the microcanonical dissociation rate constants increase more slowly over the energy distribution of ions. Guidelines established here should make BIRD an even more reliable method to obtain information about dissociation energetics and mechanisms for intermediate size molecules. PMID:16604162

Nutrition Status of Young Elite Female German Football Players.

PubMed

Braun, Hans; von Andrian-Werburg, Judith; Schänzer, Wilhelm; Thevis, Mario

2018-02-01

To investigate energy intake, energy expenditure, and the nutritional status of young female elite football players using 7-day food and activity records and blood parameters. A total of 56 female elite football players [14.8 (0.7) y] completed the requested food and activity protocols. Misreporting was assessed by the ratio of energy intake to energy expenditure. The food records were analyzed concerning energy and macronutrient and micronutrient intakes, and energy expenditure was calculated using predictive equations. Hematological data and 25-hydroxyvitamin D serum concentrations were determined. Mean energy intake was 2262 (368) kcal/d [40.5 (7.0) kcal/kg/d] and estimated EE averaged 2403 (195) kcal/d. Fifty-three percent of the players exhibited an energy availability <30 kcal/kg lean body mass; 31% of the athletes consumed <5 g/kg carbohydrates and 34% consumed <1.2 g/kg proteins. A large proportion of players (%) had intakes below the recommended daily allowance of folate (75%), vitamin D (100%), iron (69%), and calcium (59%). Ferritin and 25-hydroxyvitamin D serum levels were below the recommendations of 59% and 38%, respectively. A remarkable number of players failed to meet the energy balance and the recommended carbohydrate and protein intakes. Low iron and 25-hydroxyvitamin D serum levels were observed showing a suboptimal nutrition status of some young female football players. As a consequence, strategies have to be developed for a better information and application of sport nutrition practice among young female football players.

Constraints on Ultrahigh-Energy Cosmic-Ray Sources from a Search for Neutrinos above 10 PeV with IceCube

NASA Astrophysics Data System (ADS)

Aartsen, M. G.; Abraham, K.; Ackermann, M.; Adams, J.; Aguilar, J. A.; Ahlers, M.; Ahrens, M.; Altmann, D.; Andeen, K.; Anderson, T.; Ansseau, I.; Anton, G.; Archinger, M.; Argüelles, C.; Auffenberg, J.; Axani, S.; Bai, X.; Barwick, S. W.; Baum, V.; Bay, R.; Beatty, J. J.; Becker Tjus, J.; Becker, K.-H.; BenZvi, S.; Berghaus, P.; Berley, D.; Bernardini, E.; Bernhard, A.; Besson, D. Z.; Binder, G.; Bindig, D.; Bissok, M.; Blaufuss, E.; Blot, S.; Bohm, C.; Börner, M.; Bos, F.; Bose, D.; Böser, S.; Botner, O.; Braun, J.; Brayeur, L.; Bretz, H.-P.; Burgman, A.; Carver, T.; Casier, M.; Cheung, E.; Chirkin, D.; Christov, A.; Clark, K.; Classen, L.; Coenders, S.; Collin, G. H.; Conrad, J. M.; Cowen, D. F.; Cross, R.; Day, M.; de André, J. P. A. M.; De Clercq, C.; del Pino Rosendo, E.; Dembinski, H.; De Ridder, S.; Desiati, P.; de Vries, K. D.; de Wasseige, G.; de With, M.; DeYoung, T.; Díaz-Vélez, J. C.; di Lorenzo, V.; Dujmovic, H.; Dumm, J. P.; Dunkman, M.; Eberhardt, B.; Ehrhardt, T.; Eichmann, B.; Eller, P.; Euler, S.; Evenson, P. A.; Fahey, S.; Fazely, A. R.; Feintzeig, J.; Felde, J.; Filimonov, K.; Finley, C.; Flis, S.; Fösig, C.-C.; Franckowiak, A.; Friedman, E.; Fuchs, T.; Gaisser, T. K.; Gallagher, J.; Gerhardt, L.; Ghorbani, K.; Giang, W.; Gladstone, L.; Glagla, M.; Glüsenkamp, T.; Goldschmidt, A.; Golup, G.; Gonzalez, J. G.; Grant, D.; Griffith, Z.; Haack, C.; Haj Ismail, A.; Hallgren, A.; Halzen, F.; Hansen, E.; Hansmann, B.; Hansmann, T.; Hanson, K.; Hebecker, D.; Heereman, D.; Helbing, K.; Hellauer, R.; Hickford, S.; Hignight, J.; Hill, G. C.; Hoffman, K. D.; Hoffmann, R.; Holzapfel, K.; Hoshina, K.; Huang, F.; Huber, M.; Hultqvist, K.; In, S.; Ishihara, A.; Jacobi, E.; Japaridze, G. S.; Jeong, M.; Jero, K.; Jones, B. J. P.; Jurkovic, M.; Kappes, A.; Karg, T.; Karle, A.; Katz, U.; Kauer, M.; Keivani, A.; Kelley, J. L.; Kemp, J.; Kheirandish, A.; Kim, M.; Kintscher, T.; Kiryluk, J.; Kittler, T.; Klein, S. R.; Kohnen, G.; Koirala, R.; Kolanoski, H.; Konietz, R.; Köpke, L.; Kopper, C.; Kopper, S.; Koskinen, D. J.; Kowalski, M.; Krings, K.; Kroll, M.; Krückl, G.; Krüger, C.; Kunnen, J.; Kunwar, S.; Kurahashi, N.; Kuwabara, T.; Labare, M.; Lanfranchi, J. L.; Larson, M. J.; Lauber, F.; Lennarz, D.; Lesiak-Bzdak, M.; Leuermann, M.; Leuner, J.; Lu, L.; Lünemann, J.; Madsen, J.; Maggi, G.; Mahn, K. B. M.; Mancina, S.; Mandelartz, M.; Maruyama, R.; Mase, K.; Maunu, R.; McNally, F.; Meagher, K.; Medici, M.; Meier, M.; Meli, A.; Menne, T.; Merino, G.; Meures, T.; Miarecki, S.; Mohrmann, L.; Montaruli, T.; Moulai, M.; Nahnhauer, R.; Naumann, U.; Neer, G.; Niederhausen, H.; Nowicki, S. C.; Nygren, D. R.; Obertacke Pollmann, A.; Olivas, A.; O'Murchadha, A.; Palczewski, T.; Pandya, H.; Pankova, D. V.; Penek, Ö.; Pepper, J. A.; Pérez de los Heros, C.; Pieloth, D.; Pinat, E.; Price, P. B.; Przybylski, G. T.; Quinnan, M.; Raab, C.; Rädel, L.; Rameez, M.; Rawlins, K.; Reimann, R.; Relethford, B.; Relich, M.; Resconi, E.; Rhode, W.; Richman, M.; Riedel, B.; Robertson, S.; Rongen, M.; Rott, C.; Ruhe, T.; Ryckbosch, D.; Rysewyk, D.; Sabbatini, L.; Sanchez Herrera, S. E.; Sandrock, A.; Sandroos, J.; Sarkar, S.; Satalecka, K.; Schimp, M.; Schlunder, P.; Schmidt, T.; Schoenen, S.; Schöneberg, S.; Schumacher, L.; Seckel, D.; Seunarine, S.; Soldin, D.; Song, M.; Spiczak, G. M.; Spiering, C.; Stahlberg, M.; Stanev, T.; Stasik, A.; Steuer, A.; Stezelberger, T.; Stokstad, R. G.; Stößl, A.; Ström, R.; Strotjohann, N. L.; Sullivan, G. W.; Sutherland, M.; Taavola, H.; Taboada, I.; Tatar, J.; Tenholt, F.; Ter-Antonyan, S.; Terliuk, A.; Tešić, G.; Tilav, S.; Toale, P. A.; Tobin, M. N.; Toscano, S.; Tosi, D.; Tselengidou, M.; Turcati, A.; Unger, E.; Usner, M.; Vandenbroucke, J.; van Eijndhoven, N.; Vanheule, S.; van Rossem, M.; van Santen, J.; Veenkamp, J.; Vehring, M.; Voge, M.; Vraeghe, M.; Walck, C.; Wallace, A.; Wallraff, M.; Wandkowsky, N.; Weaver, Ch.; Weiss, M. J.; Wendt, C.; Westerhoff, S.; Whelan, B. J.; Wickmann, S.; Wiebe, K.; Wiebusch, C. H.; Wille, L.; Williams, D. R.; Wills, L.; Wolf, M.; Wood, T. R.; Woolsey, E.; Woschnagg, K.; Xu, D. L.; Xu, X. W.; Xu, Y.; Yanez, J. P.; Yodh, G.; Yoshida, S.; Zoll, M.; IceCube Collaboration

2016-12-01

We report constraints on the sources of ultrahigh-energy cosmic rays (UHECRs) above 1 09 GeV , based on an analysis of seven years of IceCube data. This analysis efficiently selects very high- energy neutrino-induced events which have deposited energies from 5 ×1 05 GeV to above 1 011 GeV . Two neutrino-induced events with an estimated deposited energy of (2.6 ±0.3 )×1 06 GeV , the highest neutrino energy observed so far, and (7.7 ±2.0 )×1 05 GeV were detected. The atmospheric background-only hypothesis of detecting these events is rejected at 3.6 σ . The hypothesis that the observed events are of cosmogenic origin is also rejected at >99 % CL because of the limited deposited energy and the nonobservation of events at higher energy, while their observation is consistent with an astrophysical origin. Our limits on cosmogenic neutrino fluxes disfavor the UHECR sources having a cosmological evolution stronger than the star formation rate, e.g., active galactic nuclei and γ -ray bursts, assuming proton-dominated UHECRs. Constraints on UHECR sources including mixed and heavy UHECR compositions are obtained for models of neutrino production within UHECR sources. Our limit disfavors a significant part of parameter space for active galactic nuclei and new-born pulsar models. These limits on the ultrahigh-energy neutrino flux models are the most stringent to date.

Effect of anapanasati meditation technique through electrophotonic imaging parameters: A pilot study.

PubMed

Deo, Guru; Itagi R, Kumar; Thaiyar M, Srinivasan; Kuldeep, Kushwah K

2015-01-01

Mindfulness along with breathing is a well-established meditation technique. Breathing is an exquisite tool for exploring subtle awareness of mind and life itself. This study aimed at measuring changes in the different parameters of electrophotonic imaging (EPI) in anapanasati meditators. To carry out this study, 51 subjects comprising 32 males and 19 females of age 18 years and above (mean age 45.64 ± 14.43) were recruited voluntarily with informed consent attending Karnataka Dhyana Mahachakra-1 at Pyramid Valley International, Bengaluru, India. The design was a single group pre- post and data collected by EPI device before and after 5 days of intensive meditation. Results show significant changes in EPI parameter integral area with filter (physiological) in both right and left side, which reflects the availability of high functional energy reserve in meditators. The researchers observed similar trends without filter (psycho-physiological) indicating high reserves of energy at psycho-physiological level also. Activation coefficient, another parameter of EPI, reduced showing more relaxed state than earlier, possibly due to parasympathetic dominance. Integral entropy decreased in the case of psycho-physiological parameters left-side without filter, which indicates less disorder after meditation, but these changes were not significant. The study showed a reversed change in integral entropy in the right side without filter; however, the values on both sides with filter increased, which indicates disorder. The study suggests that EPI can be used in the recording functional physiological and psychophysiological status of meditators at a subtle level.

Volume-energy parameters for heat transfer to supercritical fluids

NASA Technical Reports Server (NTRS)

Kumakawa, A.; Niino, M.; Hendricks, R. C.; Giarratano, P. J.; Arp, V. D.

1986-01-01

Reduced Nusselt numbers of supercritical fluids from different sources were grouped by several volume-energy parameters. A modified bulk expansion parameter was introduced based on a comparative analysis of data scatter. Heat transfer experiments on liquefied methane were conducted under near-critical conditions in order to confirm the usefulness of the parameters. It was experimentally revealed that heat transfer characteristics of near-critical methane are similar to those of hydrogen. It was shown that the modified bulk expansion parameter and the Gibbs-energy parameter grouped the heat transfer data of hydrogen, oxygen and methane including the present data on near-critical methane. It was also indicated that the effects of surface roughness on heat transfer were very important in grouping the data of high Reynolds numbers.

Modeling of energy buildup for a flare-productive region

NASA Technical Reports Server (NTRS)

Wu, S. T.; Krall, K. R.; Hu, Y. Q.; Hagyard, M. J.; Smith, J. B., Jr.

1984-01-01

A self-consistent MHD model of shearing magnetic loops is used to investigate magnetic energy buildup in active region AR 2372 (Boulder number), in the period of April 5-7, 1980. The magnetic field and sunspot motions in this region, derived using observational data obtained by the Marshall Space Flight Center Solar Observatory, suggest the initial boundary conditions for the model. It is found that the plasma parameters (i.e., density, temperature, and plasma flow velocity) do not change appreciably during the process of energy buildup as the magnetic loops are sheared. Thus, almost all of the added energy is stored in the magnetic field. Furthermore, it is shown that dynamical processes are not important during a slow buildup (i.e., for a shearing velocity less than 1 km/s). Finally, it is concluded that the amount of magnetic energy stored and the location of this stored magnetic energy depend on the initial magnetic field (whether potential or sheared) and the magnitude of the shearing motion.

Marcus Bell-Shaped Electron Transfer Kinetics Observed in an Arrhenius Plot.

PubMed

Waskasi, Morteza M; Kodis, Gerdenis; Moore, Ana L; Moore, Thomas A; Gust, Devens; Matyushov, Dmitry V

2016-07-27

The Marcus theory of electron transfer predicts a bell-shaped dependence of the reaction rate on the reaction free energy. The top of the "inverted parabola" corresponds to zero activation barrier when the electron-transfer reorganization energy and the reaction free energy add up to zero. Although this point has traditionally been reached by altering the chemical structures of donors and acceptors, the theory suggests that it can also be reached by varying other parameters of the system including temperature. We find here dramatic evidence of this phenomenon from experiments on a fullerene-porphyrin dyad. Following photoinduced electron transfer, the rate of charge recombination shows a bell-shaped dependence on the inverse temperature, first increasing with cooling and then decreasing at still lower temperatures. This non-Arrhenius rate law is a result of a strong, approximately hyperbolic temperature variation of the reorganization energy and the reaction free energy. Our results provide potentially the cleanest confirmation of the Marcus energy gap law so far since no modification of the chemical structure is involved.

SSE Data and Information Page

Atmospheric Science Data Center

2018-04-04

Surface meteorology and Solar Energy (SSE) Data and Information A new POWER home page ... The Release 6.0 Surface meteorology and Solar Energy (SSE) data set contains parameters formulated for assessing and designing renewable energy systems. This latest release contains new parameters based on ...

A Handbook of Sound and Vibration Parameters

DTIC Science & Technology

1978-09-18

fixed in space. (Reference 1.) no motion atay node Static Divergence: (See Divergence.) Statistical Energy Analysis (SEA): Statistical energy analysis is...parameters of the circuits come from statistics of the vibrational characteristics of the structure. Statistical energy analysis is uniquely successful

Comparative analysis of the bioenergetics of adult cardiomyocytes and nonbeating HL-1 cells: respiratory chain activities, glycolytic enzyme profiles, and metabolic fluxes.

PubMed

Monge, Claire; Beraud, Nathalie; Tepp, Kersti; Pelloux, Sophie; Chahboun, Siham; Kaambre, Tuuli; Kadaja, Lumme; Roosimaa, Mart; Piirsoo, Andres; Tourneur, Yves; Kuznetsov, Andrey V; Saks, Valdur; Seppet, Enn

2009-04-01

Comparative analysis of the bioenergetic parameters of adult rat cardiomyocytes (CM) and HL-1 cells with very different structure but similar cardiac phenotype was carried out with the aim of revealing the importance of the cell structure for regulation of its energy fluxes. Confocal microscopic analysis showed very different mitochondrial arrangement in these cells. The cytochrome content per milligram of cell protein was decreased in HL-1 cells by a factor of 7 compared with CM. In parallel, the respiratory chain complex activities were decreased by 4-8 times in the HL-1 cells. On the contrary, the activities of glycolytic enzymes, hexokinase (HK), and pyruvate kinase (PK) were increased in HL-1 cells, and these cells effectively transformed glucose into lactate. At the same time, the creatine kinase (CK) activity was significantly decreased in HL-1 cells. In conclusion, the results of this study comply with the assumption that in contrast to CM in which oxidative phosphorylation is a predominant provider of ATP and the CK system is a main carrier of energy from mitochondria to ATPases, in HL-1 cells the energy metabolism is based mostly on the glycolytic reactions coupled to oxidative phosphorylation through HK.

Characteristics of unstable resonators in flashlamp-pumped organic-compound lasers

NASA Astrophysics Data System (ADS)

Alekseyev, V. A.; Trinchuk, B. F.; Shulenin, A. V.

1985-01-01

A symmetrical confocal resonator formed by two blind convex mirrors was investigated. The space energy characteristics of radiation from a laser with an unstable resonator were investigated as a function of the specific pumping energy per cubic centimeter of active medium and the magnification of the resonator. Oscillograms of laser pulses were recorded in different cross sections of the laser beam, as were the lasing field patterns at various distances from the exit mirror of the resonator. The maximum spectral wavelengths of flat and unstable resonators were tabulated. It was found that the proper choice of parameters of an unstable resonator reduces laser beam divergence significantly and provides greater axial brightness of radiation than that provided by a flat resonator, even with a highly nonhomogeneous active medium, making it possible to extend the capabilities of flashlamp pumped organic compound lasers.

Modeling of the devolatilization kinetics during pyrolysis of grape residues.

PubMed

Fiori, Luca; Valbusa, Michele; Lorenzi, Denis; Fambri, Luca

2012-01-01

Thermo-gravimetric analysis (TGA) was performed on grape seeds, skins, stalks, marc, vine-branches, grape seed oil and grape seeds depleted of their oil. The TGA data was modeled through Gaussian, logistic and Miura-Maki distributed activation energy models (DAEMs) and a simpler two-parameter model. All DAEMs allowed an accurate prediction of the TGA data; however, the Miura-Maki model could not account for the complete range of conversion for some substrates, while the Gaussian and logistic DAEMs suffered from the interrelation between the pre-exponential factor k0 and the mean activation energy E0--an obstacle that can be overcome by fixing the value of k0 a priori. The results confirmed the capabilities of DAEMs but also highlighted some drawbacks in their application to certain thermodegradation experimental data. Copyright © 2011 Elsevier Ltd. All rights reserved.

Experimental Study of Thermophysical Properties of Peat Fuel

NASA Astrophysics Data System (ADS)

Mikhailov, A. S.; Piralishvili, Sh. A.; Stepanov, E. G.; Spesivtseva, N. S.

2017-03-01

A study has been made of thermophysical properties of peat pellets of higher-than-average reactivity due to the pretreatment of the raw material. A synchronous differential analysis of the produced pellets was performed to determine the gaseous products of their decomposition by the mass-spectroscopy method. The parameters of the mass loss rate, the heat-release function, the activation energy, the rate constant of the combustion reaction, and the volatile yield were compared to the properties of pellets compressed by the traditional method on a matrix pelletizer. It has been determined that as a result of the peat pretreatment, the yield of volatile components increases and the activation energy of the combustion reaction decreases by 17 and 30% respectively compared with the raw fuel. This determines its prospects for burning in an atomized state at coal-fired thermal electric power plants.

A theoretical model of grain boundary self-diffusion in metals with phase transitions (case study into titanium and zirconium)

NASA Astrophysics Data System (ADS)

Semenycheva, Alexandra V.; Chuvil'deev, Vladimir N.; Nokhrin, Aleksey V.

2018-05-01

The paper offers a model describing the process of grain boundary self-diffusion in metals with phase transitions in the solid state. The model is based on ideas and approaches found in the theory of non-equilibrium grain boundaries. The range of application of basic relations contained in this theory is shown to expand, as they can be used to calculate the parameters of grain boundary self-diffusion in high-temperature and low-temperature phases of metals with a phase transition. The model constructed is used to calculate grain boundary self-diffusion activation energy in titanium and zirconium and an explanation is provided as to their abnormally low values in the low-temperature phase. The values of grain boundary self-diffusion activation energy are in good agreement with the experiment.

Controlled creation and stability of k π skyrmions on a discrete lattice

NASA Astrophysics Data System (ADS)

Hagemeister, Julian; Siemens, Ansgar; Rózsa, Levente; Vedmedenko, Elena Y.; Wiesendanger, Roland

2018-05-01

We determine sizes and activation energies of k π skyrmions on a discrete lattice using the Landau-Lifshitz-Gilbert equation and the geodesic nudged elastic band method. The employed atomic material parameters are based on the skyrmionic material system Pd/Fe/Ir(111). We find that the critical magnetic fields for collapse of the 2 π skyrmion and 3 π skyrmion are very close to each other and considerably lower than the critical field of the 1 π skyrmion. The activation energy protecting the structures does not strictly decrease with increasing k as it can be larger for the 3 π skyrmion than for the 2 π skyrmion depending on the applied magnetic field. Furthermore, we propose a method of switching the skyrmion order k by a reversion of the magnetic field direction in samples of finite size.

Symmetry Parameter Constraints from a Lower Bound on Neutron-matter Energy

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

Tews, Ingo; Lattimer, James M.; Ohnishi, Akira

We propose the existence of a lower bound on the energy of pure neutron matter (PNM) on the basis of unitary-gas considerations. We discuss its justification from experimental studies of cold atoms as well as from theoretical studies of neutron matter. We demonstrate that this bound results in limits to the density-dependent symmetry energy, which is the difference between the energies of symmetric nuclear matter and PNM. In particular, this bound leads to a lower limit to the volume symmetry energy parameter S {sub 0}. In addition, for assumed values of S {sub 0} above this minimum, this bound impliesmore » both upper and lower limits to the symmetry energy slope parameter L , which describes the lowest-order density dependence of the symmetry energy. A lower bound on neutron-matter incompressibility is also obtained. These bounds are found to be consistent with both recent calculations of the energies of PNM and constraints from nuclear experiments. Our results are significant because several equations of state that are currently used in astrophysical simulations of supernovae and neutron star mergers, as well as in nuclear physics simulations of heavy-ion collisions, have symmetry energy parameters that violate these bounds. Furthermore, below the nuclear saturation density, the bound on neutron-matter energies leads to a lower limit to the density-dependent symmetry energy, which leads to upper limits to the nuclear surface symmetry parameter and the neutron-star crust–core boundary. We also obtain a lower limit to the neutron-skin thicknesses of neutron-rich nuclei. Above the nuclear saturation density, the bound on neutron-matter energies also leads to an upper limit to the symmetry energy, with implications for neutron-star cooling via the direct Urca process.« less

Symmetry Parameter Constraints from a Lower Bound on Neutron-matter Energy

NASA Astrophysics Data System (ADS)

Tews, Ingo; Lattimer, James M.; Ohnishi, Akira; Kolomeitsev, Evgeni E.

2017-10-01

We propose the existence of a lower bound on the energy of pure neutron matter (PNM) on the basis of unitary-gas considerations. We discuss its justification from experimental studies of cold atoms as well as from theoretical studies of neutron matter. We demonstrate that this bound results in limits to the density-dependent symmetry energy, which is the difference between the energies of symmetric nuclear matter and PNM. In particular, this bound leads to a lower limit to the volume symmetry energy parameter S 0. In addition, for assumed values of S 0 above this minimum, this bound implies both upper and lower limits to the symmetry energy slope parameter L ,which describes the lowest-order density dependence of the symmetry energy. A lower bound on neutron-matter incompressibility is also obtained. These bounds are found to be consistent with both recent calculations of the energies of PNM and constraints from nuclear experiments. Our results are significant because several equations of state that are currently used in astrophysical simulations of supernovae and neutron star mergers, as well as in nuclear physics simulations of heavy-ion collisions, have symmetry energy parameters that violate these bounds. Furthermore, below the nuclear saturation density, the bound on neutron-matter energies leads to a lower limit to the density-dependent symmetry energy, which leads to upper limits to the nuclear surface symmetry parameter and the neutron-star crust-core boundary. We also obtain a lower limit to the neutron-skin thicknesses of neutron-rich nuclei. Above the nuclear saturation density, the bound on neutron-matter energies also leads to an upper limit to the symmetry energy, with implications for neutron-star cooling via the direct Urca process.

Contact effects analyzed by a parameter extraction method based on a single bottom-gate/top-contact organic thin-film transistor

NASA Astrophysics Data System (ADS)

Takagaki, Shunsuke; Yamada, Hirofumi; Noda, Kei

2018-03-01

Contact effects in organic thin-film transistors (OTFTs) were examined by using our previously proposed parameter extraction method from the electrical characteristics of a single staggered-type device. Gate-voltage-dependent contact resistance and channel mobility in the linear regime were evaluated for bottom-gate/top-contact (BGTC) pentacene TFTs with active layers of different thicknesses, and for pentacene TFTs with contact-doped layers prepared by coevaporation of pentacene and tetrafluorotetracyanoquinodimethane (F4TCNQ). The extracted parameters suggested that the influence of the contact resistance becomes more prominent with the larger active-layer thickness, and that contact-doping experiments give rise to a drastic decrease in the contact resistance and a concurrent considerable improvement in the channel mobility. Additionally, the estimated energy distributions of trap density in the transistor channel probably reflect the trap filling with charge carriers injected into the channel regions. The analysis results in this study confirm the effectiveness of our proposed method, with which we can investigate contact effects and circumvent the influences of characteristic variations in OTFT fabrication.

Speed of CMEs and the Magnetic Non-Potentiality of their Source Active Regions

NASA Technical Reports Server (NTRS)

Tiwari, Sanjiv Kumar; Falconer, David Allen; Moore, Ronald L.; Venkatakrishnan, P.; Winebarger, Amy R.; Khazanov, Igor G.

2014-01-01

Most fast coronal mass ejections (CMEs) originate from solar active regions (ARs). Non-potentiality of ARs plausibly determines the speed of CMEs in the outer corona. Several other unexplored parameters might be important as well. To find out the relation between the intial speed of CMEs and the non-potentiality of source ARs, we identified over a hundred of CMEs with source ARs via their co-produced flares. The speed of the CMEs are collected from the SOHO LASCO CME catalog. We have used vector magnetograms obtained with HMI/SDO, to evaluate various magnetic non-potentiality parameters, e.g. magnetic free-energy proxies, twist, shear angle, signed shear angle, net current etc. We have also included several other parameters e.g. total unsigned flux, magnetic area of ARs, area of sunspots, to investigate their correlation, if any, with the initial speeds of CMEs. Our preliminary results show that the ARs with larger non-potentiality and area produce faster CMEs but they can also produce slow ones. The ARs with lesser non-potentiality and area generally produce only slower CMEs.

Comparison of NBG-18, NBG-17, IG-110 and IG-11 oxidation kinetics in air

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

Lee, Jo Jo; Ghosh, Tushar K.; Loyalka, Sudarshan K.

In this paper, the oxidation rates of several nuclear-grade graphites, NBG-18, NBG-17, IG-110 and IG-11, were measured in air using thermogravimetry. Kinetic parameters and oxidation behavior for each grade were compared by coke type, filler grain size and microstructure. The thickness of the oxidized layer for each grade was determined by layer peeling and direct density measurements. The results for NBG-17 and IG-11 were compared with those available in the literature and our recently reported results for NBG-18 and IG-110 oxidation in air. The finer-grained graphites IG-110 and IG-11 were more oxidized than medium-grained NBG-18 and NBG-17 because of deepermore » oxidant penetration, higher porosity and higher probability of available active sites. Variation in experimental conditions also had a marked effect on the reported kinetic parameters by several studies. Finally, kinetic parameters such as activation energy and transition temperature were sensitive to air flow rates as well as sample size and geometry.« less

Comparison of NBG-18, NBG-17, IG-110 and IG-11 oxidation kinetics in air

DOE PAGES

Lee, Jo Jo; Ghosh, Tushar K.; Loyalka, Sudarshan K.

2017-12-14

In this paper, the oxidation rates of several nuclear-grade graphites, NBG-18, NBG-17, IG-110 and IG-11, were measured in air using thermogravimetry. Kinetic parameters and oxidation behavior for each grade were compared by coke type, filler grain size and microstructure. The thickness of the oxidized layer for each grade was determined by layer peeling and direct density measurements. The results for NBG-17 and IG-11 were compared with those available in the literature and our recently reported results for NBG-18 and IG-110 oxidation in air. The finer-grained graphites IG-110 and IG-11 were more oxidized than medium-grained NBG-18 and NBG-17 because of deepermore » oxidant penetration, higher porosity and higher probability of available active sites. Variation in experimental conditions also had a marked effect on the reported kinetic parameters by several studies. Finally, kinetic parameters such as activation energy and transition temperature were sensitive to air flow rates as well as sample size and geometry.« less

Roles of divergent and rotational winds in the kinetic energy balance during intense convective activity

NASA Technical Reports Server (NTRS)

Fuelberg, H. E.; Browning, P. A.

1983-01-01

Contributions of divergent and rotational wind components to the synoptic-scale kinetic energy balance are described using rawinsonde data at 3 and 6 h intervals from NASA's fourth Atmospheric Variability experiment. Two intense thunderstorm complexes occurred during the period. Energy budgets are described for the entire computational region and for limited volumes that enclosed storm-induced, upper level wind maxima located poleward of convection. Although small in magnitude, the divergent wind component played an important role in the cross-contour generation and horizontal flux divergence of kinetic energy. The importance of V(D) appears directly related to the presence and intensity of convection. Although K(D) usually comprised less than 10 percent of the total kinetic energy content, generation of kinetic energy by V(D) was a major factor in the creation of upper-level wind maxima to the north of the storm complexes. Omission of the divergent wind apparently would lead to serious misrepresentations of the energy balance. A random error analysis is presented to assess confidence limits in the various energy parameters.

Direct computation of general chemical energy differences: Application to ionization potentials, excitation, and bond energies.

PubMed

Beste, A; Harrison, R J; Yanai, T

2006-08-21

Chemists are mainly interested in energy differences. In contrast, most quantum chemical methods yield the total energy which is a large number compared to the difference and has therefore to be computed to a higher relative precision than would be necessary for the difference alone. Hence, it is desirable to compute energy differences directly, thereby avoiding the precision problem. Whenever it is possible to find a parameter which transforms smoothly from an initial to a final state, the energy difference can be obtained by integrating the energy derivative with respect to that parameter (cf. thermodynamic integration or adiabatic connection methods). If the dependence on the parameter is predominantly linear, accurate results can be obtained by single-point integration. In density functional theory and Hartree-Fock, we applied the formalism to ionization potentials, excitation energies, and chemical bond breaking. Example calculations for ionization potentials and excitation energies showed that accurate results could be obtained with a linear estimate. For breaking bonds, we introduce a nongeometrical parameter which gradually turns the interaction between two fragments of a molecule on. The interaction changes the potentials used to determine the orbitals as well as the constraint on the orbitals to be orthogonal.

Evaluation of Several Two-Step Scoring Functions Based on Linear Interaction Energy, Effective Ligand Size, and Empirical Pair Potentials for Prediction of Protein-Ligand Binding Geometry and Free Energy

PubMed Central

Rahaman, Obaidur; Estrada, Trilce P.; Doren, Douglas J.; Taufer, Michela; Brooks, Charles L.; Armen, Roger S.

2011-01-01

The performance of several two-step scoring approaches for molecular docking were assessed for their ability to predict binding geometries and free energies. Two new scoring functions designed for “step 2 discrimination” were proposed and compared to our CHARMM implementation of the linear interaction energy (LIE) approach using the Generalized-Born with Molecular Volume (GBMV) implicit solvation model. A scoring function S1 was proposed by considering only “interacting” ligand atoms as the “effective size” of the ligand, and extended to an empirical regression-based pair potential S2. The S1 and S2 scoring schemes were trained and five-fold cross validated on a diverse set of 259 protein-ligand complexes from the Ligand Protein Database (LPDB). The regression-based parameters for S1 and S2 also demonstrated reasonable transferability in the CSARdock 2010 benchmark using a new dataset (NRC HiQ) of diverse protein-ligand complexes. The ability of the scoring functions to accurately predict ligand geometry was evaluated by calculating the discriminative power (DP) of the scoring functions to identify native poses. The parameters for the LIE scoring function with the optimal discriminative power (DP) for geometry (step 1 discrimination) were found to be very similar to the best-fit parameters for binding free energy over a large number of protein-ligand complexes (step 2 discrimination). Reasonable performance of the scoring functions in enrichment of active compounds in four different protein target classes established that the parameters for S1 and S2 provided reasonable accuracy and transferability. Additional analysis was performed to definitively separate scoring function performance from molecular weight effects. This analysis included the prediction of ligand binding efficiencies for a subset of the CSARdock NRC HiQ dataset where the number of ligand heavy atoms ranged from 17 to 35. This range of ligand heavy atoms is where improved accuracy of predicted ligand efficiencies is most relevant to real-world drug design efforts. PMID:21644546

Evaluation of several two-step scoring functions based on linear interaction energy, effective ligand size, and empirical pair potentials for prediction of protein-ligand binding geometry and free energy.

PubMed

Rahaman, Obaidur; Estrada, Trilce P; Doren, Douglas J; Taufer, Michela; Brooks, Charles L; Armen, Roger S

2011-09-26

The performances of several two-step scoring approaches for molecular docking were assessed for their ability to predict binding geometries and free energies. Two new scoring functions designed for "step 2 discrimination" were proposed and compared to our CHARMM implementation of the linear interaction energy (LIE) approach using the Generalized-Born with Molecular Volume (GBMV) implicit solvation model. A scoring function S1 was proposed by considering only "interacting" ligand atoms as the "effective size" of the ligand and extended to an empirical regression-based pair potential S2. The S1 and S2 scoring schemes were trained and 5-fold cross-validated on a diverse set of 259 protein-ligand complexes from the Ligand Protein Database (LPDB). The regression-based parameters for S1 and S2 also demonstrated reasonable transferability in the CSARdock 2010 benchmark using a new data set (NRC HiQ) of diverse protein-ligand complexes. The ability of the scoring functions to accurately predict ligand geometry was evaluated by calculating the discriminative power (DP) of the scoring functions to identify native poses. The parameters for the LIE scoring function with the optimal discriminative power (DP) for geometry (step 1 discrimination) were found to be very similar to the best-fit parameters for binding free energy over a large number of protein-ligand complexes (step 2 discrimination). Reasonable performance of the scoring functions in enrichment of active compounds in four different protein target classes established that the parameters for S1 and S2 provided reasonable accuracy and transferability. Additional analysis was performed to definitively separate scoring function performance from molecular weight effects. This analysis included the prediction of ligand binding efficiencies for a subset of the CSARdock NRC HiQ data set where the number of ligand heavy atoms ranged from 17 to 35. This range of ligand heavy atoms is where improved accuracy of predicted ligand efficiencies is most relevant to real-world drug design efforts.

Catalytic pyrolysis characteristics of scrap printed circuit boards by TG-FTIR.

PubMed

Zhao, Chunhu; Zhang, Xiaoping; Shi, Lin

2017-03-01

In the present work, pyrolysis and catalytic pyrolysis of waste printed circuit boards (WPCBs) was carried out in the coupling of Thermo Gravimetric Analysis and Fourier Transform Infrared Spectroscopy (TG-FTIR) under nitrogen atmosphere. The reaction temperature was increased from 30 to 700°C, while the heating rates were varied from 10 to 40°C/min. Experimental results show that the effect of catalyst on the WPCBs particles pyrolysis was significance. Compared with another two combustion-supporting agents (MgO, CaO), the whole pyrolysis process was optimized when the catalyst ZSM-5 was added into the WPCBs particles. The distributed activation energy model (DAEM) was used to analyze the kinetic parameters of the WPCBs pyrolysis. It was found that values of frequency factor (k 0 ) changed with different activation energy (E) values during pyrolysis process. The activation energy values range from 129.15 to 280.53kJ/mol, and the frequency factor values range from 9.02×10 10 to 4.21×10 22 s -1 . The generated major products for the catalytic pyrolysis of WPCBs were H 2 , CO 2 , CO, H 2 O, phenols and aromatics. Copyright © 2016 Elsevier Ltd. All rights reserved.

Electric field control in DC cable test termination by nano silicone rubber composite

NASA Astrophysics Data System (ADS)

Song, Shu-Wei; Li, Zhongyuan; Zhao, Hong; Zhang, Peihong; Han, Baozhong; Fu, Mingli; Hou, Shuai

2017-07-01

The electric field distributions in high voltage direct current cable termination are investigated with silicone rubber nanocomposite being the electric stress control insulator. The nanocomposite is composed of silicone rubber, nanoscale carbon black and graphitic carbon. The experimental results show that the physical parameters of the nanocomposite, such as thermal activation energy and nonlinearity-relevant coefficient, can be manipulated by varying the proportion of the nanoscale fillers. The numerical simulation shows that safe electric field distribution calls for certain parametric region of the thermal activation energy and nonlinearity-relevant coefficient. Outside the safe parametric region, local maximum of electric field strength around the stress cone appears in the termination insulator, enhancing the breakdown of the cable termination. In the presence of the temperature gradient, thermal activation energy and nonlinearity-relevant coefficient work as complementary factors to produce a reasonable electric field distribution. The field maximum in the termination insulator show complicate variation in the transient processes. The stationary field distribution favors the increase of the nonlinearity-relevant coefficient; for the transient field distribution in the process of negative lighting impulse, however, an optimized value of the nonlinearity-relevant coefficient is necessary to equalize the electric field in the termination.

Active inference and epistemic value.

PubMed

Friston, Karl; Rigoli, Francesco; Ognibene, Dimitri; Mathys, Christoph; Fitzgerald, Thomas; Pezzulo, Giovanni

2015-01-01

We offer a formal treatment of choice behavior based on the premise that agents minimize the expected free energy of future outcomes. Crucially, the negative free energy or quality of a policy can be decomposed into extrinsic and epistemic (or intrinsic) value. Minimizing expected free energy is therefore equivalent to maximizing extrinsic value or expected utility (defined in terms of prior preferences or goals), while maximizing information gain or intrinsic value (or reducing uncertainty about the causes of valuable outcomes). The resulting scheme resolves the exploration-exploitation dilemma: Epistemic value is maximized until there is no further information gain, after which exploitation is assured through maximization of extrinsic value. This is formally consistent with the Infomax principle, generalizing formulations of active vision based upon salience (Bayesian surprise) and optimal decisions based on expected utility and risk-sensitive (Kullback-Leibler) control. Furthermore, as with previous active inference formulations of discrete (Markovian) problems, ad hoc softmax parameters become the expected (Bayes-optimal) precision of beliefs about, or confidence in, policies. This article focuses on the basic theory, illustrating the ideas with simulations. A key aspect of these simulations is the similarity between precision updates and dopaminergic discharges observed in conditioning paradigms.

SUPPLY AND DEMAND IN CEREBRAL ENERGY METABOLISM: THE ROLE OF NUTRIENT TRANSPORTERS

PubMed Central

Simpson, Ian A.; Carruthers, Anthony; Vannucci, Susan J.

2007-01-01

Glucose is the obligate energetic fuel for the mammalian brain and most studies of cerebral energy metabolism assume that the vast majority of cerebral glucose utilization fuels neuronal activity via oxidative metabolism, both in the basal and activated state. Glucose transporter proteins (GLUTs) deliver glucose from the circulation to the brain: GLUT1 in the microvascular endothelial cells of the blood brain barrier (BBB) and glia; GLUT3 in neurons. Lactate, the glycolytic product of glucose metabolism, is transported into and out of neural cells by the monocarboxylate transporters: MCT1 in the BBB and astrocytes and MCT2 in neurons. The proposal of the astrocyte-neuron lactate shuttle hypothesis (Pellerin and Magistretti, 1994) suggested that astrocytes play the primary role in cerebral glucose utilization and generate lactate for neuronal energetics, especially during activation. Since the identification of the GLUTs and MCTs in brain, much has been learned about their transport properties, i.e. capacity and affinity for substrate, which must be considered in any model of cerebral glucose uptake and utilization. Using concentrations and kinetic parameters of GLUT1 and GLUT3 in BBB endothelial cells, astrocytes and neurons, along with the corresponding kinetic properties of the monocarboxylate transporters, we have successfully modeled brain glucose and lactate levels as well as lactate transients in response to neuronal stimulation. Simulations based on these parameters suggest that glucose readily diffuses through the basal lamina and interstitium to neurons, which are primarily responsible for glucose uptake, metabolism, and the generation of the lactate transients observed upon neuronal activation. PMID:17579656

Autonomy supportive environments and mastery as basic factors to motivate physical activity in children: a controlled laboratory study

PubMed Central

2012-01-01

Background Choice promotes the experience of autonomy, which enhances intrinsic motivation. Providing a greater choice of traditional active toys may increase children's activity time. Mastery also increases intrinsic motivation and is designed into exergames, which may increase play time of a single exergame, reducing the need for choice to motivate activity compared to traditional active toys. Providing both choice and mastery could be most efficacious at increasing activity time. The energy expenditure (EE) of an active play session is dependent on the duration of play and the rate of EE during play. The rate of EE of exergames and the same game played in traditional fashion is not known. The purpose was to test the basic parameters of choice and mastery on children's physical activity time, activity intensity, and energy expenditure. Methods 44 children were assigned to low (1 toy) or high (3 toys) choice groups. Children completed 60 min sessions with access to traditional active toys on one visit and exergame versions of the same active toys on another visit. Results Choice had a greater effect on increasing girls' (146%) than boys' (23%) activity time and on girls' (230%) than boys' (minus 24%) activity intensity. When provided choice, girls' activity time and intensity were no longer lower than boys' activity time and intensity. The combination of choice and mastery by providing access to 3 exergames produced greater increases in physical activity time (1 toy 22.5 min, 3 toys 41.4 min) than choice alone via access to 3 traditional games (1 toy 13.6 min, 3 toys 19.5 min). Energy expenditure was 83% greater when engaging in traditional games than exergames. Conclusions Boys and girls differ in their behavioral responses to autonomy supportive environments. By providing girls with greater autonomy they can be motivated to engage in physical activity equal to boys. An environment that provides both autonomy and mastery is most efficacious at increasing physical activity time. Though children play exergames 87% longer than traditional games, the rate of energy expenditure is 83% lower for exergames than traditional indoor versions of the same games. PMID:22353207

Autonomy supportive environments and mastery as basic factors to motivate physical activity in children: a controlled laboratory study.

PubMed

Roemmich, James N; Lambiase Ms, Maya J; McCarthy, Thomas F; Feda, Denise M; Kozlowski, Karl F

2012-02-21

Choice promotes the experience of autonomy, which enhances intrinsic motivation. Providing a greater choice of traditional active toys may increase children's activity time. Mastery also increases intrinsic motivation and is designed into exergames, which may increase play time of a single exergame, reducing the need for choice to motivate activity compared to traditional active toys. Providing both choice and mastery could be most efficacious at increasing activity time. The energy expenditure (EE) of an active play session is dependent on the duration of play and the rate of EE during play. The rate of EE of exergames and the same game played in traditional fashion is not known. The purpose was to test the basic parameters of choice and mastery on children's physical activity time, activity intensity, and energy expenditure. 44 children were assigned to low (1 toy) or high (3 toys) choice groups. Children completed 60 min sessions with access to traditional active toys on one visit and exergame versions of the same active toys on another visit. Choice had a greater effect on increasing girls' (146%) than boys' (23%) activity time and on girls' (230%) than boys' (minus 24%) activity intensity. When provided choice, girls' activity time and intensity were no longer lower than boys' activity time and intensity. The combination of choice and mastery by providing access to 3 exergames produced greater increases in physical activity time (1 toy 22.5 min, 3 toys 41.4 min) than choice alone via access to 3 traditional games (1 toy 13.6 min, 3 toys 19.5 min). Energy expenditure was 83% greater when engaging in traditional games than exergames. Boys and girls differ in their behavioral responses to autonomy supportive environments. By providing girls with greater autonomy they can be motivated to engage in physical activity equal to boys. An environment that provides both autonomy and mastery is most efficacious at increasing physical activity time. Though children play exergames 87% longer than traditional games, the rate of energy expenditure is 83% lower for exergames than traditional indoor versions of the same games.

Multiband variability studies and novel broadband SED modeling of Mrk 501 in 2009

NASA Astrophysics Data System (ADS)

Ahnen, M. L.; Ansoldi, S.; Antonelli, L. A.; Antoranz, P.; Babic, A.; Banerjee, B.; Bangale, P.; Barres de Almeida, U.; Barrio, J. A.; Becerra González, J.; Bednarek, W.; Bernardini, E.; Berti, A.; Biasuzzi, B.; Biland, A.; Blanch, O.; Bonnefoy, S.; Bonnoli, G.; Borracci, F.; Bretz, T.; Buson, S.; Carosi, A.; Chatterjee, A.; Clavero, R.; Colin, P.; Colombo, E.; Contreras, J. L.; Cortina, J.; Covino, S.; Da Vela, P.; Dazzi, F.; De Angelis, A.; De Lotto, B.; de Oña Wilhelmi, E.; Di Pierro, F.; Doert, M.; Domínguez, A.; Dominis Prester, D.; Dorner, D.; Doro, M.; Einecke, S.; Eisenacher Glawion, D.; Elsaesser, D.; Engelkemeier, M.; Fallah Ramazani, V.; Fernández-Barral, A.; Fidalgo, D.; Fonseca, M. V.; Font, L.; Frantzen, K.; Fruck, C.; Galindo, D.; García López, R. J.; Garczarczyk, M.; Garrido Terrats, D.; Gaug, M.; Giammaria, P.; Godinović, N.; González Muñoz, A.; Gora, D.; Guberman, D.; Hadasch, D.; Hahn, A.; Hanabata, Y.; Hayashida, M.; Herrera, J.; Hose, J.; Hrupec, D.; Hughes, G.; Idec, W.; Kodani, K.; Konno, Y.; Kubo, H.; Kushida, J.; La Barbera, A.; Lelas, D.; Lindfors, E.; Lombardi, S.; Longo, F.; López, M.; López-Coto, R.; Majumdar, P.; Makariev, M.; Mallot, K.; Maneva, G.; Manganaro, M.; Mannheim, K.; Maraschi, L.; Marcote, B.; Mariotti, M.; Martínez, M.; Mazin, D.; Menzel, U.; Miranda, J. M.; Mirzoyan, R.; Moralejo, A.; Moretti, E.; Nakajima, D.; Neustroev, V.; Niedzwiecki, A.; Nievas Rosillo, M.; Nilsson, K.; Nishijima, K.; Noda, K.; Nogués, L.; Overkemping, A.; Paiano, S.; Palacio, J.; Palatiello, M.; Paneque, D.; Paoletti, R.; Paredes, J. M.; Paredes-Fortuny, X.; Pedaletti, G.; Peresano, M.; Perri, L.; Persic, M.; Poutanen, J.; Prada Moroni, P. G.; Prandini, E.; Puljak, I.; Reichardt, I.; Rhode, W.; Ribó, M.; Rico, J.; Rodriguez Garcia, J.; Saito, T.; Satalecka, K.; Schröder, S.; Schultz, C.; Schweizer, T.; Shore, S. N.; Sillanpää, A.; Sitarek, J.; Snidaric, I.; Sobczynska, D.; Stamerra, A.; Steinbring, T.; Strzys, M.; Surić, T.; Takalo, L.; Tavecchio, F.; Temnikov, P.; Terzić, T.; Tescaro, D.; Teshima, M.; Thaele, J.; Torres, D. F.; Toyama, T.; Treves, A.; Vanzo, G.; Verguilov, V.; Vovk, I.; Ward, J. E.; Will, M.; Wu, M. H.; Zanin, R.; Abeysekara, A. U.; Archambault, S.; Archer, A.; Benbow, W.; Bird, R.; Buchovecky, M.; Buckley, J. H.; Bugaev, V.; Connolly, M. P.; Cui, W.; Dickinson, H. J.; Falcone, A.; Feng, Q.; Finley, J. P.; Fleischhack, H.; Flinders, A.; Fortson, L.; Gillanders, G. H.; Griffin, S.; Grube, J.; Hütten, M.; Hanna, D.; Holder, J.; Humensky, T. B.; Kaaret, P.; Kar, P.; Kelley-Hoskins, N.; Kertzman, M.; Kieda, D.; Krause, M.; Krennrich, F.; Lang, M. J.; Maier, G.; McCann, A.; Moriarty, P.; Mukherjee, R.; Nieto, D.; O'Brien, S.; Ong, R. A.; Otte, N.; Park, N.; Perkins, J.; Pichel, A.; Pohl, M.; Popkow, A.; Pueschel, E.; Quinn, J.; Ragan, K.; Reynolds, P. T.; Richards, G. T.; Roache, E.; Rovero, A. C.; Rulten, C.; Sadeh, I.; Santander, M.; Sembroski, G. H.; Shahinyan, K.; Telezhinsky, I.; Tucci, J. V.; Tyler, J.; Wakely, S. P.; Weinstein, A.; Wilcox, P.; Wilhelm, A.; Williams, D. A.; Zitzer, B.; Razzaque, S.; Villata, M.; Raiteri, C. M.; Aller, H. D.; Aller, M. F.; Larionov, V. M.; Arkharov, A. A.; Blinov, D. A.; Efimova, N. V.; Grishina, T. S.; Hagen-Thorn, V. A.; Kopatskaya, E. N.; Larionova, L. V.; Larionova, E. G.; Morozova, D. A.; Troitsky, I. S.; Ligustri, R.; Calcidese, P.; Berdyugin, A.; Kurtanidze, O. M.; Nikolashvili, M. G.; Kimeridze, G. N.; Sigua, L. A.; Kurtanidze, S. O.; Chigladze, R. A.; Chen, W. P.; Koptelova, E.; Sakamoto, T.; Sadun, A. C.; Moody, J. W.; Pace, C.; Pearson, R.; Yatsu, Y.; Mori, Y.; Carraminyana, A.; Carrasco, L.; de la Fuente, E.; Norris, J. P.; Smith, P. S.; Wehrle, A.; Gurwell, M. A.; Zook, A.; Pagani, C.; Perri, M.; Capalbi, M.; Cesarini, A.; Krimm, H. A.; Kovalev, Y. Y.; Kovalev, Yu. A.; Ros, E.; Pushkarev, A. B.; Lister, M. L.; Sokolovsky, K. V.; Kadler, M.; Piner, G.; Lähteenmäki, A.; Tornikoski, M.; Angelakis, E.; Krichbaum, T. P.; Nestoras, I.; Fuhrmann, L.; Zensus, J. A.; Cassaro, P.; Orlati, A.; Maccaferri, G.; Leto, P.; Giroletti, M.; Richards, J. L.; Max-Moerbeck, W.; Readhead, A. C. S.

2017-07-01

Context. We present an extensive study of the BL Lac object Mrk 501 based on a data set collected during the multi-instrument campaign spanning from 2009 March 15 to 2009 August 1, which includes, among other instruments, MAGIC, VERITAS, Whipple 10 m, and Fermi-LAT to cover the γ-ray range from 0.1 GeV to 20 TeV; RXTE and Swift to cover wavelengths from UV tohard X-rays; and GASP-WEBT, which provides coverage of radio and optical wavelengths. Optical polarization measurements were provided for a fraction of the campaign by the Steward and St. Petersburg observatories. We evaluate the variability of the source and interband correlations, the γ-ray flaring activity occurring in May 2009, and interpret the results within two synchrotron self-Compton (SSC) scenarios. Aims: The multiband variability observed during the full campaign is addressed in terms of the fractional variability, and the possible correlations are studied by calculating the discrete correlation function for each pair of energy bands where the significance was evaluated with dedicated Monte Carlo simulations. The space of SSC model parameters is probed following a dedicated grid-scan strategy, allowing for a wide range of models to be tested and offering a study of the degeneracy of model-to-data agreement in the individual model parameters, hence providing a less biased interpretation than the "single-curve SSC model adjustment" typically reported in the literature. Methods: We find an increase in the fractional variability with energy, while no significant interband correlations of flux changes are found on the basis of the acquired data set. The SSC model grid-scan shows that the flaring activity around May 22 cannot be modeled adequately with a one-zone SSC scenario (using an electron energy distribution with two breaks), while it can be suitably described within a two (independent) zone SSC scenario. Here, one zone is responsible for the quiescent emission from the averaged 4.5-month observing period, while the other one, which is spatially separated from the first, dominates the flaring emission occurring at X-rays and very-high-energy (>100 GeV, VHE) γ rays. The flaring activity from May 1, which coincides with a rotation of the electric vector polarization angle (EVPA), cannot be satisfactorily reproduced by either a one-zone or a two-independent-zone SSC model, yet this is partially affected by the lack of strictly simultaneous observations and the presence of large flux changes on sub-hour timescales (detected at VHE γ rays). Results: The higher variability in the VHE emission and lack of correlation with the X-ray emission indicate that, at least during the 4.5-month observing campaign in 2009, the highest energy (and most variable) electrons that are responsible for the VHE γ rays do not make a dominant contribution to the 1 keV emission. Alternatively, there could be a very variable component contributing to the VHE γ-ray emission in addition to that coming from the SSC scenario. The studies with our dedicated SSC grid-scan show that there is some degeneracy in both the one-zone and the two-zone SSC scenarios probed, with several combinations of model parameters yielding a similar model-to-data agreement, and some parameters better constrained than others. The observed γ-ray flaring activity, with the EVPA rotation coincident with the first γ-ray flare, resembles those reported previously for low frequency peaked blazars, hence suggesting that there are many similarities in the flaring mechanisms of blazars with different jet properties.

Dark energy equation of state parameter and its evolution at low redshift

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

Tripathi, Ashutosh; Sangwan, Archana; Jassal, H.K., E-mail: ashutosh_tripathi@fudan.edu.cn, E-mail: archanakumari@iisermohali.ac.in, E-mail: hkjassal@iisermohali.ac.in

In this paper, we constrain dark energy models using a compendium of observations at low redshifts. We consider the dark energy as a barotropic fluid, with the equation of state a constant as well the case where dark energy equation of state is a function of time. The observations considered here are Supernova Type Ia data, Baryon Acoustic Oscillation data and Hubble parameter measurements. We compare constraints obtained from these data and also do a combined analysis. The combined observational constraints put strong limits on variation of dark energy density with redshift. For varying dark energy models, the range ofmore » parameters preferred by the supernova type Ia data is in tension with the other low redshift distance measurements.« less

Ionic force field optimization based on single-ion and ion-pair solvation properties: Going beyond standard mixing rules

NASA Astrophysics Data System (ADS)

Fyta, Maria; Netz, Roland R.

2012-03-01

Using molecular dynamics (MD) simulations in conjunction with the SPC/E water model, we optimize ionic force-field parameters for seven different halide and alkali ions, considering a total of eight ion-pairs. Our strategy is based on simultaneous optimizing single-ion and ion-pair properties, i.e., we first fix ion-water parameters based on single-ion solvation free energies, and in a second step determine the cation-anion interaction parameters (traditionally given by mixing or combination rules) based on the Kirkwood-Buff theory without modification of the ion-water interaction parameters. In doing so, we have introduced scaling factors for the cation-anion Lennard-Jones (LJ) interaction that quantify deviations from the standard mixing rules. For the rather size-symmetric salt solutions involving bromide and chloride ions, the standard mixing rules work fine. On the other hand, for the iodide and fluoride solutions, corresponding to the largest and smallest anion considered in this work, a rescaling of the mixing rules was necessary. For iodide, the experimental activities suggest more tightly bound ion pairing than given by the standard mixing rules, which is achieved in simulations by reducing the scaling factor of the cation-anion LJ energy. For fluoride, the situation is different and the simulations show too large attraction between fluoride and cations when compared with experimental data. For NaF, the situation can be rectified by increasing the cation-anion LJ energy. For KF, it proves necessary to increase the effective cation-anion Lennard-Jones diameter. The optimization strategy outlined in this work can be easily adapted to different kinds of ions.

BAT AGN Spectroscopic Survey. V. X-Ray Properties of the Swift/BAT 70-month AGN Catalog

NASA Astrophysics Data System (ADS)

Ricci, C.; Trakhtenbrot, B.; Koss, M. J.; Ueda, Y.; Del Vecchio, I.; Treister, E.; Schawinski, K.; Paltani, S.; Oh, K.; Lamperti, I.; Berney, S.; Gandhi, P.; Ichikawa, K.; Bauer, F. E.; Ho, L. C.; Asmus, D.; Beckmann, V.; Soldi, S.; Baloković, M.; Gehrels, N.; Markwardt, C. B.

2017-12-01

Hard X-ray (≥10 keV) observations of active galactic nuclei (AGNs) can shed light on some of the most obscured episodes of accretion onto supermassive black holes. The 70-month Swift/BAT all-sky survey, which probes the 14-195 keV energy range, has currently detected 838 AGNs. We report here on the broadband X-ray (0.3-150 keV) characteristics of these AGNs, obtained by combining XMM-Newton, Swift/XRT, ASCA, Chandra, and Suzaku observations in the soft X-ray band (≤slant 10 keV) with 70-month averaged Swift/BAT data. The nonblazar AGNs of our sample are almost equally divided into unobscured ({N}{{H}}< {10}22 {{cm}}-2) and obscured ({N}{{H}}≥slant {10}22 {{cm}}-2) AGNs, and their Swift/BAT continuum is systematically steeper than the 0.3-10 keV emission, which suggests that the presence of a high-energy cutoff is almost ubiquitous. We discuss the main X-ray spectral parameters obtained, such as the photon index, the reflection parameter, the energy of the cutoff, neutral and ionized absorbers, and the soft excess for both obscured and unobscured AGNs.

Isoalantolactone derivative promotes glucose utilization in skeletal muscle cells and increases energy expenditure in db/db mice via activating AMPK-dependent signaling.

PubMed

Arha, Deepti; Ramakrishna, E; Gupta, Anand P; Rai, Amit K; Sharma, Aditya; Ahmad, Ishbal; Riyazuddin, Mohammed; Gayen, Jiaur R; Maurya, Rakesh; Tamrakar, Akhilesh K

2018-01-15

Augmenting glucose utilization and energy expenditure in skeletal muscle via AMP-activated protein kinase (AMPK) is an imperative mechanism for the management of type 2 diabetes. Chemical derivatives (2a-2h, 3, 4a-4d, 5) of the isoalantolactone (K007), a bioactive molecule from roots of Inula racemosa were synthesized to optimize the bioactivity profile to stimulate glucose utilization in skeletal muscle cells. Interestingly, 4a augmented glucose uptake, driven by enhanced translocation of glucose transporter 4 (GLUT4) to cell periphery in L6 rat skeletal muscle cells. The effect of 4a was independent to phosphatidylinositide-3-kinase (PI-3-K)/Akt pathway, but mediated through Liver kinase B1 (LKB1)/AMPK-dependent signaling, leading to activation of downstream targets acetyl coenzyme A carboxylase (ACC) and sterol regulatory element binding protein 1c (SREBP-1c). In db/db mice, 4a administration decreased blood glucose level and improved body mass index, lipid parameters and glucose tolerance associated with elevation of GLUT4 expression in skeletal muscle. Moreover, 4a increased energy expenditure via activating substrate utilization and upregulated the expression of thermogenic transcription factors and mitochondrial proteins in skeletal muscle, suggesting the regulation of energy balance. These findings suggest the potential implication of isoalantolactone derivatives for the management of diabetes. Copyright © 2017 Elsevier B.V. All rights reserved.

Synthesis and characterization of TiO2 loaded cashew nut shell activated carbon and photocatalytic activity on BG and MB dyes under sunlight radiation.

PubMed

Ragupathy, S; Raghu, K; Prabu, P

2015-03-05

Synthesis of titanium dioxide (TiO2) nanoparticles and TiO2 loaded cashew nut shell activated carbon (TiO2/CNSAC) had been undertaken using sol-gel method and their application in BG and MB dyes removal under sunlight radiation has been investigated. The synthesized photocatalysts were characterized by X-ray diffraction analysis (XRD), Fourier infra-red spectroscopy (FT-IR), UV-Vis-diffuse reflectance spectroscopy (DRS) and scanning electron microscopy (SEM) with energy dispersive X-ray analysis (EDX). The various experimental parameters like amount of catalyst, contact time for efficient dyes degradation of BG and MB were concerned in this study. Activity measurements performed under solar irradiation has shown good results for the photodegradation of BG and MB in aqueous solution. It was concluded that the higher photocatalytic activity in TiO2/CNSAC was due to parameters like band-gap, number of hydroxyl groups, surface area and porosity of the catalyst. The kinetic data were also described by the pseudo-first-order and pseudo-second-order kinetic models. Copyright © 2014 Elsevier B.V. All rights reserved.

Universal structural parameter to quantitatively predict metallic glass properties

DOE PAGES

Ding, Jun; Cheng, Yong-Qiang; Sheng, Howard; ...

2016-12-12

Quantitatively correlating the amorphous structure in metallic glasses (MGs) with their physical properties has been a long-sought goal. Here we introduce flexibility volume' as a universal indicator, to bridge the structural state the MG is in with its properties, on both atomic and macroscopic levels. The flexibility volume combines static atomic volume with dynamics information via atomic vibrations that probe local configurational space and interaction between neighbouring atoms. We demonstrate that flexibility volume is a physically appropriate parameter that can quantitatively predict the shear modulus, which is at the heart of many key properties of MGs. Moreover, the new parametermore » correlates strongly with atomic packing topology, and also with the activation energy for thermally activated relaxation and the propensity for stress-driven shear transformations. These correlations are expected to be robust across a very wide range of MG compositions, processing conditions and length scales.« less

Adsorption of diclofenac and nimesulide on activated carbon: Statistical physics modeling and effect of adsorbate size

NASA Astrophysics Data System (ADS)

Sellaoui, Lotfi; Mechi, Nesrine; Lima, Éder Cláudio; Dotto, Guilherme Luiz; Ben Lamine, Abdelmottaleb

2017-10-01

Based on statistical physics elements, the equilibrium adsorption of diclofenac (DFC) and nimesulide (NM) on activated carbon was analyzed by a multilayer model with saturation. The paper aimed to describe experimentally and theoretically the adsorption process and study the effect of adsorbate size using the model parameters. From numerical simulation, the number of molecules per site showed that the adsorbate molecules (DFC and NM) were mostly anchored in both sides of the pore walls. The receptor sites density increase suggested that additional sites appeared during the process, to participate in DFC and NM adsorption. The description of the adsorption energy behavior indicated that the process was physisorption. Finally, by a model parameters correlation, the size effect of the adsorbate was deduced indicating that the molecule dimension has a negligible effect on the DFC and NM adsorption.

Multi-parameter geometrical scaledown study for energy optimization of MTJ and related spintronics nanodevices

NASA Astrophysics Data System (ADS)

Farhat, I. A. H.; Alpha, C.; Gale, E.; Atia, D. Y.; Stein, A.; Isakovic, A. F.

The scaledown of magnetic tunnel junctions (MTJ) and related nanoscale spintronics devices poses unique challenges for energy optimization of their performance. We demonstrate the dependence of the switching current on the scaledown variable, while considering the influence of geometric parameters of MTJ, such as the free layer thickness, tfree, lateral size of the MTJ, w, and the anisotropy parameter of the MTJ. At the same time, we point out which values of the saturation magnetization, Ms, and anisotropy field, Hk, can lead to lowering the switching current and overall decrease of the energy needed to operate an MTJ. It is demonstrated that scaledown via decreasing the lateral size of the MTJ, while allowing some other parameters to be unconstrained, can improve energy performance by a measurable factor, shown to be the function of both geometric and physical parameters above. Given the complex interdependencies among both families of parameters, we developed a particle swarm optimization (PSO) algorithm that can simultaneously lower energy of operation and the switching current density. Results we obtained in scaledown study and via PSO optimization are compared to experimental results. Support by Mubadala-SRC 2012-VJ-2335 is acknowledged, as are staff at Cornell-CNF and BNL-CFN.

Examining a Thermodynamic Order Parameter of Protein Folding.

PubMed

Chong, Song-Ho; Ham, Sihyun

2018-05-08

Dimensionality reduction with a suitable choice of order parameters or reaction coordinates is commonly used for analyzing high-dimensional time-series data generated by atomistic biomolecular simulations. So far, geometric order parameters, such as the root mean square deviation, fraction of native amino acid contacts, and collective coordinates that best characterize rare or large conformational transitions, have been prevailing in protein folding studies. Here, we show that the solvent-averaged effective energy, which is a thermodynamic quantity but unambiguously defined for individual protein conformations, serves as a good order parameter of protein folding. This is illustrated through the application to the folding-unfolding simulation trajectory of villin headpiece subdomain. We rationalize the suitability of the effective energy as an order parameter by the funneledness of the underlying protein free energy landscape. We also demonstrate that an improved conformational space discretization is achieved by incorporating the effective energy. The most distinctive feature of this thermodynamic order parameter is that it works in pointing to near-native folded structures even when the knowledge of the native structure is lacking, and the use of the effective energy will also find applications in combination with methods of protein structure prediction.

The effects of fasting on swimming performance in juvenile qingbo (Spinibarbus sinensis) at two temperatures.

PubMed

Pang, Xu; Yuan, Xing-Zhong; Cao, Zhen-Dong; Fu, Shi-Jian

2014-05-01

We measured the following variables to investigate the effects of fasting and temperature on swimming performance in juvenile qingbo (Spinibarbus sinensis): the critical swimming speed (Ucrit), resting metabolic rate (ṀO2rest) and active metabolic rate (ṀO2active) of fish fasting for 0 (control), 1, 2 and 4 weeks at low and high acclimation temperatures (15 and 25°C). Both fasting treatment and temperature acclimation had significant effects on all parameters measured (P<0.05). Fasting at the higher temperature had a negative effect on all measured parameters after 1 week (P<0.05). However, when acclimated to the lower temperature, fasting had a negative effect on Ucrit until week 2 and on (ṀO2rest), (ṀO2active) and metabolic scope (MS, (ṀO2active)-(ṀO2rest)) until week 4 (P<0.05). The values of all parameters at the lower temperature were significantly lower than those at the higher temperature in the identical fasting period groups except for (ṀO2rest) of the fish that fasted for 2 weeks. The relationship between fasting time (T) and Ucrit was described as Ucrit(15)=-0.302T(2)-0.800T+35.877 (r=0.781, n=32, P<0.001) and Ucrit(25)=0.471T(2)-3.781T+50.097 (r=0.766, n=32, P<0.001) at 15 and 25°C, respectively. The swimming performance showed less decrease in the early stage of fasting but more decrease in the later stage at the low temperature compared to the high temperature, which might be related to thermal acclimation time, resting metabolism, respiratory capacity, energy stores, enzyme activity in muscle tissue and energy substrate utilization changes with fasting between low and high temperatures. The divergent response of the swimming performance to fasting in qingbo at different temperatures might be an adaptive strategy to seasonal temperature and food resource variation in their habitat. Copyright © 2014. Published by Elsevier Ltd.

The need for control of magnetic parameters for energy efficient performance of magnetic tunnel junctions

NASA Astrophysics Data System (ADS)

Farhat, I. A. H.; Gale, E.; Alpha, C.; Isakovic, A. F.

2017-07-01

Optimizing energy performance of Magnetic Tunnel Junctions (MTJs) is the key for embedding Spin Transfer Torque-Random Access Memory (STT-RAM) in low power circuits. Due to the complex interdependencies of the parameters and variables of the device operating energy, it is important to analyse parameters with most effective control of MTJ power. The impact of threshold current density, Jco , on the energy and the impact of HK on Jco are studied analytically, following the expressions that stem from Landau-Lifshitz-Gilbert-Slonczewski (LLGS-STT) model. In addition, the impact of other magnetic material parameters, such as Ms , and geometric parameters such as tfree and λ is discussed. Device modelling study was conducted to analyse the impact at the circuit level. Nano-magnetism simulation based on NMAGTM package was conducted to analyse the impact of controlling HK on the switching dynamics of the film.

Optimization and comparison of simultaneous and separate acquisition protocols for dual isotope myocardial perfusion SPECT.

PubMed

Ghaly, Michael; Links, Jonathan M; Frey, Eric C

2015-07-07

Dual-isotope simultaneous-acquisition (DISA) rest-stress myocardial perfusion SPECT (MPS) protocols offer a number of advantages over separate acquisition. However, crosstalk contamination due to scatter in the patient and interactions in the collimator degrade image quality. Compensation can reduce the effects of crosstalk, but does not entirely eliminate image degradations. Optimizing acquisition parameters could further reduce the impact of crosstalk. In this paper we investigate the optimization of the rest Tl-201 energy window width and relative injected activities using the ideal observer (IO), a realistic digital phantom population and Monte Carlo (MC) simulated Tc-99m and Tl-201 projections as a means to improve image quality. We compared performance on a perfusion defect detection task for Tl-201 acquisition energy window widths varying from 4 to 40 keV centered at 72 keV for a camera with a 9% energy resolution. We also investigated 7 different relative injected activities, defined as the ratio of Tc-99m and Tl-201 activities, while keeping the total effective dose constant at 13.5 mSv. For each energy window and relative injected activity, we computed the IO test statistics using a Markov chain Monte Carlo (MCMC) method for an ensemble of 1,620 triplets of fixed and reversible defect-present, and defect-absent noisy images modeling realistic background variations. The volume under the 3-class receiver operating characteristic (ROC) surface (VUS) was estimated and served as the figure of merit. For simultaneous acquisition, the IO suggested that relative Tc-to-Tl injected activity ratios of 2.6-5 and acquisition energy window widths of 16-22% were optimal. For separate acquisition, we observed a broad range of optimal relative injected activities from 2.6 to 12.1 and acquisition energy window of widths 16-22%. A negative correlation between Tl-201 injected activity and the width of the Tl-201 energy window was observed in these ranges. The results also suggested that DISA methods could potentially provide image quality as good as that obtained with separate acquisition protocols. We compared observer performance for the optimized protocols and the current clinical protocol using separate acquisition. The current clinical protocols provided better performance at a cost of injecting the patient with approximately double the injected activity of Tc-99m and Tl-201, resulting in substantially increased radiation dose.

Chemically Activated Formation of Organic Acids in Reactions of the Criegee Intermediate with Aldehydes and Ketones

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

Jalan, Amrit; Allen, Joshua W.; Green, William H.

Reactions of the Criegee intermediate (CI, .CH2OO.) are important in atmospheric ozonolysis models. In this work, we compute the rates for reactions between .CH2OO. and HCHO, CH3CHO and CH3COCH3 leading to the formation of secondary ozonides (SOZ) and organic acids. Relative to infinitely separated reactants, the SOZ in all three cases is found to be 48–51 kcal mol-1 lower in energy, formed via 1,3- cycloaddition of .CH2OO. across the CQO bond. The lowest energy pathway found for SOZ decomposition is intramolecular disproportionation of the singlet biradical intermediate formed from cleavage of the O–O bond to form hydroxyalkyl esters. These hydroxyalkylmore » esters undergo concerted decomposition providing a low energy pathway from SOZ to acids. Geometries and frequencies of all stationary points were obtained using the B3LYP/MG3S DFT model chemistry, and energies were refined using RCCSD(T)-F12a/cc-pVTZ-F12 single-point calculations. RRKM calculations were used to obtain microcanonical rate coefficients (k(E)) and the reservoir state method was used to obtain temperature and pressure dependent rate coefficients (k(T, P)) and product branching ratios. At atmospheric pressure, the yield of collisionally stabilized SOZ was found to increase in the order HCHO o CH3CHO o CH3COCH3 (the highest yield being 10-4 times lower than the initial .CH2OO. concentration). At low pressures, chemically activated formation of organic acids (formic acid in the case of HCHO and CH3COCH3, formic and acetic acid in the case of CH3CHO) was found to be the major product channel in agreement with recent direct measurements. Collisional energy transfer parameters and the barrier heights for SOZ reactions were found to be the most sensitive parameters determining SOZ and organic acid yield.« less

Estimating Bat and Bird Mortality Occurring at Wind Energy Turbines from Covariates and Carcass Searches Using Mixture Models

PubMed Central

Korner-Nievergelt, Fränzi; Brinkmann, Robert; Niermann, Ivo; Behr, Oliver

2013-01-01

Environmental impacts of wind energy facilities increasingly cause concern, a central issue being bats and birds killed by rotor blades. Two approaches have been employed to assess collision rates: carcass searches and surveys of animals prone to collisions. Carcass searches can provide an estimate for the actual number of animals being killed but they offer little information on the relation between collision rates and, for example, weather parameters due to the time of death not being precisely known. In contrast, a density index of animals exposed to collision is sufficient to analyse the parameters influencing the collision rate. However, quantification of the collision rate from animal density indices (e.g. acoustic bat activity or bird migration traffic rates) remains difficult. We combine carcass search data with animal density indices in a mixture model to investigate collision rates. In a simulation study we show that the collision rates estimated by our model were at least as precise as conventional estimates based solely on carcass search data. Furthermore, if certain conditions are met, the model can be used to predict the collision rate from density indices alone, without data from carcass searches. This can reduce the time and effort required to estimate collision rates. We applied the model to bat carcass search data obtained at 30 wind turbines in 15 wind facilities in Germany. We used acoustic bat activity and wind speed as predictors for the collision rate. The model estimates correlated well with conventional estimators. Our model can be used to predict the average collision rate. It enables an analysis of the effect of parameters such as rotor diameter or turbine type on the collision rate. The model can also be used in turbine-specific curtailment algorithms that predict the collision rate and reduce this rate with a minimal loss of energy production. PMID:23844144

Estimating bat and bird mortality occurring at wind energy turbines from covariates and carcass searches using mixture models.

PubMed

Korner-Nievergelt, Fränzi; Brinkmann, Robert; Niermann, Ivo; Behr, Oliver

2013-01-01

Environmental impacts of wind energy facilities increasingly cause concern, a central issue being bats and birds killed by rotor blades. Two approaches have been employed to assess collision rates: carcass searches and surveys of animals prone to collisions. Carcass searches can provide an estimate for the actual number of animals being killed but they offer little information on the relation between collision rates and, for example, weather parameters due to the time of death not being precisely known. In contrast, a density index of animals exposed to collision is sufficient to analyse the parameters influencing the collision rate. However, quantification of the collision rate from animal density indices (e.g. acoustic bat activity or bird migration traffic rates) remains difficult. We combine carcass search data with animal density indices in a mixture model to investigate collision rates. In a simulation study we show that the collision rates estimated by our model were at least as precise as conventional estimates based solely on carcass search data. Furthermore, if certain conditions are met, the model can be used to predict the collision rate from density indices alone, without data from carcass searches. This can reduce the time and effort required to estimate collision rates. We applied the model to bat carcass search data obtained at 30 wind turbines in 15 wind facilities in Germany. We used acoustic bat activity and wind speed as predictors for the collision rate. The model estimates correlated well with conventional estimators. Our model can be used to predict the average collision rate. It enables an analysis of the effect of parameters such as rotor diameter or turbine type on the collision rate. The model can also be used in turbine-specific curtailment algorithms that predict the collision rate and reduce this rate with a minimal loss of energy production.

Chili pepper as a body weight-loss food.

PubMed

Varghese, Sharon; Kubatka, Peter; Rodrigo, Luis; Gazdikova, Katarina; Caprnda, Martin; Fedotova, Julia; Zulli, Anthony; Kruzliak, Peter; Büsselberg, Dietrich

2017-06-01

Chili has culinary as well as medical importance. Studies in humans, using a wide range of doses of chili intake (varying from a single meal to a continuous uptake for up to 12 weeks), concluded that it facilitates weight loss. In regard to this, the main targets of chili are fat metabolism, energy expenditure, and thermogenesis. To induce weight loss, the active substance of chili, capsaicin, activates Transient Receptor Potential Cation Channel sub-family V member 1 (TRPV1) channels) receptors causing an increase in intracellular calcium levels and triggering the sympathetic nervous system. Apart from TRPV1, chili directly reduces energy expenditure by activating Brown Adipose Tissue. Weight loss by chili is also the result of an improved control of insulin, which supports weight management and has positive effects for treatment for diseases like obesity, diabetes and cardiovascular disorders. This review summarizes the major pathways by which chili contributes to ameliorating parameters that help weight management and how the consumption of chili can help in accelerating weight loss through dietary modifications.

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

Xiong, L. H.; Wang, X. D.; Yu, Q.

Temperature-dependent atomistic structure evolution of liquid gallium (Ga) has been investigated by using in situ high energy X-ray diffraction experiment and ab initio molecular dynamics simulation. Both experimental and theoretical results reveal the existence of a liquid structural change around 1000 K in liquid Ga. Below and above this temperature the liquid exhibits differences in activation energy for selfdiffusion, temperature-dependent heat capacity, coordination numbers, density, viscosity, electric resistivity and thermoelectric power, which are reflected from structural changes of the bond-orientational order parameter Q6, fraction of covalent dimers, averaged string length and local atomic packing. This finding will trigger more studiesmore » on the liquid-to-liquid crossover in metallic melts.« less

Review of simulation techniques for Aquifer Thermal Energy Storage (ATES)

NASA Astrophysics Data System (ADS)

Mercer, J. W.; Faust, C. R.; Miller, W. J.; Pearson, F. J., Jr.

1981-03-01

The analysis of aquifer thermal energy storage (ATES) systems rely on the results from mathematical and geochemical models. Therefore, the state-of-the-art models relevant to ATES were reviewed and evaluated. These models describe important processes active in ATES including ground-water flow, heat transport (heat flow), solute transport (movement of contaminants), and geochemical reactions. In general, available models of the saturated ground-water environment are adequate to address most concerns associated with ATES; that is, design, operation, and environmental assessment. In those cases where models are not adequate, development should be preceded by efforts to identify significant physical phenomena and relate model parameters to measurable quantities.

Replica exchange enveloping distribution sampling (RE-EDS): A robust method to estimate multiple free-energy differences from a single simulation.

PubMed

Sidler, Dominik; Schwaninger, Arthur; Riniker, Sereina

2016-10-21

In molecular dynamics (MD) simulations, free-energy differences are often calculated using free energy perturbation or thermodynamic integration (TI) methods. However, both techniques are only suited to calculate free-energy differences between two end states. Enveloping distribution sampling (EDS) presents an attractive alternative that allows to calculate multiple free-energy differences in a single simulation. In EDS, a reference state is simulated which "envelopes" the end states. The challenge of this methodology is the determination of optimal reference-state parameters to ensure equal sampling of all end states. Currently, the automatic determination of the reference-state parameters for multiple end states is an unsolved issue that limits the application of the methodology. To resolve this, we have generalised the replica-exchange EDS (RE-EDS) approach, introduced by Lee et al. [J. Chem. Theory Comput. 10, 2738 (2014)] for constant-pH MD simulations. By exchanging configurations between replicas with different reference-state parameters, the complexity of the parameter-choice problem can be substantially reduced. A new robust scheme to estimate the reference-state parameters from a short initial RE-EDS simulation with default parameters was developed, which allowed the calculation of 36 free-energy differences between nine small-molecule inhibitors of phenylethanolamine N-methyltransferase from a single simulation. The resulting free-energy differences were in excellent agreement with values obtained previously by TI and two-state EDS simulations.

A unitary convolution approximation for the impact-parameter dependent electronic energy loss

NASA Astrophysics Data System (ADS)

Schiwietz, G.; Grande, P. L.

1999-06-01

In this work, we propose a simple method to calculate the impact-parameter dependence of the electronic energy loss of bare ions for all impact parameters. This perturbative convolution approximation (PCA) is based on first-order perturbation theory, and thus, it is only valid for fast particles with low projectile charges. Using Bloch's stopping-power result and a simple scaling, we get rid of the restriction to low charge states and derive the unitary convolution approximation (UCA). Results of the UCA are then compared with full quantum-mechanical coupled-channel calculations for the impact-parameter dependent electronic energy loss.

A method for energy window optimization for quantitative tasks that includes the effects of model-mismatch on bias: application to Y-90 bremsstrahlung SPECT imaging.

PubMed

Rong, Xing; Du, Yong; Frey, Eric C

2012-06-21

Quantitative Yttrium-90 ((90)Y) bremsstrahlung single photon emission computed tomography (SPECT) imaging has shown great potential to provide reliable estimates of (90)Y activity distribution for targeted radionuclide therapy dosimetry applications. One factor that potentially affects the reliability of the activity estimates is the choice of the acquisition energy window. In contrast to imaging conventional gamma photon emitters where the acquisition energy windows are usually placed around photopeaks, there has been great variation in the choice of the acquisition energy window for (90)Y imaging due to the continuous and broad energy distribution of the bremsstrahlung photons. In quantitative imaging of conventional gamma photon emitters, previous methods for optimizing the acquisition energy window assumed unbiased estimators and used the variance in the estimates as a figure of merit (FOM). However, for situations, such as (90)Y imaging, where there are errors in the modeling of the image formation process used in the reconstruction there will be bias in the activity estimates. In (90)Y bremsstrahlung imaging this will be especially important due to the high levels of scatter, multiple scatter, and collimator septal penetration and scatter. Thus variance will not be a complete measure of reliability of the estimates and thus is not a complete FOM. To address this, we first aimed to develop a new method to optimize the energy window that accounts for both the bias due to model-mismatch and the variance of the activity estimates. We applied this method to optimize the acquisition energy window for quantitative (90)Y bremsstrahlung SPECT imaging in microsphere brachytherapy. Since absorbed dose is defined as the absorbed energy from the radiation per unit mass of tissues in this new method we proposed a mass-weighted root mean squared error of the volume of interest (VOI) activity estimates as the FOM. To calculate this FOM, two analytical expressions were derived for calculating the bias due to model-mismatch and the variance of the VOI activity estimates, respectively. To obtain the optimal acquisition energy window for general situations of interest in clinical (90)Y microsphere imaging, we generated phantoms with multiple tumors of various sizes and various tumor-to-normal activity concentration ratios using a digital phantom that realistically simulates human anatomy, simulated (90)Y microsphere imaging with a clinical SPECT system and typical imaging parameters using a previously validated Monte Carlo simulation code, and used a previously proposed method for modeling the image degrading effects in quantitative SPECT reconstruction. The obtained optimal acquisition energy window was 100-160 keV. The values of the proposed FOM were much larger than the FOM taking into account only the variance of the activity estimates, thus demonstrating in our experiment that the bias of the activity estimates due to model-mismatch was a more important factor than the variance in terms of limiting the reliability of activity estimates.

Pressure induced structural transitions in Lead Chalcogenides and its influence on thermoelectric properties

NASA Astrophysics Data System (ADS)

Petersen, John; Spinks, Michael; Borges, Pablo; Scolfaro, Luisa

2012-03-01

Lead chalcogenides, most notably PbTe and PbSe, have become an active area of research due to their thermoelectric (TE) properties. The high figure of merit (ZT) of these materials has brought much attention to them, due to their ability to convert waste heat into electricity, with a possible application being in engine exhaust. Here, we examine the effects of altering the lattice parameter on total ground state energy and the band gap using first principles calculations performed within Density Functional Theory and the Projector Augmented Wave approach and the Vienna Ab-initio Simulation Package (VASP-PAW) code. Both PbTe and PbSe, in NaCl, orthorhombic, and CsCl structures are considered. It is found that altering the lattice parameter, which is analogous to applying external pressure on the material experimentally, has notable effects on both ground state energy and the band gap. The implications of this behavior in the TE properties of these materials are analyzed.

The influence of high shear mixing on ternary dry powder inhaler formulations.

PubMed

Hertel, Mats; Schwarz, Eugen; Kobler, Mirjam; Hauptstein, Sabine; Steckel, Hartwig; Scherließ, Regina

2017-12-20

The blending process is a key step in the production of dry powder inhaler formulations, but only little is known about the influence of process parameters. This is especially true for high shear blending of ternary formulations. For this reason, this study aims to investigate the influence of high shear mixing process parameters (mixing time and rotation speed) on the fine particle fraction (FPF) of ternary mixtures when using budesonide as model drug, two different carrier materials and two different mixing orders. Prolonged mixing time and higher rotation speeds led to lower FPFs, possibly due to higher press-on forces acting on the active pharmaceutical ingredients (API). In addition, a clear correlation between the energy consumption of the blender (the energy input into the blend) and the reduction of the FPF could be shown. Furthermore blending the carrier and the fines before adding the API was also found to be favorable. Copyright © 2017 Elsevier B.V. All rights reserved.

Theory for plasticity of face-centered cubic metals.

PubMed

Jo, Minho; Koo, Yang Mo; Lee, Byeong-Joo; Johansson, Börje; Vitos, Levente; Kwon, Se Kyun

2014-05-06

The activation of plastic deformation mechanisms determines the mechanical behavior of crystalline materials. However, the complexity of plastic deformation and the lack of a unified theory of plasticity have seriously limited the exploration of the full capacity of metals. Current efforts to design high-strength structural materials in terms of stacking fault energy have not significantly reduced the laborious trial and error works on basic deformation properties. To remedy this situation, here we put forward a comprehensive and transparent theory for plastic deformation of face-centered cubic metals. This is based on a microscopic analysis that, without ambiguity, reveals the various deformation phenomena and elucidates the physical fundaments of the currently used phenomenological correlations. We identify an easily accessible single parameter derived from the intrinsic energy barriers, which fully specifies the potential diversity of metals. Based entirely on this parameter, a simple deformation mode diagram is shown to delineate a series of convenient design criteria, which clarifies a wide area of material functionality by texture control.

Theory for plasticity of face-centered cubic metals

PubMed Central

Jo, Minho; Koo, Yang Mo; Lee, Byeong-Joo; Johansson, Börje; Vitos, Levente; Kwon, Se Kyun

2014-01-01

The activation of plastic deformation mechanisms determines the mechanical behavior of crystalline materials. However, the complexity of plastic deformation and the lack of a unified theory of plasticity have seriously limited the exploration of the full capacity of metals. Current efforts to design high-strength structural materials in terms of stacking fault energy have not significantly reduced the laborious trial and error works on basic deformation properties. To remedy this situation, here we put forward a comprehensive and transparent theory for plastic deformation of face-centered cubic metals. This is based on a microscopic analysis that, without ambiguity, reveals the various deformation phenomena and elucidates the physical fundaments of the currently used phenomenological correlations. We identify an easily accessible single parameter derived from the intrinsic energy barriers, which fully specifies the potential diversity of metals. Based entirely on this parameter, a simple deformation mode diagram is shown to delineate a series of convenient design criteria, which clarifies a wide area of material functionality by texture control. PMID:24753563

The effect of vocal and instrumental music on cardio respiratory variables, energy expenditure and exertion levels during sub maximal treadmill exercise.

PubMed

Savitha, D; Sejil, T V; Rao, Shwetha; Roshan, C J; Roshan, C J

2013-01-01

The purpose of the study was to investigate the effect of vocal and instrumental music on various physiological parameters during submaximal exercise. Each subject underwent three sessions of exercise protocol without music, with vocal music, and instrumental versions of same piece of music. The protocol consisted of 10 min treadmill exercise at 70% HR(max) and 20 min of recovery. Minute to minute heart rate and breath by breath recording of respiratory parameters, rate of energy expenditure and perceived exertion levels were measured. Music, irrespective of the presence or absence of lyrics, enabled the subjects to exercise at a significantly lower heart rate and oxygen consumption, reduced the metabolic cost and perceived exertion levels of exercise (P < 0.05). There was faster recovery of systolic and diastolic blood pressures and exertion levels during the post exercise period. Music having a relaxant effect could have probably increased the parasympathetic activation leading to these effects.

Early Thermal History of Rhea: The Role of Serpentinization and Liquid State Convection

NASA Astrophysics Data System (ADS)

Czechowski, Leszek; Łosiak, Anna

2016-12-01

Early thermal history of Rhea is investigated. The role of the following parameters of the model is investigated: time of beginning of accretion, tini, duration of accretion, tac, viscosity of ice close to the melting point, η0, activation energy in the formula for viscosity, E, thermal conductivity of silicate component, ksil, ammonia content, XNH3, and energy of serpentinization, cserp. We found that tini and tac are crucial for evolution. All other parameters are also important, but no dramatic differences are found for realistic values. The process of differentiation is also investigated. It is found that liquid state convection could delay the differentiation for hundreds of My. The results are confronted with observational data from Cassini spacecraft. It is possible that differentiation is fully completed but the density of formed core is close to the mean density. If this interpretation is correct, then Rhea could have accreted any time before 3-4 My after formation of CAI.

Reduction of Energy Consumption for Air Conditioning While Maintaining Acceptable Human Comfort.

DTIC Science & Technology

1988-04-01

Fanger, 1972). It is not always possible, or, practical, to obtain optimi thermal comfort conditions. Therefore Frofessor Fanger devised an index to...understand the complex interaction of the six key variables that affect human comfort. Thermal comfort is not exclusively a function of air temperature... Thermal comfort also depends on five other, less obvious, parameters: mean radiant temperature, relative air velocity, humidity, activity level, and